==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 22-FEB-10 2X6X . COMPND 2 MOLECULE: TAILSPIKE PROTEIN HK620; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA PHAGE HK620; . AUTHOR N.K.LORENZEN,J.J.MUELLER,U.HEINEMANN,R.SECKLER,S.BARBIRZ . 598 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 201 33.6 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 . 60 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 4.2 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 0 1 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 1 112 A D > 0 0 102 0, 0.0 4,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.7 31.0 -20.3 -26.8 2 113 A Q H > + 0 0 163 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.903 360.0 47.3 -70.6 -45.8 29.1 -23.1 -25.1 3 114 A F H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 109.5 55.5 -62.3 -42.7 31.8 -23.8 -22.5 4 115 A R H > S+ 0 0 174 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 105.1 53.5 -53.7 -44.9 32.0 -20.1 -21.8 5 116 A A H X S+ 0 0 62 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.902 110.8 45.1 -59.4 -44.5 28.2 -20.0 -21.1 6 117 A I H >< S+ 0 0 51 -4,-1.7 3,-0.7 2,-0.2 5,-0.2 0.936 112.7 50.7 -65.5 -46.5 28.5 -22.8 -18.6 7 118 A I H 3< S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.1 45.4 -62.1 -36.2 31.6 -21.3 -16.9 8 119 A E H 3< S+ 0 0 147 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.614 100.9 88.1 -83.4 -11.4 29.9 -17.9 -16.5 9 120 A S S X< S- 0 0 40 -4,-0.8 3,-2.1 -3,-0.7 4,-0.3 -0.265 100.2 -97.6 -77.9 169.9 26.6 -19.5 -15.3 10 121 A P T 3 S+ 0 0 138 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.670 126.8 56.9 -61.9 -15.6 25.9 -20.2 -11.6 11 122 A E T > S+ 0 0 138 -5,-0.2 3,-0.7 1,-0.2 21,-0.1 0.359 77.3 102.0 -93.3 4.8 27.0 -23.8 -12.3 12 123 A G G X S+ 0 0 3 -3,-2.1 3,-2.0 1,-0.2 4,-0.3 0.894 76.2 53.5 -54.2 -46.4 30.4 -22.6 -13.6 13 124 A A G > S+ 0 0 34 1,-0.3 19,-1.6 -4,-0.3 3,-1.0 0.785 100.4 63.9 -61.7 -28.8 32.2 -23.5 -10.4 14 125 A G G < S+ 0 0 29 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.378 102.4 49.9 -75.9 2.7 30.8 -27.1 -10.7 15 126 A H G < S+ 0 0 87 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.2 0.347 88.2 90.6-118.2 -0.5 32.8 -27.5 -14.0 16 127 A V S < S- 0 0 63 -3,-1.0 15,-2.5 -4,-0.3 16,-0.2 -0.889 74.6-135.3-100.6 116.0 36.2 -26.4 -12.8 17 128 A G E -A 30 0A 54 -2,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.303 24.1-178.6 -74.7 153.4 38.2 -29.4 -11.4 18 129 A Y E -A 29 0A 89 11,-2.5 11,-3.2 9,-0.0 2,-0.4 -0.990 14.2-176.4-150.9 140.9 40.2 -29.4 -8.2 19 130 A Q > - 0 0 57 -2,-0.3 3,-2.2 9,-0.2 9,-0.1 -0.960 44.5 -99.2-141.3 123.7 42.4 -31.8 -6.4 20 131 A Y G > S- 0 0 122 7,-0.5 3,-2.8 -2,-0.4 6,-0.2 -0.169 94.2 -25.2 -52.1 119.2 43.8 -30.9 -3.0 21 132 A R G 3 S- 0 0 202 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.675 111.2 -73.5 49.9 29.5 47.4 -29.7 -3.3 22 133 A R G < S+ 0 0 225 -3,-2.2 2,-0.5 1,-0.2 -1,-0.3 0.734 82.6 166.1 57.5 25.3 47.8 -31.7 -6.5 23 134 A N X - 0 0 80 -3,-2.8 3,-2.0 1,-0.2 -1,-0.2 -0.627 34.5-148.1 -74.4 119.4 47.9 -34.9 -4.4 24 135 A T T 3 S+ 0 0 135 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.808 97.7 52.5 -59.2 -30.5 47.4 -37.8 -6.7 25 136 A G T 3 S+ 0 0 69 2,-0.1 -1,-0.3 -6,-0.0 2,-0.1 0.454 92.1 99.5 -86.6 -2.1 45.6 -39.7 -3.9 26 137 A S S < S- 0 0 31 -3,-2.0 2,-0.1 -6,-0.2 -5,-0.0 -0.454 85.2 -83.3 -84.7 162.2 43.1 -36.9 -3.2 27 138 A T - 0 0 102 -2,-0.1 2,-1.0 1,-0.1 -7,-0.5 -0.330 33.5-127.3 -65.7 135.1 39.6 -36.6 -4.4 28 139 A M + 0 0 159 -9,-0.1 -9,-0.2 -3,-0.1 2,-0.2 -0.783 50.6 163.0 -83.8 103.4 39.0 -35.3 -7.9 29 140 A R E -A 18 0A 66 -11,-3.2 -11,-2.5 -2,-1.0 2,-0.3 -0.464 38.5-113.2-114.1 178.4 36.5 -32.5 -7.0 30 141 A M E >> -A 17 0A 66 -13,-0.3 4,-1.2 -2,-0.2 3,-1.1 -0.891 30.9-115.3-111.8 152.5 34.9 -29.4 -8.5 31 142 A V H >> S+ 0 0 48 -15,-2.5 4,-2.4 -18,-0.6 3,-0.5 0.896 116.1 60.4 -52.1 -42.5 35.5 -25.9 -7.1 32 143 A S H 3> S+ 0 0 28 -19,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.842 99.3 56.8 -54.1 -38.3 31.8 -25.7 -6.2 33 144 A D H <4 S+ 0 0 69 -3,-1.1 -1,-0.2 -20,-0.2 4,-0.2 0.886 109.4 44.6 -61.5 -41.5 32.2 -28.8 -3.9 34 145 A V H X< S+ 0 0 41 -4,-1.2 3,-1.6 -3,-0.5 4,-0.2 0.926 113.5 49.2 -71.1 -44.0 34.9 -27.1 -1.9 35 146 A L H >< S+ 0 0 91 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.841 103.1 63.3 -61.6 -32.4 33.0 -23.8 -1.7 36 147 A D T 3< S+ 0 0 118 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.563 83.4 78.6 -69.3 -10.3 30.0 -25.8 -0.6 37 148 A E T < S+ 0 0 135 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.632 101.0 38.5 -71.8 -17.4 31.9 -26.8 2.6 38 149 A R < - 0 0 115 -3,-1.5 2,-0.3 -4,-0.2 42,-0.1 -0.843 69.0-167.0-128.0 168.4 31.1 -23.4 4.1 39 150 A V + 0 0 30 40,-0.5 42,-1.9 -2,-0.3 2,-0.3 -0.972 6.0 179.5-158.9 137.5 28.1 -21.1 4.0 40 151 A S B > -b 81 0B 14 -2,-0.3 3,-1.8 40,-0.2 4,-0.2 -0.869 47.8 -96.3-135.8 170.7 27.4 -17.5 4.9 41 152 A L G >> S+ 0 0 2 40,-2.3 3,-2.0 -2,-0.3 4,-1.3 0.790 117.1 71.4 -56.9 -28.9 24.6 -15.0 4.9 42 153 A W G 34 S+ 0 0 70 1,-0.3 -1,-0.3 39,-0.3 11,-0.1 0.755 87.4 64.4 -60.1 -23.7 25.9 -13.8 1.5 43 154 A D G <4 S+ 0 0 76 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.536 117.7 24.5 -78.4 -7.0 24.7 -17.1 -0.0 44 155 A F T <4 S+ 0 0 42 -3,-2.0 2,-1.7 -4,-0.2 -2,-0.2 0.408 93.2 97.9-131.3 -4.7 21.1 -16.1 0.8 45 156 A H < + 0 0 0 -4,-1.3 8,-2.9 5,-0.1 2,-0.3 -0.524 65.4 112.5 -93.3 69.5 21.1 -12.2 1.0 46 157 A C B -Y 52 0C 40 -2,-1.7 6,-0.2 6,-0.3 -3,-0.0 -0.898 65.6-107.7-142.1 162.2 19.9 -11.7 -2.6 47 158 A D > - 0 0 46 4,-2.4 3,-2.0 -2,-0.3 -1,-0.1 -0.181 52.3 -85.8 -82.7 178.8 16.9 -10.4 -4.6 48 159 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.713 130.6 54.0 -62.7 -20.0 14.4 -12.7 -6.5 49 160 A S T 3 S- 0 0 104 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.392 121.7-106.9 -90.0 0.1 16.8 -12.7 -9.5 50 161 A G S < S+ 0 0 52 -3,-2.0 2,-0.4 1,-0.3 -5,-0.1 0.542 70.2 145.5 86.6 8.1 19.7 -13.9 -7.3 51 162 A N - 0 0 99 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.3 -0.686 55.9-109.3 -79.5 131.0 21.6 -10.6 -7.3 52 163 A V B -Y 46 0C 81 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.241 29.0-146.0 -58.8 140.4 23.4 -10.0 -3.9 53 164 A I - 0 0 37 -8,-2.9 -1,-0.1 -11,-0.1 -8,-0.0 -0.942 12.8-127.9-108.7 133.6 21.9 -7.2 -1.8 54 165 A Q - 0 0 109 -2,-0.4 2,-0.0 1,-0.1 -8,-0.0 -0.644 26.8-122.9 -78.8 133.5 24.2 -5.0 0.4 55 166 A P + 0 0 20 0, 0.0 33,-0.1 0, 0.0 32,-0.1 -0.318 49.0 131.6 -69.7 165.4 23.1 -4.8 4.0 56 167 A G S > S- 0 0 7 3,-0.4 3,-2.4 33,-0.1 33,-0.3 -0.910 70.8 -72.7 163.8 171.1 22.4 -1.5 5.6 57 168 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.0 0, 0.0 31,-0.0 0.715 129.0 53.5 -61.0 -21.6 19.9 0.5 7.7 58 169 A N T 3 S+ 0 0 144 64,-0.1 2,-0.4 2,-0.0 64,-0.0 0.324 99.7 75.6 -93.9 1.3 17.6 0.7 4.7 59 170 A V < - 0 0 25 -3,-2.4 2,-0.8 -6,-0.0 -3,-0.4 -0.973 69.3-144.3-121.2 129.4 17.6 -3.2 4.2 60 171 A D - 0 0 47 -2,-0.4 3,-0.3 1,-0.1 4,-0.2 -0.837 16.0-176.3 -88.5 109.2 15.7 -5.8 6.3 61 172 A S >> + 0 0 1 28,-3.2 4,-2.1 -2,-0.8 3,-0.5 0.517 55.7 98.5 -84.3 -3.3 18.0 -8.8 6.4 62 173 A R H 3> S+ 0 0 43 27,-0.3 4,-2.6 1,-0.2 5,-0.2 0.889 79.5 47.9 -55.2 -53.1 15.6 -11.0 8.4 63 174 A Q H 3> S+ 0 0 110 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.832 112.9 50.3 -61.1 -32.3 14.1 -13.1 5.5 64 175 A Y H <> S+ 0 0 33 -3,-0.5 4,-2.0 -4,-0.2 -1,-0.2 0.904 110.8 47.2 -74.1 -41.4 17.5 -13.8 4.1 65 176 A L H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 112.7 50.5 -66.8 -39.9 19.0 -15.0 7.4 66 177 A Q H X S+ 0 0 20 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.896 108.0 52.5 -63.3 -39.5 15.9 -17.1 7.9 67 178 A A H X S+ 0 0 40 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.2 50.5 -63.6 -39.1 16.3 -18.7 4.5 68 179 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.950 112.9 44.9 -62.7 -49.4 19.9 -19.6 5.3 69 180 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 113.1 51.0 -60.6 -45.8 18.9 -21.2 8.6 70 181 A D H X S+ 0 0 60 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.908 113.1 45.9 -58.7 -43.4 16.0 -23.1 7.0 71 182 A Y H X S+ 0 0 125 -4,-2.4 4,-0.8 -5,-0.2 3,-0.2 0.947 113.0 46.6 -67.2 -49.8 18.2 -24.4 4.2 72 183 A V H ><>S+ 0 0 11 -4,-2.5 5,-2.2 1,-0.2 3,-1.0 0.896 108.7 58.1 -63.5 -36.5 21.1 -25.5 6.3 73 184 A S H ><5S+ 0 0 44 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.910 101.4 56.1 -53.5 -45.3 18.6 -27.2 8.7 74 185 A S H 3<5S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.684 103.6 54.3 -63.7 -23.1 17.3 -29.3 5.7 75 186 A N T <<5S- 0 0 107 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.225 128.8 -90.3 -95.3 12.8 20.8 -30.7 5.0 76 187 A G T < 5S- 0 0 60 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.483 77.9 -77.1 88.8 4.3 21.4 -32.0 8.6 77 188 A G < + 0 0 24 -5,-2.2 2,-0.3 -6,-0.2 34,-0.2 -0.405 52.9 170.0 105.1-177.7 22.9 -28.7 9.8 78 189 A G E - 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