==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 05-MAR-10 2X85 . COMPND 2 MOLECULE: TAILSPIKE PROTEIN HK620; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA 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) . 23761.0 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 . 200 33.5 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 . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 3.9 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 . 2 8 19 11 4 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 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 2 1 0 0 0 0 0 0 1 0 1 0 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 0 204 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -30.4 -5.8 -36.8 -24.8 2 114 A F H > + 0 0 140 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.894 360.0 54.3 -64.8 -44.1 -5.0 -39.5 -22.2 3 115 A R H > S+ 0 0 182 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.904 106.2 52.1 -56.9 -43.8 -1.6 -37.9 -21.5 4 116 A A H > S+ 0 0 64 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.906 110.4 48.1 -61.3 -42.8 -3.2 -34.5 -20.8 5 117 A I H >< S+ 0 0 55 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.946 110.5 51.9 -60.8 -48.0 -5.6 -36.2 -18.3 6 118 A I H 3< S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.2 43.2 -62.6 -38.0 -2.7 -38.0 -16.6 7 119 A E H 3< S+ 0 0 138 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.589 100.4 89.9 -82.8 -12.5 -0.6 -34.8 -16.2 8 120 A S S X< S- 0 0 38 -4,-1.0 3,-1.8 -3,-0.8 4,-0.3 -0.266 99.9 -98.9 -73.2 168.7 -3.7 -32.8 -15.0 9 121 A P T 3 S+ 0 0 139 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.679 126.2 57.7 -64.3 -15.3 -4.7 -32.6 -11.3 10 122 A E T > S+ 0 0 137 -5,-0.2 3,-0.8 1,-0.2 21,-0.1 0.361 78.3 101.6 -89.5 2.8 -7.3 -35.4 -12.1 11 123 A G G X S+ 0 0 2 -3,-1.8 3,-2.3 1,-0.3 4,-0.4 0.903 75.9 51.9 -54.6 -50.1 -4.5 -37.7 -13.3 12 124 A A G > S+ 0 0 35 1,-0.3 19,-1.7 -4,-0.3 3,-0.8 0.760 101.2 65.5 -61.0 -27.2 -4.2 -39.8 -10.2 13 125 A G G < S+ 0 0 28 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.371 102.2 48.1 -74.4 1.8 -8.0 -40.3 -10.5 14 126 A H G < S+ 0 0 85 -3,-2.3 2,-0.6 -8,-0.1 -1,-0.2 0.377 88.9 91.3-117.8 -3.4 -7.5 -42.2 -13.7 15 127 A V S < S- 0 0 67 -3,-0.8 15,-2.7 -4,-0.4 16,-0.2 -0.860 75.0-134.0 -96.8 117.1 -4.7 -44.6 -12.5 16 128 A G E -A 29 0A 53 -2,-0.6 2,-0.3 13,-0.2 13,-0.3 -0.326 24.5-177.6 -77.0 153.3 -6.2 -47.8 -11.2 17 129 A Y E -A 28 0A 87 11,-2.6 11,-3.1 -2,-0.0 2,-0.4 -0.993 14.3-176.3-149.0 139.7 -5.3 -49.5 -8.0 18 130 A Q > - 0 0 56 -2,-0.3 3,-1.9 9,-0.2 9,-0.1 -0.978 44.4-100.0-135.6 128.1 -6.2 -52.7 -6.2 19 131 A Y G > S- 0 0 116 7,-0.5 3,-2.9 -2,-0.4 6,-0.2 -0.208 94.5 -23.8 -53.5 118.5 -4.7 -53.4 -2.8 20 132 A R G 3 S- 0 0 188 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.676 113.2 -71.3 51.2 30.1 -1.9 -55.9 -3.0 21 133 A R G < S+ 0 0 213 -3,-1.9 2,-0.7 1,-0.2 -1,-0.3 0.708 86.0 162.1 58.3 23.4 -3.3 -57.3 -6.3 22 134 A N X - 0 0 79 -3,-2.9 3,-2.1 1,-0.2 -1,-0.2 -0.638 33.9-155.7 -74.7 113.9 -6.1 -58.8 -4.2 23 135 A T T 3 S+ 0 0 129 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.707 94.6 59.5 -67.1 -15.5 -8.9 -59.6 -6.7 24 136 A G T 3 S+ 0 0 68 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.494 91.8 94.7 -83.8 -6.9 -11.3 -59.4 -3.7 25 137 A S S < S- 0 0 29 -3,-2.1 -5,-0.0 -6,-0.2 0, 0.0 -0.488 88.9 -83.6 -87.4 160.8 -10.3 -55.8 -3.0 26 138 A T - 0 0 102 -2,-0.2 2,-1.0 1,-0.1 -7,-0.5 -0.299 35.1-126.1 -61.7 135.4 -12.0 -52.6 -4.2 27 139 A M + 0 0 163 -9,-0.1 -9,-0.2 -3,-0.1 2,-0.2 -0.820 51.5 162.4 -82.2 104.6 -11.1 -51.5 -7.6 28 140 A R E -A 17 0A 66 -11,-3.1 -11,-2.6 -2,-1.0 2,-0.3 -0.528 38.4-113.9-115.1 178.5 -10.0 -47.9 -6.8 29 141 A M E >> -A 16 0A 69 -13,-0.3 4,-1.2 -2,-0.2 3,-1.1 -0.867 31.9-112.5-111.5 155.8 -8.0 -45.1 -8.3 30 142 A V H 3> S+ 0 0 46 -15,-2.7 4,-2.2 -18,-0.6 3,-0.4 0.887 116.8 59.9 -53.5 -40.1 -4.7 -43.8 -6.9 31 143 A S H 3> S+ 0 0 27 -19,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.835 99.0 57.9 -60.0 -32.9 -6.3 -40.5 -5.9 32 144 A D H <4 S+ 0 0 67 -3,-1.1 4,-0.3 -20,-0.2 -1,-0.2 0.904 108.8 44.7 -62.0 -43.9 -8.8 -42.4 -3.7 33 145 A V H >< S+ 0 0 40 -4,-1.2 3,-1.5 -3,-0.4 -2,-0.2 0.928 113.8 48.6 -68.5 -44.3 -6.0 -43.9 -1.7 34 146 A L H >< S+ 0 0 89 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.819 103.0 63.9 -62.5 -33.0 -4.1 -40.5 -1.4 35 147 A D T 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.601 83.6 77.7 -67.3 -14.2 -7.4 -38.9 -0.3 36 148 A E T < S+ 0 0 134 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.628 101.0 40.1 -69.7 -17.2 -7.3 -41.1 2.8 37 149 A R < - 0 0 117 -3,-1.5 2,-0.3 -4,-0.2 42,-0.1 -0.863 69.2-167.1-126.4 165.2 -4.7 -38.7 4.3 38 150 A V E +b 79 0B 29 40,-0.5 42,-2.0 -2,-0.3 2,-0.3 -0.986 5.5 179.8-154.3 139.5 -4.3 -35.0 4.2 39 151 A S E > -b 80 0B 12 -2,-0.3 3,-1.8 40,-0.2 4,-0.2 -0.895 47.1 -98.0-136.3 168.5 -1.5 -32.6 5.1 40 152 A L G >> S+ 0 0 2 40,-2.3 3,-2.2 -2,-0.3 4,-1.4 0.811 116.7 70.6 -56.0 -30.2 -0.8 -28.9 5.1 41 153 A W G 34 S+ 0 0 70 1,-0.3 -1,-0.3 39,-0.3 11,-0.1 0.779 87.8 64.7 -58.6 -27.3 0.9 -29.3 1.7 42 154 A D G <4 S+ 0 0 75 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.561 117.7 24.2 -73.0 -8.8 -2.5 -29.9 0.2 43 155 A F T <4 S+ 0 0 42 -3,-2.2 2,-1.7 -4,-0.2 -2,-0.2 0.420 94.0 97.0-129.9 -5.3 -3.5 -26.4 1.1 44 156 A H < + 0 0 0 -4,-1.4 8,-2.6 5,-0.1 2,-0.3 -0.533 65.1 113.8 -93.5 68.3 -0.2 -24.5 1.2 45 157 A C B -Y 51 0C 40 -2,-1.7 6,-0.2 6,-0.3 -3,-0.0 -0.923 65.9-109.4-140.9 159.3 -0.4 -23.1 -2.3 46 158 A D > - 0 0 53 4,-2.8 3,-2.5 -2,-0.3 6,-0.0 -0.233 51.9 -86.0 -82.5 176.8 -0.8 -19.9 -4.2 47 159 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.711 129.9 55.6 -62.2 -20.3 -4.0 -18.9 -6.1 48 160 A S T 3 S- 0 0 101 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.290 122.5-105.9 -90.2 7.8 -2.8 -20.9 -9.2 49 161 A G S < S+ 0 0 53 -3,-2.5 2,-0.5 1,-0.3 -5,-0.1 0.565 71.9 145.5 81.8 9.0 -2.4 -24.0 -7.1 50 162 A N - 0 0 95 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.710 54.1-112.1 -83.5 131.5 1.4 -23.9 -7.0 51 163 A V B -Y 45 0C 83 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.3 -0.224 26.9-146.3 -62.6 145.4 2.9 -25.1 -3.7 52 164 A I - 0 0 37 -8,-2.6 -1,-0.1 -11,-0.1 -8,-0.0 -0.958 12.8-127.3-114.7 130.5 4.6 -22.5 -1.5 53 165 A Q - 0 0 106 -2,-0.4 2,-0.0 1,-0.1 -8,-0.0 -0.620 28.6-123.5 -74.0 132.3 7.6 -23.4 0.6 54 166 A P + 0 0 22 0, 0.0 33,-0.1 0, 0.0 32,-0.1 -0.335 49.2 131.7 -71.9 163.6 7.1 -22.4 4.2 55 167 A G S > S- 0 0 15 3,-0.4 3,-2.1 33,-0.1 33,-0.3 -0.939 70.0 -68.1 165.8 173.8 9.7 -20.1 5.9 56 168 A P T 3 S+ 0 0 82 0, 0.0 31,-0.0 0, 0.0 -1,-0.0 0.636 129.9 47.6 -65.1 -14.9 10.2 -16.9 8.0 57 169 A N T 3 S+ 0 0 161 64,-0.1 2,-0.5 2,-0.0 33,-0.0 0.264 99.8 81.6-107.1 7.3 8.9 -14.7 5.1 58 170 A V < - 0 0 36 -3,-2.1 2,-0.7 -6,-0.0 -3,-0.4 -0.965 68.4-147.0-116.4 128.2 5.8 -16.9 4.5 59 171 A D - 0 0 48 -2,-0.5 3,-0.3 1,-0.1 4,-0.2 -0.847 14.7-177.0 -91.0 110.0 2.6 -16.6 6.5 60 172 A S > + 0 0 1 28,-3.0 4,-2.1 -2,-0.7 3,-0.4 0.482 54.6 99.7 -87.2 -1.8 1.1 -20.1 6.7 61 173 A R H > S+ 0 0 42 27,-0.3 4,-2.5 1,-0.2 5,-0.2 0.889 80.2 47.5 -56.7 -50.4 -2.0 -19.1 8.6 62 174 A Q H > S+ 0 0 105 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.847 112.9 50.4 -62.3 -32.9 -4.5 -18.9 5.7 63 175 A Y H > S+ 0 0 33 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.910 110.9 47.3 -73.1 -42.3 -3.4 -22.3 4.3 64 176 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 113.5 49.4 -65.6 -40.6 -3.7 -24.1 7.7 65 177 A Q H X S+ 0 0 19 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.907 108.4 52.3 -64.0 -42.7 -7.1 -22.5 8.2 66 178 A A H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 109.8 50.8 -58.6 -40.9 -8.2 -23.6 4.7 67 179 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.944 112.7 44.8 -62.1 -48.8 -7.1 -27.1 5.5 68 180 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 113.5 49.8 -59.7 -48.0 -9.1 -27.2 8.8 69 181 A D H X S+ 0 0 62 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.914 113.5 46.7 -59.1 -45.0 -12.2 -25.7 7.2 70 182 A Y H X S+ 0 0 133 -4,-2.2 4,-0.6 -5,-0.2 3,-0.2 0.944 113.3 45.6 -65.7 -50.5 -12.1 -28.2 4.4 71 183 A V H ><>S+ 0 0 12 -4,-2.6 5,-2.2 1,-0.2 3,-1.2 0.891 109.1 58.2 -62.4 -37.8 -11.6 -31.3 6.5 72 184 A S H ><5S+ 0 0 42 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.905 99.1 59.3 -54.4 -41.7 -14.3 -30.0 8.9 73 185 A S H 3<5S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.666 102.7 52.7 -65.6 -19.2 -16.8 -30.0 5.9 74 186 A N T <<5S- 0 0 112 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.174 129.3 -92.0-100.5 16.3 -16.2 -33.7 5.4 75 187 A G T < 5S- 0 0 58 -3,-1.9 -3,-0.2 33,-0.1 -2,-0.1 0.554 77.6 -69.7 84.9 9.9 -17.0 -34.6 9.0 76 188 A G < + 0 0 23 -5,-2.2 2,-0.3 -6,-0.2 34,-0.3 -0.418 52.9 169.7 108.3-180.0 -13.4 -34.5 10.2 77 189 A G E - 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