==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 11-DEC-07 2VJJ . COMPND 2 MOLECULE: TAILSPIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE HK620; . AUTHOR J.J.MUELLER,S.BARBIRZ,C.UETRECHT,R.SECKLER,U.HEINEMANN . 598 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23995.0 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 . 202 33.8 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 . 58 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.9 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 4 17 10 4 3 1 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 1 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 1 112 A D > 0 0 98 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 101.7 1.3 36.8 -26.6 2 113 A Q H > + 0 0 161 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.938 360.0 49.5 -64.0 -50.7 4.7 36.2 -25.0 3 114 A F H > S+ 0 0 133 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.907 107.0 56.0 -55.9 -46.6 4.0 38.9 -22.3 4 115 A R H > S+ 0 0 163 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 107.5 49.6 -49.1 -49.0 0.6 37.3 -21.5 5 116 A A H < S+ 0 0 66 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.854 114.3 44.8 -60.6 -39.7 2.4 34.0 -20.9 6 117 A I H >< S+ 0 0 43 -4,-1.8 3,-0.8 2,-0.2 6,-0.3 0.937 113.8 48.0 -69.8 -50.0 4.9 35.7 -18.6 7 118 A I H 3< S+ 0 0 55 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.868 113.2 47.6 -63.2 -37.6 2.4 37.7 -16.6 8 119 A E T 3< S+ 0 0 140 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.601 100.2 88.1 -81.4 -9.6 0.1 34.7 -16.1 9 120 A S S X S- 0 0 35 -3,-0.8 3,-1.7 -4,-0.5 4,-0.3 -0.249 100.3 -98.2 -78.0 169.8 3.0 32.6 -15.0 10 121 A P T 3 S+ 0 0 130 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.589 127.0 58.1 -62.1 -14.3 4.3 32.3 -11.4 11 122 A E T > S+ 0 0 131 -5,-0.3 3,-1.4 1,-0.1 4,-0.2 0.505 79.1 97.6 -87.0 -7.8 7.0 34.9 -12.5 12 123 A G G X S+ 0 0 3 -3,-1.7 3,-2.1 -6,-0.3 -1,-0.1 0.835 76.3 54.1 -52.5 -44.8 4.2 37.4 -13.5 13 124 A A G > S+ 0 0 35 1,-0.3 19,-1.7 -4,-0.3 3,-0.9 0.721 99.7 64.4 -66.6 -22.8 4.3 39.5 -10.3 14 125 A G G < S+ 0 0 31 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.468 101.4 51.5 -74.0 -5.4 8.0 39.9 -10.8 15 126 A H G < S+ 0 0 96 -3,-2.1 2,-0.7 -4,-0.2 -1,-0.2 0.250 89.7 87.4-112.9 6.6 7.2 41.8 -14.0 16 127 A V S < S- 0 0 65 -3,-0.9 15,-2.9 -4,-0.1 16,-0.2 -0.913 72.0-144.2-111.7 107.3 4.7 44.3 -12.5 17 128 A G E -A 30 0A 50 -2,-0.7 2,-0.3 13,-0.2 13,-0.3 -0.214 19.0-177.6 -70.9 159.6 6.4 47.4 -11.1 18 129 A Y E -A 29 0A 92 11,-2.4 11,-3.3 9,-0.0 2,-0.3 -0.983 15.2-172.5-157.2 144.7 5.4 49.3 -8.0 19 130 A Q > - 0 0 58 -2,-0.3 3,-2.4 9,-0.2 9,-0.1 -0.955 44.5 -96.6-144.2 122.5 6.5 52.4 -6.2 20 131 A Y G > S- 0 0 130 7,-0.4 3,-2.9 -2,-0.3 6,-0.2 -0.119 97.1 -23.6 -47.8 118.6 4.9 53.2 -2.8 21 132 A R G 3 S- 0 0 204 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.705 113.1 -72.8 49.0 31.0 2.1 55.8 -3.2 22 133 A R G < S+ 0 0 228 -3,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.746 84.1 166.0 55.1 28.8 3.6 56.9 -6.4 23 134 A N X - 0 0 78 -3,-2.9 3,-2.2 1,-0.2 -1,-0.2 -0.622 34.3-151.7 -75.4 116.9 6.4 58.6 -4.4 24 135 A T T 3 S+ 0 0 132 -2,-0.6 -1,-0.2 1,-0.3 4,-0.1 0.761 97.5 58.2 -60.9 -22.8 9.3 59.5 -6.7 25 136 A G T 3 S+ 0 0 68 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.444 92.3 93.9 -83.2 -2.3 11.5 59.2 -3.7 26 137 A S S < S- 0 0 32 -3,-2.2 2,-0.1 -6,-0.2 -5,-0.0 -0.488 86.3 -84.7 -94.3 163.2 10.5 55.5 -3.1 27 138 A T - 0 0 99 -2,-0.2 2,-0.8 1,-0.1 -7,-0.4 -0.366 34.4-124.0 -66.1 135.1 12.1 52.3 -4.2 28 139 A M + 0 0 162 -9,-0.1 2,-0.2 -2,-0.1 -9,-0.2 -0.762 50.4 166.5 -77.7 110.0 11.2 51.0 -7.6 29 140 A R E -A 18 0A 66 -11,-3.3 -11,-2.4 -2,-0.8 2,-0.4 -0.629 36.9-117.8-118.9 174.6 10.0 47.5 -6.7 30 141 A M E >> -A 17 0A 67 -13,-0.3 4,-1.2 -2,-0.2 3,-1.0 -0.895 30.7-116.5-110.0 148.6 8.1 44.6 -8.3 31 142 A V H 3> S+ 0 0 48 -15,-2.9 4,-2.5 -18,-0.5 3,-0.4 0.869 115.6 60.1 -47.8 -41.5 4.7 43.5 -6.9 32 143 A S H 3> S+ 0 0 29 -19,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.865 100.2 55.6 -57.6 -38.3 6.3 40.1 -6.0 33 144 A D H <4 S+ 0 0 70 -3,-1.0 -1,-0.2 -20,-0.3 -2,-0.2 0.870 110.0 44.7 -62.7 -39.2 8.9 41.9 -3.7 34 145 A V H >< S+ 0 0 38 -4,-1.2 3,-1.9 -3,-0.4 4,-0.2 0.918 111.9 51.2 -73.7 -43.0 6.1 43.5 -1.7 35 146 A L H >< S+ 0 0 94 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.847 101.8 64.0 -60.6 -31.5 4.1 40.3 -1.5 36 147 A D T 3< S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.547 80.7 81.1 -68.5 -11.0 7.2 38.6 -0.2 37 148 A E T < S+ 0 0 134 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.642 100.7 37.4 -69.5 -17.2 7.2 40.9 2.9 38 149 A R < - 0 0 117 -3,-1.5 2,-0.3 -4,-0.2 42,-0.1 -0.854 68.8-168.3-126.6 170.2 4.6 38.4 4.3 39 150 A V + 0 0 28 40,-0.5 42,-2.0 -2,-0.3 2,-0.3 -0.975 5.5 178.8-157.3 143.3 4.2 34.7 4.2 40 151 A S B > -b 81 0B 13 -2,-0.3 3,-1.9 40,-0.2 4,-0.2 -0.900 48.5 -94.0-140.1 170.1 1.4 32.2 5.1 41 152 A L G >> S+ 0 0 2 40,-2.2 3,-2.2 -2,-0.3 4,-1.4 0.821 117.5 71.4 -55.7 -30.1 0.6 28.5 5.1 42 153 A W G 34 S+ 0 0 71 1,-0.3 -1,-0.3 39,-0.3 11,-0.1 0.777 87.6 64.2 -58.4 -25.8 -1.0 29.1 1.7 43 154 A D G <4 S+ 0 0 74 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.567 117.9 24.0 -75.2 -8.4 2.4 29.6 0.2 44 155 A F T <4 S+ 0 0 41 -3,-2.2 2,-1.7 -4,-0.2 -2,-0.2 0.371 93.3 99.3-129.9 -3.6 3.4 26.0 1.0 45 156 A H < + 0 0 0 -4,-1.4 8,-2.5 5,-0.1 2,-0.3 -0.504 64.3 108.7 -92.4 68.7 0.1 24.2 1.2 46 157 A C B -X 52 0C 39 -2,-1.7 6,-0.3 6,-0.3 -3,-0.0 -0.908 69.5-102.7-143.4 159.3 0.3 22.8 -2.4 47 158 A D > - 0 0 51 4,-2.8 3,-2.0 -2,-0.3 -1,-0.1 -0.159 53.5 -86.5 -76.0 176.9 0.8 19.5 -4.2 48 159 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.666 130.3 55.8 -62.3 -15.3 4.2 18.6 -5.8 49 160 A S T 3 S- 0 0 106 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.410 122.4-105.4 -91.7 -2.2 3.1 20.4 -9.0 50 161 A G S < S+ 0 0 53 -3,-2.0 2,-0.4 1,-0.3 -5,-0.1 0.514 72.4 142.9 91.5 5.4 2.5 23.7 -7.0 51 162 A N - 0 0 99 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.676 56.2-108.3 -81.7 131.4 -1.3 23.5 -7.1 52 163 A V B -X 46 0C 84 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.3 -0.210 26.5-151.4 -57.1 142.9 -3.0 24.7 -3.9 53 164 A I - 0 0 38 -8,-2.5 -1,-0.1 -11,-0.1 6,-0.0 -0.982 15.7-129.2-112.8 129.3 -4.6 22.1 -1.7 54 165 A Q - 0 0 106 -2,-0.4 -8,-0.0 1,-0.1 2,-0.0 -0.610 26.5-121.1 -73.4 137.4 -7.6 23.2 0.5 55 166 A P + 0 0 21 0, 0.0 33,-0.1 0, 0.0 32,-0.1 -0.311 50.0 130.1 -73.4 162.9 -7.3 22.2 4.1 56 167 A G S > S- 0 0 13 3,-0.4 3,-2.4 33,-0.1 33,-0.3 -0.913 71.3 -69.4 166.8 174.0 -9.9 20.0 5.8 57 168 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 31,-0.0 0.676 128.5 52.1 -61.7 -16.2 -10.5 16.9 7.9 58 169 A N T 3 S+ 0 0 163 64,-0.1 2,-0.4 2,-0.0 33,-0.0 0.202 99.5 76.9-103.3 14.3 -9.3 14.7 5.0 59 170 A V < - 0 0 36 -3,-2.4 2,-0.7 -6,-0.0 -3,-0.4 -0.988 69.7-142.5-128.4 132.6 -6.0 16.6 4.5 60 171 A D - 0 0 50 -2,-0.4 3,-0.3 1,-0.1 4,-0.3 -0.863 15.9-176.5 -93.2 110.6 -2.9 16.3 6.5 61 172 A S > + 0 0 1 28,-3.2 4,-2.2 -2,-0.7 3,-0.5 0.511 55.8 99.5 -84.5 -5.0 -1.4 19.8 6.7 62 173 A R H > S+ 0 0 46 27,-0.3 4,-2.5 1,-0.2 5,-0.2 0.894 80.2 45.8 -51.8 -56.8 1.8 18.7 8.6 63 174 A Q H > S+ 0 0 108 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.836 113.1 51.8 -62.1 -31.2 4.3 18.5 5.8 64 175 A Y H > S+ 0 0 35 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.894 110.6 46.3 -72.6 -42.5 3.2 21.8 4.3 65 176 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.900 113.4 50.4 -65.3 -39.5 3.5 23.7 7.6 66 177 A Q H X S+ 0 0 19 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.9 53.0 -64.4 -42.2 6.9 22.1 8.2 67 178 A A H X S+ 0 0 42 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.882 109.5 49.4 -58.3 -40.6 8.0 23.1 4.6 68 179 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.939 113.0 45.9 -62.1 -50.1 7.0 26.8 5.5 69 180 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 113.7 49.2 -59.5 -44.1 9.0 26.7 8.8 70 181 A D H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.928 113.5 46.1 -65.3 -46.1 12.0 25.1 7.1 71 182 A Y H X S+ 0 0 126 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.934 113.9 46.0 -62.7 -49.4 12.0 27.6 4.3 72 183 A V H ><>S+ 0 0 12 -4,-2.7 5,-2.3 1,-0.2 3,-0.8 0.908 109.8 56.0 -64.5 -38.5 11.6 30.7 6.4 73 184 A S H ><5S+ 0 0 45 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.916 102.6 57.7 -53.2 -45.8 14.3 29.4 8.8 74 185 A S H 3<5S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 105.0 50.5 -54.0 -34.6 16.6 29.2 5.7 75 186 A N T <<5S- 0 0 103 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.118 129.1 -87.9 -99.2 21.5 16.1 33.0 5.0 76 187 A G T < 5S- 0 0 63 -3,-1.6 -3,-0.2 33,-0.1 -2,-0.1 0.573 76.3 -78.3 88.5 10.6 16.9 34.2 8.5 77 188 A G < + 0 0 25 -5,-2.3 2,-0.3 -6,-0.2 34,-0.3 -0.284 52.7 164.3 98.9-177.9 13.4 34.0 9.9 78 189 A G E - 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