==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 24-MAR-09 3GQ7 . COMPND 2 MOLECULE: PRENECK APPENDAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 605 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 269 44.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 0 0 1 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 . 4 10 11 11 6 1 1 3 3 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 . 1 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 87 A H > 0 0 182 0, 0.0 4,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.5 36.7 34.2 197.2 2 88 A H H > + 0 0 159 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.776 360.0 56.7 -68.5 -30.4 35.9 30.5 196.3 3 89 A F H > S+ 0 0 163 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 104.9 49.8 -66.3 -50.8 39.6 29.5 196.9 4 90 A A H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.902 108.9 54.5 -53.1 -44.1 39.6 30.8 200.5 5 91 A D H X S+ 0 0 70 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.887 108.7 47.8 -58.3 -42.0 36.3 28.9 201.1 6 92 A L H X S+ 0 0 104 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.898 111.6 49.2 -66.5 -43.2 37.9 25.6 199.9 7 93 A V H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 3,-0.4 0.951 111.3 50.5 -58.6 -49.4 41.0 26.2 202.1 8 94 A I H X S+ 0 0 80 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.897 105.8 56.1 -54.4 -45.5 38.7 26.9 205.1 9 95 A Q H X S+ 0 0 110 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.857 107.7 48.9 -54.6 -40.1 36.8 23.7 204.4 10 96 A V H X S+ 0 0 98 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.2 0.924 112.1 48.0 -66.6 -45.8 40.0 21.7 204.6 11 97 A I H >X S+ 0 0 94 -4,-2.2 4,-0.8 1,-0.2 3,-0.8 0.933 109.9 52.7 -59.2 -49.1 40.9 23.4 207.9 12 98 A D H >< S+ 0 0 46 -4,-3.3 3,-1.0 1,-0.2 -1,-0.2 0.889 107.0 52.7 -53.0 -45.0 37.4 22.7 209.3 13 99 A E H 3< S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.731 98.0 65.0 -67.3 -25.1 37.7 19.0 208.5 14 100 A L H << S- 0 0 113 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.789 85.9-160.2 -65.3 -28.9 41.0 18.8 210.4 15 101 A K << + 0 0 93 -3,-1.0 -3,-0.1 -4,-0.8 4,-0.1 0.920 20.6 170.5 46.7 57.2 39.1 19.6 213.6 16 102 A Q S S+ 0 0 153 -5,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.822 81.3 21.4 -67.2 -31.1 42.2 20.7 215.4 17 103 A F S S- 0 0 131 1,-0.5 2,-0.4 30,-0.1 -1,-0.2 0.394 124.4 -92.7-108.3 -3.1 40.2 22.1 218.4 18 104 A G S S- 0 0 17 -6,-0.1 -1,-0.5 31,-0.1 2,-0.5 -0.979 86.4 -21.4 110.8-139.2 37.1 20.1 217.8 19 105 A V E -a 48 0A 6 28,-3.0 30,-3.1 -2,-0.4 2,-0.2 -0.944 65.3-136.0-110.2 129.5 34.6 22.0 215.7 20 106 A S E > -a 49 0A 24 -2,-0.5 3,-1.0 28,-0.2 4,-0.5 -0.570 13.3-132.6 -75.4 140.9 34.8 25.8 215.4 21 107 A V G > >S+ 0 0 0 28,-2.1 5,-1.8 1,-0.2 3,-1.0 0.784 108.5 66.0 -60.5 -26.8 31.5 27.8 215.7 22 108 A K G > 5S+ 0 0 98 27,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.784 89.3 64.6 -64.8 -29.4 32.7 29.6 212.6 23 109 A T G < 5S+ 0 0 51 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.781 102.8 49.3 -59.9 -29.0 32.4 26.3 210.7 24 110 A Y G < 5S- 0 0 61 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.263 136.0 -84.2 -99.2 12.3 28.6 26.6 211.4 25 111 A G T < 5S+ 0 0 36 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.461 73.5 153.9 107.2 2.8 28.4 30.2 210.2 26 112 A A < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.1 8,-0.1 -0.408 22.4-171.8 -64.7 136.5 29.5 32.3 213.2 27 113 A K - 0 0 113 5,-0.1 -1,-0.1 29,-0.1 27,-0.1 0.807 10.2-159.6 -96.1 -36.5 31.0 35.7 212.3 28 114 A G + 0 0 9 4,-0.2 26,-1.1 28,-0.1 27,-0.2 0.901 47.4 133.0 52.9 45.1 32.2 36.9 215.8 29 115 A D E S-b 54 0A 80 3,-0.2 26,-0.2 24,-0.2 -1,-0.1 0.253 77.3-110.7-109.4 8.2 32.2 40.4 214.4 30 116 A G E S+ 0 0 33 24,-2.6 25,-0.1 2,-0.2 3,-0.1 0.496 107.7 52.9 74.5 5.0 30.4 42.1 217.3 31 117 A V E S+ 0 0 111 23,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.624 80.9 83.5-132.6 -53.5 27.3 42.7 215.2 32 118 A T E S- 0 0 58 1,-0.1 2,-0.7 2,-0.1 24,-0.7 -0.347 80.4-113.2 -67.0 140.1 25.9 39.6 213.4 33 119 A D E +b 56 0A 64 1,-0.1 3,-0.3 22,-0.1 24,-0.2 -0.664 35.9 177.0 -75.2 111.8 23.6 37.2 215.3 34 120 A D > + 0 0 4 22,-3.2 4,-2.0 -2,-0.7 3,-0.3 0.224 44.0 111.4-101.1 11.4 25.6 34.0 215.7 35 121 A I H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 76.1 52.3 -57.8 -39.6 23.0 32.1 217.8 36 122 A R H > S+ 0 0 119 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.889 107.9 51.1 -67.5 -37.9 22.2 29.5 215.1 37 123 A A H > S+ 0 0 5 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.911 111.4 48.3 -62.8 -43.4 25.9 28.7 214.5 38 124 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.944 113.4 47.3 -60.6 -48.1 26.3 28.1 218.3 39 125 A E H X S+ 0 0 36 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.910 114.5 46.0 -60.3 -45.3 23.1 25.9 218.4 40 126 A K H X S+ 0 0 74 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.928 115.1 46.6 -64.3 -46.1 24.2 23.9 215.3 41 127 A A H ><>S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 5,-0.5 0.941 114.2 48.6 -59.5 -46.3 27.8 23.4 216.6 42 128 A I H ><5S+ 0 0 15 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.840 111.4 48.8 -66.0 -34.3 26.5 22.4 220.1 43 129 A E H 3<5S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.580 91.5 83.0 -80.3 -9.4 23.9 19.9 218.7 44 130 A S T <<5S- 0 0 40 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.692 97.8-123.0 -70.8 -21.8 26.6 18.2 216.4 45 131 A G T < 5S+ 0 0 73 -3,-0.6 -3,-0.1 1,-0.4 -1,-0.1 0.410 74.9 113.3 89.9 -0.9 28.0 16.0 219.2 46 132 A F S > - 0 0 16 35,-1.9 4,-2.3 -23,-0.2 3,-1.5 -0.581 63.2 -45.4 135.6 164.5 40.5 32.7 226.3 74 160 A K T 34 S+ 0 0 67 35,-0.3 4,-0.1 1,-0.3 72,-0.1 -0.361 127.6 12.3 -57.0 142.1 39.0 35.5 228.3 75 161 A R T 34 S+ 0 0 189 2,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.733 125.8 66.7 56.0 25.2 38.8 38.8 226.3 76 162 A N T <4 S+ 0 0 58 -3,-1.5 -23,-2.5 1,-0.5 2,-0.7 0.428 104.1 34.0-130.9 -69.8 39.7 36.8 223.2 77 163 A A E < S+d 53 0A 0 -4,-2.3 33,-2.8 -25,-0.2 -1,-0.5 -0.857 82.4 179.8 -85.6 114.6 36.6 34.6 222.7 78 164 A V E -df 54 110A 22 -25,-2.7 -23,-3.7 -2,-0.7 2,-0.4 -0.986 16.1-163.1-124.0 128.0 33.7 36.9 224.0 79 165 A I E +df 55 111A 0 31,-3.1 33,-3.3 -2,-0.4 2,-0.3 -0.946 20.5 176.6-111.6 131.7 30.0 35.8 224.0 80 166 A R E -df 56 112A 46 -25,-2.3 -23,-1.8 -2,-0.4 33,-0.2 -0.996 32.3-117.9-146.7 134.1 27.5 38.7 224.3 81 167 A F E -d 57 0A 7 31,-1.6 -23,-0.2 -2,-0.3 2,-0.1 -0.467 40.1-116.1 -64.6 138.1 23.8 39.4 224.4 82 168 A M > - 0 0 39 -25,-2.3 3,-1.6 -2,-0.2 -1,-0.1 -0.400 24.7-110.9 -70.2 154.5 22.6 41.7 221.5 83 169 A D T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.785 115.9 58.3 -55.1 -28.7 21.1 45.1 222.5 84 170 A S T 3 S+ 0 0 95 2,-0.0 -1,-0.3 0, 0.0 -26,-0.1 0.533 74.9 121.0 -84.9 -9.3 17.7 43.9 221.4 85 171 A V < - 0 0 15 -3,-1.6 -26,-0.1 -28,-0.2 -27,-0.0 -0.328 50.7-148.6 -60.2 134.3 17.4 40.9 223.7 86 172 A G - 0 0 49 -28,-0.3 3,-0.3 1,-0.2 2,-0.2 0.180 29.3 -64.2 -83.1-153.0 14.4 41.0 226.0 87 173 A R S S+ 0 0 107 1,-0.1 -1,-0.2 37,-0.0 37,-0.0 -0.627 91.9 49.8-104.7 153.4 13.9 39.7 229.5 88 174 A G S S+ 0 0 23 -2,-0.2 2,-0.4 1,-0.2 42,-0.2 0.155 78.1 93.2 118.8 -18.8 13.9 36.2 231.1 89 175 A E - 0 0 54 -3,-0.3 -1,-0.2 40,-0.2 2,-0.2 -0.886 61.5-133.6-114.2 140.3 17.0 34.3 230.0 90 176 A S - 0 0 1 -2,-0.4 42,-0.2 40,-0.2 3,-0.1 -0.519 33.7-117.2 -70.1 154.4 20.4 33.7 231.4 91 177 A L S S+ 0 0 0 40,-1.8 -30,-3.1 1,-0.2 2,-0.4 0.889 98.3 13.9 -64.5 -39.3 23.1 34.2 228.6 92 178 A M E S+wx 61 133B 0 40,-1.3 42,-2.3 39,-0.3 2,-0.3 -0.999 78.7 145.2-139.7 132.0 24.2 30.5 228.9 93 179 A Y E -wx 62 134B 25 -32,-2.3 -30,-2.6 -2,-0.4 2,-0.2 -0.982 50.9 -85.9-160.7 160.5 22.4 27.7 230.7 94 180 A N E -w 63 0B 0 40,-1.0 6,-0.1 -2,-0.3 -32,-0.1 -0.530 38.3-127.4 -75.3 142.8 21.7 24.0 230.5 95 181 A E S S+ 0 0 93 -32,-2.7 2,-1.3 -2,-0.2 3,-0.1 0.822 95.9 66.0 -64.4 -38.8 18.8 23.1 228.3 96 182 A N > + 0 0 47 -33,-0.4 4,-1.2 1,-0.2 -1,-0.2 -0.713 62.4 175.7 -90.6 93.5 16.8 20.9 230.8 97 183 A V T 4 S+ 0 0 30 -2,-1.3 65,-3.2 1,-0.2 -1,-0.2 0.708 71.8 42.8 -71.2 -24.1 15.9 23.5 233.3 98 184 A T T 4 S+ 0 0 86 63,-0.3 -1,-0.2 -3,-0.1 63,-0.1 0.885 130.5 14.1 -96.7 -45.1 13.8 21.2 235.5 99 185 A T T 4 S- 0 0 80 1,-0.1 -2,-0.2 62,-0.1 62,-0.1 0.448 102.8-140.9-115.8 -2.7 15.6 17.9 235.9 100 186 A G < - 0 0 14 -4,-1.2 2,-0.2 -6,-0.1 38,-0.2 0.059 3.8 -96.0 84.6 178.3 19.0 19.0 234.6 101 187 A N - 0 0 11 35,-0.3 38,-2.0 -37,-0.1 2,-0.3 -0.678 26.3-132.4-131.1 179.1 21.9 17.7 232.4 102 188 A E E + g 0 139A 95 36,-0.2 -36,-2.7 -2,-0.2 -35,-0.3 -0.985 66.4 23.5-141.5 152.7 25.2 16.0 233.0 103 189 A N E + 0 0 36 36,-2.1 -36,-1.3 -2,-0.3 2,-0.5 0.990 63.3 165.2 63.1 70.3 28.9 16.3 231.9 104 190 A I E -eg 67 141A 0 36,-2.0 38,-2.5 -38,-0.2 2,-0.5 -0.984 14.3-172.6-121.8 122.5 29.3 20.0 230.9 105 191 A F E +eg 68 142A 68 -38,-2.8 -36,-2.8 -2,-0.5 2,-0.5 -0.942 5.4 179.1-123.9 108.0 32.8 21.4 230.5 106 192 A L E +eg 69 143A 0 36,-3.0 38,-2.7 -2,-0.5 2,-0.3 -0.938 9.8 166.8-115.3 127.7 33.1 25.1 229.9 107 193 A S E +eg 70 144A 32 -38,-2.3 -36,-2.5 -2,-0.5 38,-0.2 -0.999 40.9 1.3-144.8 140.9 36.5 26.8 229.5 108 194 A S E S+ 0 0 29 36,-1.8 -35,-1.9 -2,-0.3 2,-0.3 0.887 81.8 100.7 65.3 59.0 38.3 30.0 228.5 109 195 A F E - g 0 146A 0 36,-1.0 38,-2.1 35,-0.2 2,-0.4 -0.983 62.0-111.2-159.0 163.9 35.9 32.7 227.3 110 196 A T E -fg 78 147A 5 -33,-2.8 -31,-3.1 -37,-0.4 2,-0.6 -0.852 18.6-156.8 -96.9 136.1 34.1 35.9 228.4 111 197 A L E -fg 79 148A 0 36,-3.3 38,-2.8 -2,-0.4 2,-0.6 -0.974 9.8-171.6-109.3 117.8 30.4 36.0 229.0 112 198 A D E -fg 80 149A 26 -33,-3.3 -31,-1.6 -2,-0.6 38,-0.2 -0.939 8.4-167.6-113.6 106.7 29.1 39.6 228.6 113 199 A G - 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