==== 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 3GQ9 . COMPND 2 MOLECULE: PRENECK APPENDAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 604 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 75.7 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 . 2 0.3 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 . 50 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 3.6 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 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 10 10 11 6 0 1 3 4 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 1 0 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 88 A H > 0 0 195 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.8 36.0 31.0 196.7 2 89 A F H > + 0 0 165 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 360.0 54.0 -64.8 -45.7 39.5 29.5 197.0 3 90 A A H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 104.1 55.5 -54.2 -44.1 39.5 30.7 200.6 4 91 A D H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 108.3 47.9 -56.1 -42.4 36.2 28.9 201.2 5 92 A L H X S+ 0 0 104 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.894 111.0 49.6 -66.8 -43.3 37.9 25.6 200.0 6 93 A V H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.943 111.0 50.9 -58.1 -48.7 40.9 26.1 202.2 7 94 A I H X S+ 0 0 81 -4,-2.8 4,-3.6 1,-0.2 -2,-0.2 0.895 105.3 56.2 -55.3 -45.1 38.6 26.8 205.2 8 95 A Q H X S+ 0 0 122 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.868 108.4 47.8 -54.7 -40.1 36.7 23.6 204.4 9 96 A V H X S+ 0 0 99 -4,-1.6 4,-1.3 -3,-0.3 -2,-0.2 0.939 113.4 47.5 -65.7 -47.8 39.9 21.6 204.7 10 97 A I H >X S+ 0 0 94 -4,-2.3 4,-0.8 2,-0.2 3,-0.7 0.943 111.7 50.2 -57.6 -52.7 40.8 23.4 208.0 11 98 A D H >< S+ 0 0 45 -4,-3.6 3,-1.4 1,-0.2 -1,-0.2 0.919 108.5 52.5 -49.7 -50.7 37.2 22.8 209.3 12 99 A E H 3< S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 98.2 66.1 -62.2 -26.3 37.5 19.0 208.4 13 100 A L H << S- 0 0 110 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.793 85.8-158.6 -64.4 -29.9 40.8 18.8 210.3 14 101 A K << + 0 0 77 -3,-1.4 -3,-0.1 -4,-0.8 4,-0.1 0.916 22.3 169.3 49.4 54.9 38.9 19.5 213.6 15 102 A Q S S+ 0 0 152 -5,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.831 81.9 19.5 -66.8 -31.5 42.1 20.7 215.4 16 103 A F S S- 0 0 128 1,-0.5 2,-0.4 30,-0.1 -1,-0.2 0.408 124.5 -91.4-109.2 -1.8 40.1 22.0 218.4 17 104 A G S S- 0 0 17 -6,-0.1 -1,-0.5 31,-0.1 2,-0.5 -0.984 86.9 -22.5 112.3-139.3 36.9 20.0 217.8 18 105 A V E -a 47 0A 6 28,-3.0 30,-2.8 -2,-0.4 2,-0.2 -0.955 65.2-135.5-111.4 127.3 34.4 22.0 215.7 19 106 A S E > -a 48 0A 25 -2,-0.5 3,-1.1 28,-0.2 4,-0.5 -0.518 13.7-131.6 -71.3 141.2 34.7 25.8 215.5 20 107 A V G > >S+ 0 0 0 28,-2.1 5,-1.7 1,-0.2 3,-1.3 0.815 108.7 66.6 -61.0 -28.7 31.4 27.7 215.7 21 108 A K G > 5S+ 0 0 95 27,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.774 89.0 65.1 -62.9 -27.5 32.6 29.6 212.6 22 109 A T G < 5S+ 0 0 52 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.780 102.1 49.0 -60.9 -29.6 32.2 26.3 210.7 23 110 A Y G < 5S- 0 0 60 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.259 136.5 -83.9 -99.8 12.7 28.5 26.6 211.4 24 111 A G T < 5S+ 0 0 36 -3,-1.2 -3,-0.2 1,-0.3 2,-0.1 0.485 73.5 154.5 107.4 5.2 28.3 30.2 210.2 25 112 A A < - 0 0 5 -5,-1.7 -1,-0.3 1,-0.1 8,-0.1 -0.437 21.7-172.3 -66.4 135.6 29.4 32.3 213.2 26 113 A K - 0 0 114 -2,-0.1 -1,-0.1 29,-0.1 27,-0.1 0.824 10.8-159.1 -95.3 -38.3 30.9 35.6 212.4 27 114 A G + 0 0 9 4,-0.2 26,-1.1 28,-0.2 27,-0.2 0.904 47.0 133.7 57.0 44.2 32.1 36.8 215.8 28 115 A D E S-b 53 0A 80 3,-0.2 26,-0.2 24,-0.2 -1,-0.1 0.251 76.8-110.1-109.6 8.6 32.0 40.4 214.5 29 116 A G E S+ 0 0 32 24,-2.5 25,-0.1 2,-0.2 3,-0.1 0.484 108.2 52.0 75.7 4.4 30.3 42.1 217.4 30 117 A V E S+ 0 0 111 23,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.618 80.6 84.2-133.9 -53.7 27.2 42.6 215.2 31 118 A T E S- 0 0 58 1,-0.1 24,-0.7 2,-0.1 2,-0.6 -0.365 80.7-113.3 -66.7 138.4 25.8 39.5 213.5 32 119 A D E +b 55 0A 66 1,-0.1 3,-0.2 22,-0.1 24,-0.2 -0.645 35.9 178.4 -70.6 113.6 23.5 37.2 215.4 33 120 A D > + 0 0 4 22,-3.4 4,-1.9 -2,-0.6 3,-0.4 0.269 44.7 110.4-102.4 9.3 25.5 34.0 215.8 34 121 A I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 75.7 52.6 -56.5 -43.1 22.9 32.0 217.8 35 122 A R H > S+ 0 0 122 1,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.876 108.1 51.7 -62.6 -38.0 22.1 29.5 215.1 36 123 A A H > S+ 0 0 5 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.909 111.4 47.7 -62.9 -43.5 25.8 28.7 214.6 37 124 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.946 113.6 46.9 -62.2 -48.8 26.2 28.0 218.3 38 125 A E H X S+ 0 0 35 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.905 114.5 47.1 -61.0 -44.2 23.0 25.8 218.4 39 126 A K H X S+ 0 0 79 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.930 114.8 45.7 -61.9 -48.2 24.1 23.8 215.3 40 127 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 -5,-0.2 5,-0.5 0.926 114.5 48.8 -61.0 -43.5 27.6 23.3 216.6 41 128 A I H >< S+ 0 0 15 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.862 111.0 48.9 -68.2 -36.3 26.4 22.4 220.1 42 129 A E H 3< S+ 0 0 138 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.549 91.6 83.3 -79.0 -6.0 23.8 19.9 218.8 43 130 A S T << S- 0 0 39 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.670 98.2-121.3 -73.2 -19.3 26.4 18.2 216.5 44 131 A G S < S+ 0 0 71 -3,-0.7 -3,-0.1 1,-0.4 -2,-0.1 0.341 75.8 113.3 90.5 -7.1 27.9 15.9 219.2 45 132 A F S S- 0 0 93 -5,-0.5 -1,-0.4 1,-0.1 22,-0.3 -0.650 80.2 -95.4 -93.0 154.2 31.4 17.3 218.7 46 133 A P - 0 0 58 0, 0.0 -28,-3.0 0, 0.0 2,-0.4 -0.505 48.4-132.3 -58.3 135.0 33.4 19.4 221.3 47 134 A V E -ac 18 68A 3 20,-3.3 22,-2.6 -30,-0.2 2,-0.4 -0.806 18.1-160.5-103.2 134.3 32.8 23.0 220.3 48 135 A Y E -ac 19 69A 33 -30,-2.8 -28,-2.1 -2,-0.4 -27,-0.3 -0.921 5.3-159.9-113.2 137.3 35.5 25.6 220.0 49 136 A V E - c 0 70A 0 20,-2.8 22,-1.4 -2,-0.4 23,-0.2 -0.962 18.0-166.6-114.3 112.3 35.0 29.4 220.1 50 137 A P - 0 0 24 0, 0.0 27,-0.2 0, 0.0 21,-0.2 -0.065 44.1 -42.3 -84.8-168.1 37.9 31.3 218.4 51 138 A Y S S+ 0 0 169 25,-0.1 25,-0.3 20,-0.1 2,-0.2 -0.252 92.8 80.4 -54.4 139.8 38.8 35.0 218.6 52 139 A G E S- d 0 76A 0 23,-2.3 25,-2.6 -3,-0.1 2,-0.6 -0.707 78.3 -92.1 148.1 166.2 35.7 37.3 218.3 53 140 A T E -bd 28 77A 48 -26,-1.1 -24,-2.5 -2,-0.2 2,-0.8 -0.954 42.4-158.0-107.5 108.3 32.8 38.9 219.9 54 141 A F E - d 0 78A 0 23,-3.5 25,-2.3 -2,-0.6 2,-0.2 -0.794 4.7-156.4 -98.7 104.5 29.9 36.5 219.3 55 142 A M E -bd 32 79A 8 -2,-0.8 -22,-3.4 -24,-0.7 2,-0.3 -0.539 10.0-172.0 -79.7 144.1 26.5 38.2 219.5 56 143 A V E - d 0 80A 0 23,-1.9 25,-2.2 -24,-0.2 28,-0.2 -0.999 24.0-153.4-139.4 140.6 23.4 36.1 220.3 57 144 A S S S+ 0 0 37 -2,-0.3 2,-0.3 23,-0.2 28,-0.3 0.443 84.5 18.5 -90.9 -4.7 19.7 37.1 220.2 58 145 A R S S- 0 0 81 26,-0.1 26,-0.0 32,-0.1 -1,-0.0 -0.963 100.1 -64.7-156.2 168.4 18.7 34.5 222.8 59 146 A G - 0 0 0 -2,-0.3 2,-0.7 1,-0.1 32,-0.2 -0.211 44.8-119.7 -61.5 145.8 20.3 32.3 225.5 60 147 A I E -v 91 0B 0 30,-3.0 32,-2.1 29,-0.1 2,-0.4 -0.799 30.6-150.8 -87.0 113.5 22.8 29.5 224.6 61 148 A K E -v 92 0B 81 -2,-0.7 32,-0.2 30,-0.2 -20,-0.0 -0.746 5.3-151.0 -95.8 130.2 21.2 26.3 225.8 62 149 A L E -v 93 0B 0 30,-2.6 32,-3.2 -2,-0.4 33,-0.4 -0.873 6.3-159.7-108.9 122.5 23.6 23.4 226.8 63 150 A P - 0 0 33 0, 0.0 3,-0.4 0, 0.0 37,-0.1 -0.336 39.8 -72.8 -84.1 175.2 22.7 19.7 226.5 64 151 A S S S+ 0 0 40 1,-0.2 38,-0.2 35,-0.1 39,-0.1 -0.254 115.3 28.3 -61.6 155.7 24.4 16.8 228.3 65 152 A N S S+ 0 0 114 36,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.896 84.7 157.4 54.4 47.8 27.9 15.8 227.3 66 153 A T E - e 0 103A 7 36,-1.2 38,-2.6 -3,-0.4 2,-0.5 -0.879 27.2-170.3-102.4 131.9 28.8 19.3 226.0 67 154 A V E + e 0 104A 48 -2,-0.4 -20,-3.3 -22,-0.3 2,-0.5 -0.987 11.6 175.6-115.8 117.5 32.4 20.5 225.7 68 155 A L E +ce 47 105A 0 36,-2.8 38,-2.4 -2,-0.5 2,-0.4 -0.951 4.0 171.2-128.2 113.7 32.6 24.2 225.0 69 156 A T E -ce 48 106A 47 -22,-2.6 -20,-2.8 -2,-0.5 38,-0.2 -0.967 11.1-163.6-127.2 130.9 36.1 25.8 224.9 70 157 A G E -c 49 0A 5 36,-2.6 38,-0.1 -2,-0.4 3,-0.1 -0.515 37.9-104.1-104.6 178.2 37.1 29.3 223.8 71 158 A A S S- 0 0 34 -22,-1.4 2,-0.2 1,-0.3 37,-0.2 0.578 83.8 -77.6 -74.9 -11.1 40.4 31.0 222.9 72 159 A G >> - 0 0 15 35,-1.9 4,-2.2 -23,-0.2 3,-1.6 -0.576 63.6 -44.9 134.8 165.6 40.4 32.7 226.3 73 160 A K T 34 S+ 0 0 120 35,-0.3 4,-0.1 1,-0.3 72,-0.1 -0.346 127.8 11.7 -61.6 144.4 38.8 35.5 228.3 74 161 A R T 34 S+ 0 0 186 2,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.756 126.0 67.4 54.1 26.0 38.7 38.8 226.3 75 162 A N T <4 S+ 0 0 59 -3,-1.6 -23,-2.3 1,-0.5 2,-0.7 0.426 105.0 32.1-128.4 -70.8 39.6 36.7 223.3 76 163 A A E < S-d 52 0A 0 -4,-2.2 33,-2.7 -25,-0.3 -1,-0.5 -0.852 83.5-179.9 -83.8 115.7 36.5 34.6 222.8 77 164 A V E -df 53 109A 21 -25,-2.6 -23,-3.5 -2,-0.7 2,-0.4 -0.988 15.4-163.2-124.4 130.7 33.7 36.8 224.0 78 165 A I E +df 54 110A 0 31,-3.1 33,-3.5 -2,-0.4 2,-0.4 -0.963 19.6 176.0-115.7 131.3 30.0 35.8 224.0 79 166 A R E -df 55 111A 41 -25,-2.3 -23,-1.9 -2,-0.4 33,-0.2 -0.995 32.4-117.6-147.3 133.8 27.4 38.6 224.4 80 167 A F E -d 56 0A 7 31,-1.6 -23,-0.2 -2,-0.4 2,-0.1 -0.468 40.5-115.1 -64.6 138.8 23.7 39.3 224.4 81 168 A M > - 0 0 38 -25,-2.2 3,-1.8 -2,-0.1 -1,-0.1 -0.431 24.6-111.6 -71.0 152.2 22.5 41.6 221.6 82 169 A D T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.766 115.8 58.6 -52.8 -27.2 21.0 45.0 222.6 83 170 A S T 3 S+ 0 0 94 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.505 74.6 120.9 -87.8 -7.3 17.6 43.8 221.4 84 171 A V < - 0 0 14 -3,-1.8 -26,-0.1 -28,-0.2 -27,-0.0 -0.374 50.7-149.0 -62.5 131.2 17.3 40.8 223.7 85 172 A G - 0 0 49 -28,-0.3 2,-0.2 1,-0.2 3,-0.2 0.281 29.8 -65.1 -78.8-149.0 14.3 40.9 226.0 86 173 A R S S+ 0 0 99 1,-0.1 -1,-0.2 37,-0.0 3,-0.1 -0.658 91.8 51.7-110.2 155.6 13.8 39.5 229.5 87 174 A G S S+ 0 0 25 -2,-0.2 2,-0.4 1,-0.2 42,-0.2 0.124 78.5 94.4 117.8 -21.1 13.8 36.1 231.1 88 175 A E - 0 0 53 -3,-0.2 -1,-0.2 40,-0.2 2,-0.2 -0.878 60.9-135.7-114.6 138.5 16.9 34.2 230.0 89 176 A S - 0 0 1 -2,-0.4 42,-0.2 40,-0.2 3,-0.1 -0.519 33.9-117.0 -69.3 153.6 20.4 33.7 231.4 90 177 A L S S+ 0 0 0 40,-1.8 -30,-3.0 1,-0.2 2,-0.4 0.879 98.2 13.3 -62.8 -40.3 23.0 34.1 228.7 91 178 A M E S+vw 60 132B 0 40,-1.2 42,-2.5 39,-0.3 2,-0.3 -0.998 78.3 144.8-142.6 130.3 24.1 30.5 229.0 92 179 A Y E -vw 61 133B 24 -32,-2.1 -30,-2.6 -2,-0.4 42,-0.2 -0.981 50.0 -82.5-161.5 158.6 22.3 27.6 230.8 93 180 A N E -v 62 0B 0 40,-1.0 6,-0.1 -2,-0.3 -32,-0.1 -0.471 38.2-124.2 -71.7 142.4 21.7 23.9 230.5 94 181 A E S S+ 0 0 96 -32,-3.2 2,-1.3 1,-0.2 -1,-0.1 0.842 98.2 61.7 -51.9 -51.7 18.8 22.8 228.2 95 182 A N > + 0 0 48 -33,-0.4 4,-1.3 1,-0.2 -1,-0.2 -0.701 63.5 178.3 -90.8 94.4 16.8 20.8 230.8 96 183 A V T 4 S+ 0 0 28 -2,-1.3 65,-3.1 1,-0.2 -1,-0.2 0.727 74.4 40.0 -67.8 -26.4 15.8 23.5 233.3 97 184 A T T 4 S+ 0 0 84 63,-0.3 -1,-0.2 2,-0.1 63,-0.2 0.883 130.9 16.4 -98.7 -44.3 13.7 21.2 235.5 98 185 A T T 4 S- 0 0 80 1,-0.2 -2,-0.2 62,-0.1 62,-0.1 0.463 102.7-142.8-112.8 -3.2 15.5 17.8 235.8 99 186 A G < - 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