==== 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 3GQ8 . 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) . 24713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 270 44.7 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 . 49 8.1 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 . 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 12 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 88 A H > 0 0 199 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -15.5 36.3 30.7 197.1 2 89 A F H > + 0 0 162 2,-0.2 4,-2.1 1,-0.1 3,-0.2 0.920 360.0 48.5 -70.5 -47.3 40.0 29.7 197.5 3 90 A A H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 109.1 54.4 -60.1 -39.3 40.1 31.0 201.1 4 91 A D H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.836 107.1 50.7 -64.0 -34.1 36.9 29.1 201.8 5 92 A L H X S+ 0 0 104 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.910 111.2 47.3 -68.2 -44.4 38.5 25.8 200.5 6 93 A V H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 3,-0.5 0.956 111.7 51.0 -59.1 -51.3 41.5 26.4 202.8 7 94 A I H X S+ 0 0 80 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.891 106.0 55.9 -52.4 -45.0 39.2 27.1 205.8 8 95 A Q H X S+ 0 0 112 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.863 107.6 48.8 -56.3 -39.8 37.3 23.9 205.1 9 96 A V H X S+ 0 0 93 -4,-1.5 4,-1.0 -3,-0.5 -1,-0.2 0.918 112.8 47.5 -65.9 -44.2 40.5 21.9 205.3 10 97 A I H >X S+ 0 0 91 -4,-2.2 3,-0.9 1,-0.2 4,-0.8 0.938 110.2 52.0 -61.6 -49.6 41.4 23.7 208.6 11 98 A D H >< S+ 0 0 47 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.878 107.1 53.9 -52.3 -44.2 37.9 23.1 210.0 12 99 A E H 3< S+ 0 0 154 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.714 97.4 64.9 -65.6 -26.2 38.2 19.4 209.2 13 100 A L H << S- 0 0 113 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.767 85.7-159.6 -67.2 -27.9 41.5 19.1 211.1 14 101 A K << + 0 0 95 -3,-0.9 -3,-0.1 -4,-0.8 4,-0.1 0.909 20.5 171.1 49.2 54.8 39.6 19.9 214.3 15 102 A Q S S+ 0 0 153 -5,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.821 80.4 21.2 -67.6 -31.3 42.7 21.0 216.2 16 103 A F S S- 0 0 125 1,-0.5 2,-0.4 30,-0.1 -1,-0.2 0.417 124.6 -90.9-107.3 -5.7 40.8 22.4 219.2 17 104 A G S S- 0 0 16 31,-0.1 -1,-0.5 30,-0.0 2,-0.5 -0.982 86.7 -23.6 116.4-139.0 37.6 20.4 218.7 18 105 A V E -a 47 0A 6 28,-2.9 30,-3.1 -2,-0.4 2,-0.2 -0.945 65.7-135.9-109.7 132.1 35.1 22.3 216.6 19 106 A S E >> -a 48 0A 22 -2,-0.5 3,-0.7 28,-0.2 4,-0.5 -0.562 12.9-132.1 -78.1 145.4 35.3 26.1 216.3 20 107 A V G >4>S+ 0 0 0 28,-2.1 5,-1.9 1,-0.2 3,-0.8 0.776 107.9 65.8 -63.2 -26.7 32.1 28.1 216.6 21 108 A K G >45S+ 0 0 98 27,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.797 91.2 62.5 -66.0 -30.3 33.3 30.0 213.5 22 109 A T G <45S+ 0 0 52 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.786 103.2 50.0 -59.6 -31.4 33.0 26.7 211.5 23 110 A Y G <<5S- 0 0 63 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.299 135.9 -84.4 -95.9 9.9 29.2 26.9 212.3 24 111 A G T < 5S+ 0 0 37 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.344 74.9 150.3 113.2 -4.4 28.9 30.5 211.1 25 112 A A < - 0 0 4 -5,-1.9 -1,-0.3 1,-0.1 8,-0.1 -0.314 23.8-171.6 -63.6 139.5 29.9 32.6 214.1 26 113 A K - 0 0 116 5,-0.2 -1,-0.1 29,-0.1 27,-0.1 0.782 11.6-157.5-100.2 -33.8 31.5 36.0 213.2 27 114 A G + 0 0 9 4,-0.2 26,-1.1 28,-0.1 27,-0.2 0.897 47.7 133.5 54.1 45.1 32.7 37.2 216.6 28 115 A D E S-b 53 0A 82 24,-0.2 26,-0.2 3,-0.2 -1,-0.1 0.363 76.4-110.3-106.9 1.3 32.7 40.7 215.3 29 116 A G E S+ 0 0 32 24,-2.3 25,-0.1 2,-0.2 3,-0.1 0.474 108.0 53.2 83.4 2.6 30.9 42.4 218.2 30 117 A V E S+ 0 0 110 23,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.627 80.9 84.8-130.7 -53.6 27.8 43.0 216.1 31 118 A T E S- 0 0 58 1,-0.1 24,-0.7 2,-0.1 2,-0.6 -0.333 79.6-114.8 -66.0 135.1 26.5 39.9 214.4 32 119 A D E +b 55 0A 67 1,-0.1 3,-0.2 22,-0.1 24,-0.2 -0.597 35.6 177.8 -69.6 114.0 24.1 37.6 216.3 33 120 A D > + 0 0 4 22,-3.1 4,-1.8 -2,-0.6 3,-0.4 0.287 43.8 110.6-104.1 9.4 26.1 34.3 216.7 34 121 A I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.857 75.7 52.3 -56.6 -40.7 23.6 32.3 218.7 35 122 A R H > S+ 0 0 122 -3,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 108.0 52.6 -67.3 -36.1 22.7 29.8 216.0 36 123 A A H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.895 111.4 46.3 -61.2 -44.3 26.4 29.0 215.4 37 124 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.943 113.3 49.1 -62.3 -48.6 26.8 28.4 219.2 38 125 A E H X S+ 0 0 40 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.904 113.3 46.8 -59.9 -43.3 23.7 26.2 219.3 39 126 A K H X S+ 0 0 80 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.923 114.7 45.4 -64.6 -47.4 24.8 24.2 216.2 40 127 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 5,-0.4 0.932 113.9 50.2 -60.5 -45.6 28.3 23.6 217.5 41 128 A I H >< S+ 0 0 15 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.865 111.8 46.2 -64.5 -38.1 27.0 22.7 221.0 42 129 A E H 3< S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.595 92.9 85.0 -79.0 -9.3 24.5 20.2 219.7 43 130 A S T << S- 0 0 38 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.677 97.1-123.9 -68.2 -22.0 27.1 18.6 217.3 44 131 A G S < S+ 0 0 72 -3,-0.7 -1,-0.1 1,-0.4 -3,-0.1 0.249 74.8 110.9 92.9 -12.8 28.5 16.3 220.0 45 132 A F S S- 0 0 89 -5,-0.4 -1,-0.4 1,-0.1 22,-0.3 -0.588 82.2 -93.2 -88.3 155.6 32.1 17.6 219.6 46 133 A P - 0 0 59 0, 0.0 -28,-2.9 0, 0.0 2,-0.5 -0.465 49.3-130.9 -58.7 140.3 34.1 19.7 222.1 47 134 A V E -ac 18 68A 2 20,-3.3 22,-2.8 -30,-0.2 2,-0.4 -0.869 18.7-160.7-108.4 131.2 33.4 23.3 221.2 48 135 A Y E -ac 19 69A 34 -30,-3.1 -28,-2.1 -2,-0.5 -27,-0.3 -0.894 5.8-158.8-110.2 137.0 36.2 26.0 220.8 49 136 A V E - c 0 70A 0 20,-2.6 22,-1.5 -2,-0.4 23,-0.2 -0.959 18.5-165.9-113.0 111.2 35.6 29.7 220.9 50 137 A P - 0 0 22 0, 0.0 21,-0.2 0, 0.0 27,-0.2 -0.049 44.5 -43.0 -83.6-170.3 38.5 31.6 219.2 51 138 A Y S S+ 0 0 170 25,-0.1 25,-0.3 20,-0.1 2,-0.2 -0.296 93.1 80.4 -54.3 134.1 39.4 35.3 219.4 52 139 A G E S- d 0 76A 1 23,-2.6 25,-2.6 -3,-0.1 2,-0.6 -0.781 77.6 -92.6 154.1 168.2 36.4 37.5 219.1 53 140 A T E -bd 28 77A 48 -26,-1.1 -24,-2.3 -2,-0.2 2,-0.8 -0.956 41.6-159.4-107.5 106.1 33.4 39.2 220.7 54 141 A F E - d 0 78A 0 23,-3.4 25,-2.5 -2,-0.6 2,-0.2 -0.795 5.1-152.2 -95.9 106.8 30.5 36.8 220.1 55 142 A M E -bd 32 79A 8 -2,-0.8 -22,-3.1 -24,-0.7 2,-0.4 -0.520 11.2-166.8 -80.7 148.7 27.1 38.6 220.3 56 143 A V E - d 0 80A 0 23,-1.9 25,-2.4 -24,-0.2 28,-0.1 -0.999 21.8-160.0-144.6 133.0 24.1 36.5 221.3 57 144 A S S S+ 0 0 37 -2,-0.4 2,-0.3 23,-0.2 28,-0.3 0.536 83.3 17.2 -95.0 -10.6 20.4 37.4 221.2 58 145 A R S S- 0 0 88 26,-0.1 -1,-0.1 32,-0.1 26,-0.0 -0.954 100.0 -69.3-148.5 168.0 19.3 34.8 223.7 59 146 A G - 0 0 1 -2,-0.3 2,-0.7 1,-0.1 32,-0.2 -0.210 45.2-116.7 -60.4 146.8 21.0 32.6 226.4 60 147 A I E -w 91 0B 1 30,-3.1 32,-2.4 -4,-0.1 2,-0.4 -0.795 29.6-150.9 -86.1 114.1 23.4 29.8 225.5 61 148 A K E -w 92 0B 101 -2,-0.7 32,-0.2 30,-0.2 -20,-0.0 -0.725 5.0-152.2 -90.8 134.1 21.9 26.5 226.7 62 149 A L E -w 93 0B 0 30,-2.3 32,-2.7 -2,-0.4 33,-0.4 -0.926 6.2-158.6-111.8 121.6 24.3 23.7 227.7 63 150 A P - 0 0 41 0, 0.0 3,-0.4 0, 0.0 37,-0.1 -0.287 40.3 -70.8 -82.8 177.3 23.4 20.1 227.4 64 151 A S S S+ 0 0 40 1,-0.2 38,-0.2 35,-0.1 39,-0.1 -0.288 116.1 27.9 -63.4 154.7 25.0 17.2 229.2 65 152 A N S S+ 0 0 113 36,-2.7 2,-0.4 37,-0.3 38,-0.2 0.907 84.7 159.4 57.3 47.1 28.5 16.2 228.2 66 153 A T E - e 0 103A 7 36,-1.3 38,-2.7 -3,-0.4 2,-0.5 -0.848 26.4-171.5-100.3 134.7 29.5 19.6 227.0 67 154 A V E + e 0 104A 50 -2,-0.4 -20,-3.3 -22,-0.3 2,-0.5 -0.987 13.0 172.4-119.3 115.5 33.1 20.8 226.6 68 155 A L E +ce 47 105A 0 36,-2.8 38,-2.0 -2,-0.5 2,-0.4 -0.963 4.6 168.7-126.3 112.7 33.2 24.5 225.8 69 156 A T E -ce 48 106A 42 -22,-2.8 -20,-2.6 -2,-0.5 38,-0.2 -0.962 13.4-159.5-128.7 142.4 36.6 26.2 225.8 70 157 A G E -c 49 0A 5 36,-2.4 38,-0.1 -2,-0.4 3,-0.1 -0.560 37.1-102.2-109.3 177.2 37.7 29.6 224.7 71 158 A A S S- 0 0 33 -22,-1.5 2,-0.2 1,-0.3 37,-0.2 0.601 85.4 -77.2 -72.5 -13.9 41.0 31.3 223.6 72 159 A G >> - 0 0 15 35,-1.9 4,-2.3 -23,-0.2 3,-1.6 -0.600 63.4 -43.7 138.3 164.5 41.1 33.0 227.1 73 160 A K T 34 S+ 0 0 73 35,-0.3 4,-0.1 1,-0.3 72,-0.1 -0.358 127.8 10.9 -55.3 139.0 39.6 35.7 229.2 74 161 A R T 34 S+ 0 0 195 2,-0.4 -1,-0.3 1,-0.1 3,-0.2 0.765 125.2 68.4 57.8 27.6 39.4 39.0 227.3 75 162 A N T <4 S+ 0 0 59 -3,-1.6 -23,-2.6 1,-0.5 2,-0.7 0.440 102.1 35.1-133.5 -65.2 40.2 37.0 224.1 76 163 A A E < S-d 52 0A 0 -4,-2.3 33,-2.6 -25,-0.3 -1,-0.5 -0.894 82.6-178.7 -88.6 115.0 37.1 34.9 223.6 77 164 A V E -df 53 109A 24 -25,-2.6 -23,-3.4 -2,-0.7 2,-0.5 -0.982 15.5-163.3-121.7 131.6 34.3 37.2 224.8 78 165 A I E +df 54 110A 0 31,-3.0 33,-3.3 -2,-0.4 2,-0.4 -0.968 19.8 177.9-116.9 126.6 30.6 36.1 224.9 79 166 A R E -df 55 111A 45 -25,-2.5 -23,-1.9 -2,-0.5 33,-0.2 -0.988 31.5-120.3-141.7 134.3 28.1 39.0 225.2 80 167 A F E -d 56 0A 7 31,-1.6 -23,-0.2 -2,-0.4 2,-0.1 -0.473 40.9-115.0 -64.0 139.5 24.3 39.7 225.3 81 168 A M > - 0 0 40 -25,-2.4 3,-1.9 -2,-0.1 -1,-0.1 -0.435 23.7-110.8 -72.7 154.5 23.1 42.0 222.5 82 169 A D T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.765 116.3 58.0 -54.7 -27.8 21.7 45.4 223.4 83 170 A S T 3 S+ 0 0 96 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.454 75.4 122.3 -87.2 -2.9 18.2 44.2 222.3 84 171 A V < - 0 0 16 -3,-1.9 -26,-0.1 -28,-0.1 -27,-0.0 -0.421 50.7-146.2 -68.6 131.5 17.9 41.2 224.7 85 172 A G - 0 0 50 -28,-0.3 2,-0.3 -2,-0.2 3,-0.2 0.286 29.1 -67.4 -76.9-153.7 14.9 41.3 227.0 86 173 A R S S+ 0 0 99 1,-0.1 -1,-0.2 37,-0.0 37,-0.0 -0.696 92.8 46.5-106.1 151.9 14.5 40.0 230.6 87 174 A G S S+ 0 0 25 -2,-0.3 2,-0.4 1,-0.2 42,-0.2 0.111 78.3 96.3 117.5 -21.7 14.5 36.6 232.2 88 175 A E - 0 0 53 -3,-0.2 -1,-0.2 40,-0.2 2,-0.2 -0.845 61.5-132.8-108.2 140.2 17.4 34.6 230.9 89 176 A S - 0 0 1 -2,-0.4 42,-0.2 40,-0.2 3,-0.1 -0.507 30.1-119.3 -71.8 154.4 20.9 33.9 232.2 90 177 A L S S+ 0 0 0 40,-1.9 -30,-3.1 1,-0.3 2,-0.4 0.871 97.5 12.4 -65.5 -39.8 23.6 34.4 229.5 91 178 A M E S+wx 60 132B 0 40,-1.2 42,-2.3 39,-0.3 2,-0.3 -0.996 79.2 145.8-141.7 132.0 24.8 30.8 229.8 92 179 A Y E -wx 61 133B 18 -32,-2.4 -30,-2.3 -2,-0.4 42,-0.2 -0.981 50.6 -84.6-160.6 160.9 23.0 28.0 231.6 93 180 A N E -w 62 0B 0 40,-1.0 6,-0.1 -2,-0.3 -32,-0.1 -0.490 38.5-127.0 -73.6 143.0 22.4 24.2 231.4 94 181 A E S S+ 0 0 90 -32,-2.7 2,-1.5 1,-0.2 3,-0.1 0.886 96.7 65.8 -61.0 -46.3 19.4 23.3 229.2 95 182 A N > + 0 0 48 -33,-0.4 4,-1.6 1,-0.2 -1,-0.2 -0.614 63.5 176.6 -84.8 90.6 17.5 21.1 231.6 96 183 A V T 4 S+ 0 0 28 -2,-1.5 65,-2.9 1,-0.2 -1,-0.2 0.772 73.6 38.0 -64.9 -31.3 16.5 23.8 234.1 97 184 A T T 4 S+ 0 0 86 63,-0.3 -1,-0.2 -3,-0.1 63,-0.2 0.851 130.3 20.0 -97.0 -40.0 14.4 21.6 236.4 98 185 A T T 4 S- 0 0 83 1,-0.2 -2,-0.2 62,-0.1 62,-0.1 0.554 102.3-137.6-111.7 -8.3 16.1 18.2 236.6 99 186 A G < - 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