==== 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 3GQA . 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) . 24668.0 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 . 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 . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 5.8 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 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 0 110 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.5 35.9 30.7 196.4 2 89 A F H > + 0 0 164 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.939 360.0 49.6 -65.5 -49.9 39.5 29.5 196.7 3 90 A A H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.899 107.6 55.7 -54.8 -42.3 39.6 30.7 200.3 4 91 A D H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 107.5 48.7 -59.0 -39.3 36.3 28.8 200.9 5 92 A L H X S+ 0 0 108 -4,-1.4 4,-1.3 -3,-0.2 -1,-0.2 0.895 112.0 48.2 -66.7 -41.9 37.9 25.6 199.6 6 93 A V H >X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 3,-0.6 0.955 111.4 50.3 -60.4 -51.3 41.0 26.1 201.9 7 94 A I H 3X S+ 0 0 82 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.899 105.7 57.4 -51.7 -45.3 38.7 26.9 204.9 8 95 A Q H 3X S+ 0 0 122 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.848 107.7 47.3 -54.9 -38.8 36.7 23.6 204.1 9 96 A V H X S+ 0 0 90 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.922 110.4 51.3 -52.5 -49.4 40.9 23.3 207.7 11 98 A D H >< S+ 0 0 45 -4,-2.9 3,-0.7 1,-0.3 -1,-0.2 0.844 106.1 54.2 -59.6 -38.2 37.4 22.6 209.1 12 99 A E H 3< S+ 0 0 160 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.757 99.0 63.7 -67.3 -26.4 37.7 19.0 208.2 13 100 A L H << S- 0 0 111 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.789 87.0-159.9 -66.6 -29.3 40.9 18.7 210.1 14 101 A K << + 0 0 91 -4,-0.8 -3,-0.1 -3,-0.7 4,-0.1 0.922 19.8 171.9 47.9 59.5 39.0 19.5 213.3 15 102 A Q S S+ 0 0 152 -5,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.789 81.8 20.4 -70.7 -27.3 42.1 20.7 215.2 16 103 A F S S- 0 0 128 1,-0.6 2,-0.4 30,-0.1 -1,-0.2 0.434 124.7 -91.6-110.9 -5.2 40.2 22.0 218.2 17 104 A G S S- 0 0 16 -6,-0.1 -1,-0.6 31,-0.1 2,-0.5 -0.984 86.3 -21.1 114.2-140.0 37.0 20.0 217.6 18 105 A V E -a 47 0A 5 28,-2.9 30,-3.0 -2,-0.4 2,-0.3 -0.938 65.5-135.0-108.5 130.2 34.5 21.9 215.4 19 106 A S E >> -a 48 0A 25 -2,-0.5 3,-1.0 28,-0.2 4,-0.6 -0.587 12.9-132.4 -76.3 140.9 34.7 25.7 215.1 20 107 A V G >4>S+ 0 0 0 28,-2.1 5,-1.8 -2,-0.3 3,-0.7 0.766 108.7 65.3 -59.5 -26.0 31.4 27.7 215.4 21 108 A K G >45S+ 0 0 97 27,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.805 89.4 65.0 -67.6 -30.7 32.6 29.5 212.3 22 109 A T G <45S+ 0 0 53 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.829 102.7 48.7 -54.6 -34.8 32.3 26.2 210.4 23 110 A Y G <<5S- 0 0 62 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.292 136.3 -83.7 -95.4 10.3 28.5 26.5 211.1 24 111 A G T < 5S+ 0 0 38 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.497 73.2 154.5 109.1 6.1 28.3 30.1 209.9 25 112 A A < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.1 8,-0.1 -0.411 21.8-171.6 -65.0 137.2 29.3 32.2 212.9 26 113 A K - 0 0 112 5,-0.1 -1,-0.1 29,-0.1 28,-0.1 0.858 10.1-159.5 -94.3 -43.2 30.8 35.6 212.1 27 114 A G + 0 0 9 4,-0.2 26,-1.0 28,-0.1 27,-0.2 0.912 46.8 132.5 60.3 45.8 32.0 36.8 215.5 28 115 A D E S-b 53 0A 79 3,-0.2 26,-0.2 24,-0.2 -1,-0.1 0.181 77.5-109.5-113.3 11.6 32.0 40.4 214.2 29 116 A G E S+ 0 0 33 24,-2.7 25,-0.1 2,-0.2 3,-0.1 0.471 108.9 52.8 74.0 1.1 30.2 42.1 217.1 30 117 A V E S+ 0 0 112 23,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.651 80.8 83.7-130.9 -49.8 27.1 42.6 214.8 31 118 A T E S- 0 0 57 1,-0.1 2,-0.8 2,-0.1 24,-0.7 -0.376 79.3-114.6 -70.9 139.7 25.8 39.5 213.2 32 119 A D E +b 55 0A 64 1,-0.1 3,-0.3 22,-0.1 24,-0.2 -0.656 35.8 176.4 -72.9 109.5 23.4 37.1 215.1 33 120 A D > + 0 0 4 22,-3.2 4,-2.0 -2,-0.8 3,-0.4 0.267 43.6 111.6 -98.0 10.2 25.5 33.9 215.4 34 121 A I H > S+ 0 0 2 21,-0.3 4,-2.7 1,-0.2 5,-0.2 0.863 75.8 52.2 -55.7 -40.2 22.9 32.0 217.6 35 122 A R H > S+ 0 0 121 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.894 107.4 52.1 -65.8 -39.0 22.1 29.4 214.8 36 123 A A H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.936 111.2 47.9 -61.7 -45.9 25.7 28.6 214.3 37 124 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.944 113.2 47.6 -58.3 -49.5 26.1 28.0 218.0 38 125 A E H X S+ 0 0 46 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.913 114.4 46.5 -59.0 -45.9 23.0 25.8 218.1 39 126 A K H X S+ 0 0 77 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.955 114.6 46.4 -61.1 -52.6 24.1 23.8 215.1 40 127 A A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.2 5,-0.5 0.922 113.5 49.6 -53.3 -46.5 27.7 23.3 216.4 41 128 A I H >< S+ 0 0 16 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.813 111.5 47.9 -69.0 -31.3 26.4 22.3 219.8 42 129 A E H 3< S+ 0 0 141 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.538 91.3 83.4 -83.9 -7.7 23.9 19.8 218.4 43 130 A S T << S- 0 0 38 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.671 98.0-123.4 -71.2 -20.5 26.5 18.2 216.1 44 131 A G S < S+ 0 0 72 -3,-0.6 -3,-0.1 1,-0.3 -1,-0.1 0.298 74.3 113.7 91.0 -7.5 27.9 15.9 218.9 45 132 A F S S- 0 0 91 -5,-0.5 -1,-0.3 1,-0.1 22,-0.3 -0.614 80.8 -94.1 -92.4 154.5 31.4 17.3 218.5 46 133 A P - 0 0 59 0, 0.0 -28,-2.9 0, 0.0 2,-0.4 -0.484 49.1-133.3 -58.0 138.5 33.4 19.3 221.0 47 134 A V E -ac 18 68A 3 20,-3.3 22,-2.6 -30,-0.2 2,-0.4 -0.830 17.7-160.9-105.7 135.8 32.8 22.9 220.0 48 135 A Y E -ac 19 69A 33 -30,-3.0 -28,-2.1 -2,-0.4 -27,-0.3 -0.938 5.6-158.4-115.9 137.1 35.5 25.6 219.7 49 136 A V E - c 0 70A 0 20,-2.7 22,-1.5 -2,-0.4 23,-0.2 -0.954 18.2-165.6-113.5 113.3 35.0 29.4 219.8 50 137 A P - 0 0 23 0, 0.0 27,-0.2 0, 0.0 21,-0.2 -0.077 43.7 -42.2 -86.8-170.8 37.9 31.2 218.1 51 138 A Y S S+ 0 0 169 25,-0.1 25,-0.2 20,-0.1 2,-0.2 -0.199 92.7 76.6 -51.7 138.2 38.7 35.0 218.3 52 139 A G E S- d 0 76A 0 23,-2.5 25,-2.6 -3,-0.1 2,-0.6 -0.722 78.8 -88.9 147.5 167.5 35.7 37.3 218.0 53 140 A T E -bd 28 77A 48 -26,-1.0 -24,-2.7 -2,-0.2 2,-0.7 -0.955 42.4-158.8-107.3 109.1 32.7 38.9 219.6 54 141 A F E - d 0 78A 0 23,-3.4 25,-2.3 -2,-0.6 2,-0.2 -0.810 5.4-150.9 -99.2 108.5 29.8 36.5 218.9 55 142 A M E -bd 32 79A 8 -2,-0.7 -22,-3.2 -24,-0.7 2,-0.4 -0.560 11.8-168.0 -85.0 142.5 26.4 38.1 219.1 56 143 A V E - d 0 80A 0 23,-2.2 25,-2.2 -2,-0.2 28,-0.1 -0.992 20.9-160.3-137.8 131.4 23.5 36.1 220.2 57 144 A S S S+ 0 0 39 -2,-0.4 2,-0.3 23,-0.2 28,-0.3 0.492 81.9 17.0 -92.4 -6.3 19.7 37.0 220.0 58 145 A R S S- 0 0 87 26,-0.1 -1,-0.1 32,-0.1 26,-0.0 -0.965 99.8 -65.6-153.1 169.7 18.7 34.4 222.6 59 146 A G - 0 0 0 -2,-0.3 2,-0.7 1,-0.1 32,-0.2 -0.218 45.0-121.5 -59.9 145.6 20.2 32.2 225.3 60 147 A I E -v 91 0B 2 30,-2.8 32,-2.2 29,-0.1 2,-0.4 -0.838 28.8-150.3 -90.9 113.5 22.7 29.4 224.4 61 148 A K E -v 92 0B 105 -2,-0.7 32,-0.2 30,-0.2 -20,-0.0 -0.732 4.0-149.8 -95.5 133.1 21.2 26.1 225.6 62 149 A L E -v 93 0B 0 30,-2.6 32,-3.2 -2,-0.4 33,-0.4 -0.869 7.6-160.6-107.8 121.1 23.6 23.4 226.6 63 150 A P - 0 0 39 0, 0.0 3,-0.3 0, 0.0 37,-0.1 -0.333 40.3 -71.7 -83.2 178.5 22.7 19.7 226.2 64 151 A S S S+ 0 0 39 1,-0.2 38,-0.2 35,-0.1 39,-0.1 -0.301 114.8 27.5 -65.9 155.4 24.4 16.8 228.1 65 152 A N S S+ 0 0 114 36,-2.7 2,-0.4 37,-0.2 38,-0.2 0.925 84.7 159.0 56.2 50.2 27.9 15.8 227.1 66 153 A T E - e 0 103A 8 36,-1.4 38,-2.6 -3,-0.3 2,-0.5 -0.893 27.2-170.4-105.4 133.9 28.9 19.2 225.8 67 154 A V E + e 0 104A 49 -2,-0.4 -20,-3.3 -22,-0.3 2,-0.5 -0.989 13.6 172.0-116.8 116.4 32.5 20.5 225.4 68 155 A L E +ce 47 105A 0 36,-2.7 38,-2.2 -2,-0.5 2,-0.4 -0.953 4.4 168.1-128.2 111.9 32.6 24.2 224.7 69 156 A T E -ce 48 106A 43 -22,-2.6 -20,-2.7 -2,-0.5 38,-0.2 -0.965 13.9-159.4-128.2 141.3 35.9 25.9 224.7 70 157 A G E -c 49 0A 5 36,-2.7 38,-0.1 -2,-0.4 3,-0.1 -0.548 37.5-102.9-108.5 176.4 37.1 29.3 223.5 71 158 A A S S- 0 0 33 -22,-1.5 37,-0.2 1,-0.3 2,-0.2 0.559 85.1 -79.9 -72.2 -11.1 40.3 31.0 222.5 72 159 A G >> - 0 0 15 35,-2.0 4,-2.4 -23,-0.2 3,-1.7 -0.533 62.2 -42.0 132.8 164.1 40.3 32.7 226.0 73 160 A K T 34 S+ 0 0 71 35,-0.3 4,-0.1 1,-0.3 72,-0.1 -0.322 127.8 10.5 -54.9 139.2 38.8 35.5 228.1 74 161 A R T 34 S+ 0 0 193 2,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.708 126.3 66.8 59.5 22.1 38.7 38.8 226.1 75 162 A N T <4 S+ 0 0 59 -3,-1.7 -23,-2.5 1,-0.5 2,-0.7 0.467 104.6 33.4-129.5 -67.7 39.6 36.8 223.0 76 163 A A E < S+d 52 0A 0 -4,-2.4 33,-2.7 -25,-0.2 -1,-0.5 -0.865 82.4 179.6 -89.4 115.8 36.5 34.6 222.5 77 164 A V E -df 53 109A 23 -25,-2.6 -23,-3.4 -2,-0.7 2,-0.4 -0.987 16.1-162.7-125.7 128.4 33.6 36.8 223.7 78 165 A I E +df 54 110A 0 31,-3.0 33,-3.4 -2,-0.4 2,-0.3 -0.953 20.3 177.3-114.1 131.5 29.9 35.8 223.7 79 166 A R E -df 55 111A 58 -25,-2.3 -23,-2.2 -2,-0.4 33,-0.2 -0.994 31.8-118.6-145.3 133.2 27.4 38.6 224.0 80 167 A F E -d 56 0A 6 31,-1.6 -23,-0.2 -2,-0.3 2,-0.1 -0.474 40.7-115.1 -64.9 139.5 23.6 39.3 224.1 81 168 A M > - 0 0 39 -25,-2.2 3,-1.8 -2,-0.1 -1,-0.1 -0.426 24.0-110.7 -70.2 152.8 22.4 41.6 221.3 82 169 A D T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.799 116.0 56.2 -52.1 -32.7 20.9 45.0 222.2 83 170 A S T 3 S+ 0 0 98 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.438 75.8 123.1 -86.7 -1.5 17.5 43.9 221.1 84 171 A V < - 0 0 15 -3,-1.8 -26,-0.1 -28,-0.1 -27,-0.0 -0.414 50.0-148.0 -65.0 132.0 17.2 40.8 223.4 85 172 A G - 0 0 49 -28,-0.3 3,-0.3 1,-0.2 2,-0.3 0.238 29.2 -65.0 -79.7-152.7 14.2 40.9 225.7 86 173 A R S S+ 0 0 98 1,-0.1 -1,-0.2 37,-0.0 37,-0.0 -0.671 91.6 50.8-106.7 151.4 13.7 39.6 229.2 87 174 A G S S+ 0 0 24 -2,-0.3 2,-0.4 1,-0.2 42,-0.2 0.206 77.4 92.1 120.5 -15.6 13.8 36.1 230.8 88 175 A E - 0 0 54 -3,-0.3 -1,-0.2 40,-0.2 2,-0.1 -0.913 61.1-133.3-118.0 139.8 16.9 34.2 229.7 89 176 A S - 0 0 1 -2,-0.4 42,-0.2 40,-0.2 3,-0.1 -0.484 34.5-116.8 -67.2 155.6 20.3 33.6 231.1 90 177 A L S S+ 0 0 0 40,-1.7 -30,-2.8 1,-0.2 2,-0.4 0.853 98.0 12.7 -64.4 -38.0 23.0 34.0 228.4 91 178 A M E S+vw 60 132B 0 40,-1.0 42,-2.3 39,-0.4 2,-0.3 -0.994 78.2 144.7-144.4 133.1 24.1 30.4 228.7 92 179 A Y E -vw 61 133B 20 -32,-2.2 -30,-2.6 -2,-0.4 42,-0.2 -0.982 50.5 -80.9-164.4 157.8 22.3 27.6 230.5 93 180 A N E -v 62 0B 0 40,-1.0 6,-0.1 -2,-0.3 -32,-0.1 -0.475 38.6-125.4 -71.6 141.8 21.7 23.9 230.3 94 181 A E S S+ 0 0 97 -32,-3.2 2,-1.3 1,-0.2 -1,-0.1 0.863 97.1 62.4 -49.9 -53.4 18.8 22.8 228.0 95 182 A N > + 0 0 41 -33,-0.4 4,-1.2 1,-0.2 -1,-0.2 -0.670 62.6 177.5 -89.3 96.1 16.8 20.7 230.5 96 183 A V T 4 S+ 0 0 32 -2,-1.3 65,-2.7 1,-0.2 -1,-0.2 0.735 73.1 41.9 -72.5 -25.1 15.8 23.4 233.0 97 184 A T T 4 S+ 0 0 85 63,-0.3 -1,-0.2 2,-0.1 63,-0.1 0.879 131.3 13.7 -95.4 -44.6 13.7 21.1 235.3 98 185 A T T 4 S- 0 0 81 1,-0.1 -2,-0.2 62,-0.1 62,-0.1 0.464 103.0-141.8-116.8 -4.3 15.5 17.8 235.6 99 186 A G < - 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