==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 27-JUN-12 4FSJ . COMPND 2 MOLECULE: CAPSID PROTEIN BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: FLOCK HOUSE VIRUS; . AUTHOR J.A.SPEIR,Z.CHEN,V.S.REDDY,J.E.JOHNSON . 987 7 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 28.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 3 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 . 93 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 1 0 0 0 0 1 4 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 9 0 7 4 5 5 1 3 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 21 A Q 0 0 245 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.1 79.0 6.3 98.7 2 22 A T - 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.915 360.0-132.7-109.6 113.5 76.6 7.3 101.5 3 23 A A - 0 0 83 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.448 26.1-114.0 -67.5 127.4 73.1 5.7 101.4 4 24 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 511,-0.1 -0.277 31.9-107.7 -60.6 144.3 70.2 8.1 101.9 5 25 A V - 0 0 58 509,-0.2 2,-0.5 1,-0.1 509,-0.2 -0.658 34.4-117.0 -78.5 119.4 68.2 7.7 105.2 6 26 A P - 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.402 36.0-165.3 -62.0 110.6 64.7 6.2 104.4 7 27 A Q 0 0 90 -2,-0.5 506,-0.1 506,-0.0 0, 0.0 -0.635 360.0 360.0 -98.0 153.3 62.1 8.8 105.4 8 28 A Q 0 0 226 504,-0.2 504,-0.4 -2,-0.2 0, 0.0 -0.972 360.0 360.0-140.3 360.0 58.3 8.2 105.9 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 57 A T 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.4 26.7 43.8 98.7 11 58 A R - 0 0 230 1,-0.0 284,-0.2 0, 0.0 285,-0.1 -0.886 360.0 -94.2-128.7 159.0 25.2 45.8 101.6 12 59 A L - 0 0 45 -2,-0.3 2,-0.1 1,-0.1 282,-0.0 -0.277 34.7-123.0 -69.5 151.7 25.2 45.7 105.4 13 60 A S > - 0 0 47 1,-0.1 4,-2.4 25,-0.0 5,-0.3 -0.310 33.1 -97.8 -86.0 175.2 22.7 44.0 107.5 14 61 A Q H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.951 125.4 36.5 -59.0 -55.1 20.6 45.7 110.2 15 62 A P H > S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 20,-0.4 0.731 115.8 58.1 -70.7 -23.2 22.8 44.7 113.2 16 63 A G H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.862 110.1 40.4 -73.9 -39.9 25.9 45.1 111.0 17 64 A L H X S+ 0 0 51 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.897 114.7 53.4 -73.9 -40.0 25.1 48.8 110.2 18 65 A A H >X S+ 0 0 12 -4,-2.1 4,-2.6 -5,-0.3 3,-0.6 0.915 105.6 55.4 -56.9 -46.3 24.0 49.3 113.8 19 66 A F H 3X S+ 0 0 4 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.882 105.8 50.8 -54.4 -42.9 27.4 47.9 114.8 20 67 A L H 3X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.740 112.4 47.3 -70.4 -23.6 29.2 50.5 112.7 21 68 A K H S+ 0 0 6 0, 0.0 3,-1.1 0, 0.0 -4,-0.1 0.752 73.6 61.5 -78.7 -22.2 27.0 57.5 118.9 27 74 A P T 3 S+ 0 0 35 0, 0.0 289,-0.1 0, 0.0 -2,-0.0 0.683 95.9 65.4 -75.4 -15.6 26.4 61.2 119.6 28 75 A D T 3 S+ 0 0 52 -3,-0.4 2,-0.4 -7,-0.1 3,-0.1 0.313 92.3 75.6 -87.6 7.2 24.8 61.5 116.2 29 76 A F < - 0 0 56 -3,-1.1 0, 0.0 1,-0.1 0, 0.0 -0.974 69.4-143.4-129.1 137.8 21.9 59.2 117.0 30 77 A N S S+ 0 0 173 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.790 91.7 29.3 -60.5 -27.9 18.8 59.7 119.0 31 78 A T S S- 0 0 103 -3,-0.1 3,-0.1 0, 0.0 -3,-0.0 -0.894 99.6 -83.1-136.5 163.3 19.2 56.1 120.1 32 79 A D - 0 0 53 -2,-0.3 -2,-0.1 1,-0.2 -10,-0.1 -0.484 41.3-167.9 -59.1 105.3 21.7 53.4 120.8 33 80 A P + 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -14,-0.2 0.951 53.1 101.8 -65.8 -43.4 22.1 52.2 117.2 34 81 A G + 0 0 16 -16,-0.3 -15,-0.1 -15,-0.1 3,-0.1 0.105 33.4 164.2 -44.8 143.4 24.0 49.1 118.3 35 82 A K - 0 0 98 1,-0.6 2,-0.2 -20,-0.4 -1,-0.1 0.235 62.5 -61.3-143.6 7.5 22.5 45.6 118.5 36 83 A G - 0 0 11 -21,-0.2 -1,-0.6 253,-0.1 253,-0.1 -0.769 64.8 -57.2 135.4 178.5 25.5 43.4 118.7 37 84 A I - 0 0 0 -2,-0.2 2,-2.6 253,-0.1 -21,-0.1 -0.889 34.5-146.3-103.4 115.6 28.6 42.3 116.9 38 85 A P + 0 0 0 0, 0.0 255,-2.6 0, 0.0 259,-0.2 -0.168 60.4 124.4 -70.9 44.7 28.0 40.8 113.4 39 86 A D S S- 0 0 5 -2,-2.6 -2,-0.0 2,-0.3 163,-0.0 -0.503 84.3 -81.0-101.3 176.0 30.9 38.4 113.9 40 87 A R S S+ 0 0 38 818,-0.2 252,-0.4 -2,-0.2 819,-0.1 0.855 104.8 88.9 -39.5 -53.4 30.9 34.7 113.7 41 88 A F + 0 0 5 162,-0.1 -2,-0.3 1,-0.1 -4,-0.1 -0.230 42.3 168.0 -56.2 134.7 29.5 34.2 117.2 42 89 A E + 0 0 7 815,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.013 33.1 125.5-137.1 26.8 25.7 34.2 117.6 43 90 A G S S- 0 0 24 245,-0.2 246,-2.9 1,-0.2 2,-0.2 -0.075 71.5 -59.3 -80.5-176.4 25.2 33.0 121.2 44 91 A K E +A 288 0A 44 244,-0.2 2,-0.3 242,-0.1 244,-0.2 -0.483 68.3 152.1 -69.6 130.0 23.2 34.6 124.0 45 92 A V E -A 287 0A 0 242,-1.7 242,-2.4 -2,-0.2 2,-0.4 -0.907 39.2-130.4-148.7 171.5 24.4 38.1 125.0 46 93 A V E -B 274 0B 15 228,-1.7 228,-2.0 -2,-0.3 2,-0.5 -0.989 19.5-142.5-134.4 121.6 23.1 41.3 126.4 47 94 A S E -B 273 0B 41 -2,-0.4 2,-0.5 238,-0.3 226,-0.2 -0.754 20.3-174.7 -86.0 121.3 23.9 44.6 124.7 48 95 A R E -B 272 0B 83 224,-2.0 224,-2.7 -2,-0.5 2,-0.8 -0.985 15.1-158.6-122.9 126.0 24.6 47.5 127.1 49 96 A K E -B 271 0B 43 -2,-0.5 2,-0.4 222,-0.2 222,-0.3 -0.865 16.4-160.3-103.9 96.5 25.2 51.1 125.9 50 97 A D E +B 270 0B 6 220,-3.7 220,-2.7 -2,-0.8 2,-0.4 -0.662 14.0 175.7 -81.7 127.1 27.1 52.8 128.8 51 98 A V E -B 269 0B 54 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.988 7.2-176.3-139.0 128.7 27.0 56.6 128.8 52 99 A L E -B 268 0B 13 216,-1.3 216,-1.4 -2,-0.4 2,-0.5 -0.967 10.0-162.2-125.2 135.0 28.4 59.0 131.3 53 100 A N E -B 267 0B 97 -2,-0.4 2,-0.5 214,-0.2 214,-0.2 -0.964 14.9-176.0-120.3 115.1 28.1 62.8 131.5 54 101 A Q E -B 266 0B 67 212,-3.1 212,-2.1 -2,-0.5 2,-0.4 -0.940 16.8-154.5-119.4 117.8 30.7 64.5 133.7 55 102 A S E +B 265 0B 98 -2,-0.5 2,-0.3 210,-0.2 210,-0.2 -0.718 32.7 172.2 -83.3 130.9 30.8 68.2 134.5 56 103 A I E -B 264 0B 36 208,-2.9 208,-2.3 -2,-0.4 2,-0.4 -0.996 31.6-155.6-151.8 146.2 34.4 69.0 135.4 57 104 A S E -B 263 0B 98 -2,-0.3 2,-0.5 206,-0.2 206,-0.2 -0.946 25.2-131.4-116.9 136.9 36.9 71.9 136.1 58 105 A F E -B 262 0B 13 204,-3.3 204,-0.7 -2,-0.4 2,-0.1 -0.784 20.3-115.0 -99.6 129.5 40.6 71.6 135.6 59 106 A T > - 0 0 78 -2,-0.5 3,-1.1 1,-0.1 197,-0.3 -0.319 36.1-120.8 -55.8 125.6 43.1 72.5 138.1 60 107 A A T 3 S+ 0 0 32 1,-0.2 198,-0.3 200,-0.1 3,-0.1 -0.398 96.2 23.8 -71.4 149.3 45.2 75.4 136.8 61 108 A G T 3 S+ 0 0 14 195,-1.2 22,-2.8 196,-0.8 2,-0.3 0.608 108.1 108.5 70.4 11.0 49.0 74.9 136.4 62 109 A Q E < -GH 82 256C 41 -3,-1.1 194,-2.4 194,-0.6 2,-0.7 -0.866 66.0-144.2-119.7 150.0 48.1 71.3 136.2 63 110 A D E -GH 81 255C 4 18,-3.7 18,-2.1 -2,-0.3 2,-0.5 -0.949 25.5-155.5-113.9 103.0 48.2 68.8 133.4 64 111 A T E -GH 80 254C 12 190,-1.9 190,-2.3 -2,-0.7 2,-0.5 -0.740 3.5-153.4 -86.6 124.2 45.2 66.5 134.1 65 112 A F E -GH 79 253C 1 14,-2.8 14,-0.9 -2,-0.5 2,-0.4 -0.881 11.1-172.4-103.4 121.6 45.5 63.0 132.5 66 113 A I E -GH 78 252C 2 186,-2.4 186,-2.4 -2,-0.5 2,-0.5 -0.894 4.9-159.4-114.3 143.1 42.4 61.1 131.6 67 114 A L E -GH 77 251C 14 10,-2.2 10,-1.5 -2,-0.4 2,-1.1 -0.962 11.7-161.5-130.4 121.8 42.3 57.5 130.5 68 115 A I E + H 0 250C 2 182,-2.4 182,-1.8 -2,-0.5 8,-0.2 -0.819 32.1 172.4 -98.5 99.3 39.6 55.7 128.6 69 116 A A - 0 0 5 -2,-1.1 2,-3.1 6,-0.3 5,-0.1 -0.829 47.5-103.8-115.2 156.1 40.4 52.2 129.3 70 117 A P S S+ 0 0 0 0, 0.0 175,-2.5 0, 0.0 5,-0.1 -0.186 71.6 134.1 -65.8 49.1 38.6 48.9 128.5 71 118 A T > - 0 0 3 -2,-3.1 3,-1.8 3,-0.4 173,-0.2 -0.888 57.7-126.6-107.8 104.8 37.5 48.5 132.2 72 119 A P T 3 S+ 0 0 0 0, 0.0 170,-0.5 0, 0.0 171,-0.2 -0.158 90.2 12.8 -48.7 138.7 33.9 47.5 132.3 73 120 A G T 3 S+ 0 0 5 1,-0.1 25,-4.1 168,-0.1 2,-0.6 0.060 106.6 96.6 81.8 -26.5 31.7 49.8 134.5 74 121 A V E < - I 0 97C 0 -3,-1.8 -3,-0.4 23,-0.3 23,-0.2 -0.886 55.6-163.1-104.8 118.7 34.4 52.5 134.7 75 122 A A E - 0 0 2 21,-1.6 -6,-0.3 -2,-0.6 2,-0.3 0.984 65.2 -34.8 -57.4 -64.2 34.1 55.4 132.4 76 123 A Y E - I 0 96C 15 20,-0.9 20,-2.4 -8,-0.2 2,-0.4 -0.903 50.3-117.0-152.5 179.8 37.7 56.6 132.8 77 124 A W E -GI 67 95C 2 -10,-1.5 -10,-2.2 -2,-0.3 2,-0.3 -0.989 30.2-172.4-129.6 133.6 40.6 57.1 135.1 78 125 A S E +GI 66 94C 33 16,-2.0 16,-2.0 -2,-0.4 2,-0.2 -0.827 17.5 152.8-128.3 165.1 42.0 60.5 136.1 79 126 A A E -G 65 0C 17 -14,-0.9 -14,-2.8 -2,-0.3 2,-0.4 -0.816 27.3-138.3-179.7 145.7 45.0 62.0 138.0 80 127 A S E -G 64 0C 53 -16,-0.3 -16,-0.2 -2,-0.2 6,-0.1 -0.930 15.4-175.9-123.3 146.3 46.7 65.4 137.6 81 128 A V E -G 63 0C 9 -18,-2.1 -18,-3.7 -2,-0.4 4,-0.1 -0.887 45.6 -67.9-130.2 163.3 50.4 66.3 137.7 82 129 A P E > -G 62 0C 71 0, 0.0 3,-1.8 0, 0.0 -20,-0.3 -0.237 67.9 -89.2 -52.3 136.8 52.2 69.7 137.5 83 130 A A T 3 S+ 0 0 41 -22,-2.8 3,-0.1 1,-0.3 -20,-0.1 -0.133 116.2 28.9 -47.8 139.6 51.9 71.4 134.1 84 131 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.447 107.4 93.2 86.5 0.1 54.7 70.2 131.8 85 132 A T < - 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