==== 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 4FTB . 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 . 1001 7 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 642 64.1 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 27.9 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 . 1 0.1 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-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 . 0 0.0 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 . 97 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 2 3 0 0 0 0 0 3 1 4 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 . 3 12 0 6 3 6 3 0 3 0 0 0 6 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 6 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 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 20 A T 0 0 185 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.1 79.5 8.7 97.3 2 21 A Q + 0 0 194 2,-0.1 2,-0.7 1,-0.0 0, 0.0 0.056 360.0 108.4-102.4 24.5 79.0 5.2 98.7 3 22 A T - 0 0 98 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.879 67.5-132.3-108.9 105.0 76.8 6.2 101.6 4 23 A A - 0 0 84 -2,-0.7 -2,-0.1 1,-0.1 0, 0.0 -0.203 27.6-104.7 -55.4 136.4 73.1 5.1 101.1 5 24 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 521,-0.1 -0.262 32.6-110.2 -63.2 146.7 70.3 7.7 101.8 6 25 A V - 0 0 61 519,-0.1 519,-0.2 1,-0.1 2,-0.1 -0.700 37.5-114.5 -82.0 120.8 68.3 7.5 105.0 7 26 A P - 0 0 115 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.334 28.5-155.5 -59.2 127.4 64.7 6.4 104.2 8 27 A Q - 0 0 71 -2,-0.1 2,-0.2 516,-0.0 3,-0.2 -0.914 14.3-177.6-109.1 126.2 62.1 9.1 105.0 9 28 A Q + 0 0 160 -2,-0.5 514,-0.4 514,-0.2 0, 0.0 -0.730 53.4 38.2-118.4 168.9 58.5 8.2 105.7 10 29 A N + 0 0 112 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.889 69.4 165.8 60.1 46.7 55.2 10.1 106.4 11 30 A V - 0 0 67 -3,-0.2 -1,-0.2 637,-0.1 636,-0.1 -0.800 38.4-110.5 -96.2 130.5 55.8 13.0 104.0 12 31 A P 0 0 41 0, 0.0 634,-0.1 0, 0.0 -1,-0.1 -0.200 360.0 360.0 -59.4 144.7 52.8 15.3 103.2 13 32 A R 0 0 261 632,-0.1 632,-0.0 634,-0.1 0, 0.0 0.213 360.0 360.0-142.7 360.0 51.3 15.2 99.7 14 ! 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 15 56 A L 0 0 190 0, 0.0 2,-0.2 0, 0.0 327,-0.1 0.000 360.0 360.0 360.0 72.3 27.9 44.2 94.8 16 57 A T - 0 0 108 1,-0.0 2,-0.3 285,-0.0 0, 0.0 -0.632 360.0-155.2 -94.5 150.3 27.0 43.3 98.4 17 58 A R - 0 0 202 -2,-0.2 284,-0.2 1,-0.1 285,-0.1 -0.790 25.9 -86.7-120.2 160.9 25.6 45.6 101.1 18 59 A L - 0 0 39 -2,-0.3 2,-0.1 283,-0.1 -1,-0.1 -0.278 34.6-121.1 -69.1 148.4 25.5 45.6 104.9 19 60 A S > - 0 0 39 278,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.361 32.8-104.9 -80.6 163.7 23.0 43.9 107.2 20 61 A Q H > S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.968 123.9 42.8 -57.4 -53.5 21.0 46.0 109.6 21 62 A P H > S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 20,-0.3 0.841 113.7 53.9 -61.3 -31.6 23.1 44.8 112.6 22 63 A G H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.869 111.2 44.3 -69.7 -37.5 26.2 45.3 110.5 23 64 A L H X S+ 0 0 45 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.906 114.2 49.4 -71.6 -42.3 25.4 48.8 109.7 24 65 A A H X S+ 0 0 14 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.867 105.9 58.4 -63.0 -38.3 24.4 49.6 113.3 25 66 A F H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.885 105.3 49.5 -59.2 -40.1 27.6 48.0 114.4 26 67 A L H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.749 111.3 50.5 -72.5 -24.5 29.5 50.6 112.3 27 68 A K H X S+ 0 0 45 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.949 110.8 44.5 -79.0 -50.8 27.5 53.4 113.8 28 69 A a H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.894 115.8 54.4 -59.7 -33.2 27.9 52.5 117.5 29 70 A A H < S+ 0 0 2 -4,-1.7 101,-0.3 -5,-0.3 -1,-0.2 0.872 125.4 11.7 -69.8 -38.2 31.6 52.0 116.6 30 71 A F H < S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.660 130.5 25.2-119.2 -17.0 32.4 55.3 115.0 31 72 A A < + 0 0 0 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.1 -0.394 54.2 149.3-150.2 71.3 29.7 57.9 115.6 32 73 A P S > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.815 74.7 59.1 -72.9 -31.5 27.5 57.5 118.7 33 74 A P T 3 S+ 0 0 36 0, 0.0 289,-0.1 0, 0.0 -2,-0.0 0.747 95.2 69.1 -69.3 -19.4 26.8 61.3 119.4 34 75 A D T 3 S+ 0 0 37 -3,-0.4 2,-0.4 -7,-0.1 3,-0.0 0.463 90.6 75.4 -76.5 -5.1 25.3 61.5 115.8 35 76 A F S < S- 0 0 56 -3,-1.3 0, 0.0 1,-0.1 0, 0.0 -0.929 70.6-140.7-123.2 142.0 22.3 59.4 116.7 36 77 A N S S+ 0 0 169 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.784 96.2 18.4 -57.5 -31.5 19.0 59.9 118.6 37 78 A T S S- 0 0 90 -3,-0.0 3,-0.1 -5,-0.0 -1,-0.0 -0.924 98.5 -84.6-139.0 164.5 19.5 56.4 119.9 38 79 A D - 0 0 71 -2,-0.3 -2,-0.1 1,-0.2 -14,-0.0 -0.578 36.9-165.0 -70.1 119.1 22.1 53.9 120.3 39 80 A P + 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 0.794 49.6 118.4 -75.7 -24.3 22.0 52.3 116.9 40 81 A G + 0 0 21 -16,-0.2 -15,-0.1 1,-0.1 3,-0.1 0.106 27.7 162.6 -43.8 146.9 24.1 49.3 118.2 41 82 A K - 0 0 89 1,-0.5 2,-0.2 -20,-0.3 -1,-0.1 0.363 58.1 -71.5-146.4 -6.3 22.8 45.7 118.2 42 83 A G - 0 0 10 -21,-0.2 -1,-0.5 253,-0.1 253,-0.1 -0.782 64.3 -49.7 135.3 179.6 25.8 43.5 118.6 43 84 A I - 0 0 0 -2,-0.2 2,-2.7 -3,-0.1 -21,-0.1 -0.822 38.9-146.9 -98.2 114.7 28.9 42.2 116.8 44 85 A P + 0 0 0 0, 0.0 255,-2.3 0, 0.0 259,-0.2 -0.281 59.8 119.1 -73.5 53.7 28.1 40.8 113.3 45 86 A D S S- 0 0 6 -2,-2.7 253,-0.0 251,-0.4 -2,-0.0 -0.636 86.7 -77.9-112.3 175.8 30.9 38.3 113.5 46 87 A R S S+ 0 0 44 -2,-0.2 252,-0.3 825,-0.2 2,-0.1 0.787 102.0 95.1 -42.1 -42.6 30.6 34.5 113.3 47 88 A F + 0 0 3 1,-0.1 -2,-0.4 250,-0.1 822,-0.1 -0.326 39.7 166.6 -61.3 132.7 29.4 34.2 117.0 48 89 A E + 0 0 10 822,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.008 31.4 124.3-135.4 27.3 25.6 34.0 117.4 49 90 A G S S- 0 0 22 245,-0.2 246,-2.3 1,-0.2 2,-0.2 -0.163 72.0 -61.4 -81.7-179.0 25.2 32.9 121.1 50 91 A K E +A 294 0A 43 244,-0.2 2,-0.3 242,-0.1 244,-0.2 -0.415 65.7 156.2 -67.5 133.2 23.3 34.6 123.8 51 92 A V E -A 293 0A 0 242,-2.9 242,-2.2 -2,-0.2 2,-0.4 -0.929 37.2-136.2-148.5 169.0 24.4 38.0 124.8 52 93 A V E -B 280 0B 11 228,-1.6 228,-2.5 -2,-0.3 2,-0.7 -0.996 20.8-145.2-132.2 122.4 23.2 41.2 126.4 53 94 A S E -B 279 0B 49 -2,-0.4 2,-0.5 238,-0.2 226,-0.2 -0.832 16.8-172.4 -93.5 118.1 24.2 44.4 124.7 54 95 A R E -B 278 0B 74 224,-2.5 224,-2.4 -2,-0.7 2,-0.8 -0.947 11.4-158.5-113.4 128.1 24.8 47.2 127.1 55 96 A K E -B 277 0B 45 -2,-0.5 2,-0.4 222,-0.2 222,-0.2 -0.880 15.6-162.0-106.6 98.9 25.4 50.7 125.8 56 97 A D E +B 276 0B 5 220,-2.7 220,-1.4 -2,-0.8 2,-0.4 -0.671 11.8 177.5 -85.5 131.6 27.3 52.6 128.6 57 98 A V E -B 275 0B 52 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.997 9.0-165.2-136.2 139.7 27.3 56.4 128.5 58 99 A L E -B 274 0B 12 216,-1.6 216,-1.2 -2,-0.4 2,-0.5 -0.990 7.3-167.1-128.9 133.8 28.8 58.9 130.9 59 100 A N E +B 273 0B 101 -2,-0.4 2,-0.5 214,-0.2 214,-0.2 -0.975 17.7 175.4-119.4 113.8 28.2 62.6 131.2 60 101 A Q E -B 272 0B 67 212,-2.7 212,-3.1 -2,-0.5 2,-0.5 -0.963 22.8-153.1-126.2 118.2 30.8 64.3 133.5 61 102 A S E +B 271 0B 99 -2,-0.5 2,-0.3 210,-0.2 210,-0.2 -0.753 33.0 178.2 -85.3 129.1 31.1 68.0 134.2 62 103 A I E -B 270 0B 29 208,-3.1 208,-2.1 -2,-0.5 2,-0.4 -0.981 28.4-151.2-140.6 152.3 34.7 68.6 135.0 63 104 A S E -B 269 0B 95 -2,-0.3 2,-0.5 206,-0.2 206,-0.2 -0.966 19.3-138.3-119.1 130.8 37.2 71.3 135.9 64 105 A F E -B 268 0B 10 204,-3.0 204,-0.7 -2,-0.4 2,-0.1 -0.800 21.9-119.8 -96.3 126.1 40.9 71.1 135.1 65 106 A T > - 0 0 84 -2,-0.5 3,-1.2 1,-0.1 197,-0.4 -0.380 32.5-119.3 -59.5 126.3 43.3 72.3 137.8 66 107 A A T 3 S+ 0 0 27 1,-0.2 198,-0.3 -2,-0.1 3,-0.1 -0.341 96.9 26.8 -69.0 151.0 45.4 75.2 136.4 67 108 A G T 3 S+ 0 0 12 195,-1.3 22,-2.8 196,-0.5 2,-0.3 0.505 107.1 104.6 75.2 2.5 49.2 74.6 136.3 68 109 A Q E < -G 88 0C 46 -3,-1.2 194,-2.0 194,-0.5 2,-0.6 -0.795 66.8-141.5-115.1 155.8 48.4 70.9 136.0 69 110 A D E -GH 87 261C 8 18,-3.4 18,-2.2 -2,-0.3 2,-0.4 -0.961 26.3-154.5-115.6 105.5 48.5 68.5 133.1 70 111 A T E -GH 86 260C 8 190,-2.4 190,-2.2 -2,-0.6 2,-0.6 -0.720 2.9-154.5 -87.6 129.9 45.6 66.2 133.6 71 112 A F E -GH 85 259C 0 14,-3.3 14,-1.0 -2,-0.4 2,-0.4 -0.921 8.8-170.7-109.6 120.8 45.8 62.7 132.2 72 113 A I E -GH 84 258C 0 186,-3.0 186,-2.9 -2,-0.6 2,-0.5 -0.912 4.7-160.8-110.9 134.9 42.6 60.8 131.3 73 114 A L E -GH 83 257C 4 10,-2.9 10,-1.8 -2,-0.4 2,-1.2 -0.949 8.6-163.6-120.2 113.6 42.7 57.1 130.3 74 115 A I E + H 0 256C 1 182,-2.8 182,-2.2 -2,-0.5 8,-0.2 -0.805 31.3 173.9 -93.3 95.9 39.8 55.6 128.4 75 116 A A - 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0 0 54 -3,-1.9 -1,-0.3 -4,-0.1 -4,-0.2 -0.638 61.1-136.8-117.3 175.8 55.4 66.5 133.1 92 133 A F - 0 0 55 -2,-0.2 91,-0.1 1,-0.1 -6,-0.0 -0.806 46.7 -64.9-124.6 165.8 54.0 62.9 132.8 93 134 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.168 55.2-166.9 -50.6 141.8 52.9 60.3 135.3 94 135 A T > - 0 0 70 -3,-0.1 3,-2.5 1,-0.0 -3,-0.0 -0.666 43.2 -88.3-122.4 179.4 55.7 59.1 137.5 95 136 A S T 3 S+ 0 0 88 1,-0.3 141,-0.1 -2,-0.2 133,-0.1 0.779 128.5 63.9 -60.4 -24.7 56.0 56.1 139.8 96 137 A A T 3 S+ 0 0 87 139,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.504 87.9 99.0 -76.8 -4.7 54.5 58.5 142.4 97 138 A T < - 0 0 15 -3,-2.5 139,-2.1 137,-0.3 2,-0.4 -0.571 50.5-170.6 -91.0 149.7 51.3 58.7 140.3 98 139 A T E -l 236 0D 56 -2,-0.2 2,-0.3 137,-0.2 139,-0.2 -0.977 12.4-145.2-140.0 123.4 48.0 56.9 140.9 99 140 A F E -l 237 0D 0 137,-3.5 139,-2.7 -2,-0.4 -14,-0.2 -0.690 12.2-157.3 -91.2 141.1 45.1 56.7 138.6 100 141 A N E -I 84 0C 79 -16,-2.2 -16,-2.6 -2,-0.3 2,-0.2 -0.943 14.7-122.7-122.8 136.7 41.5 56.6 139.9 101 142 A P E -I 83 0C 25 0, 0.0 2,-0.6 0, 0.0 -18,-0.2 -0.488 7.3-152.4 -80.1 145.8 38.4 55.4 138.1 102 143 A V E -I 82 0C 34 -20,-2.8 -21,-1.5 -2,-0.2 -20,-1.1 -0.979 29.7-131.8-114.5 117.4 35.2 57.2 137.3 103 144 A N E -I 80 0C 43 -2,-0.6 -23,-0.3 -23,-0.3 3,-0.1 -0.317 6.4-122.7 -73.4 150.6 32.4 54.7 137.1 104 145 A Y > - 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