==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 10-JAN-08 3BWR . COMPND 2 MOLECULE: CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 40; . AUTHOR U.NEU,T.STEHLE . 1317 8 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 445 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 116 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 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 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 34 9 8 2 10 5 5 10 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 10 0 1 4 0 5 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 31 A G 0 0 93 0, 0.0 2,-0.5 0, 0.0 186,-0.0 0.000 360.0 360.0 360.0-124.9 35.1 1.1 -3.4 2 32 A I - 0 0 57 263,-0.0 2,-0.5 221,-0.0 265,-0.1 -0.907 360.0-134.8-108.8 128.7 33.6 -1.6 -5.6 3 33 A E - 0 0 119 -2,-0.5 263,-3.2 263,-0.2 2,-0.3 -0.703 28.0-168.3 -80.7 123.1 31.1 -0.9 -8.4 4 34 A V B -A 265 0A 43 -2,-0.5 261,-0.2 261,-0.2 2,-0.2 -0.733 10.2-146.9-106.2 157.4 28.2 -3.4 -8.2 5 35 A L - 0 0 66 259,-2.3 259,-0.2 -2,-0.3 261,-0.0 -0.682 42.8 -60.4-112.2 178.2 25.4 -4.1 -10.7 6 36 A G - 0 0 56 -2,-0.2 258,-0.5 1,-0.1 2,-0.3 0.075 56.9 -92.9 -59.5 164.1 21.8 -5.1 -10.0 7 37 A V + 0 0 80 256,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.597 43.6 167.2 -82.3 134.1 20.6 -8.2 -8.2 8 38 A K - 0 0 182 254,-0.4 2,-0.4 -2,-0.3 254,-0.0 -0.748 9.2-179.2-149.7 96.1 19.8 -11.3 -10.3 9 39 A T + 0 0 47 -2,-0.2 2,-0.1 252,-0.0 3,-0.0 -0.804 9.0 156.3-106.1 137.1 19.3 -14.6 -8.4 10 40 A G > - 0 0 46 -2,-0.4 3,-0.9 1,-0.1 2,-0.4 -0.365 54.7 -34.9-127.7-149.6 18.5 -18.0 -9.8 11 41 A V T 3 S+ 0 0 132 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.651 127.7 10.7 -80.2 130.8 18.9 -21.6 -8.8 12 42 A D T 3 S+ 0 0 133 -2,-0.4 -1,-0.2 1,-0.1 249,-0.0 0.794 87.9 122.0 73.3 28.9 22.1 -22.3 -6.7 13 43 A S < + 0 0 18 -3,-0.9 249,-2.0 248,-0.0 2,-0.3 0.447 61.5 73.6 -93.7 -4.2 22.8 -18.6 -6.3 14 44 A F E +B 261 0A 112 247,-0.2 2,-0.3 -4,-0.1 247,-0.2 -0.749 52.9 175.1-112.4 155.4 22.7 -19.0 -2.5 15 45 A T E -B 260 0A 35 245,-1.7 245,-2.8 -2,-0.3 2,-0.4 -0.974 14.5-149.3-150.6 164.0 25.0 -20.5 0.1 16 46 A E E -B 259 0A 112 -2,-0.3 2,-0.4 243,-0.2 243,-0.2 -0.998 10.3-170.7-139.4 128.5 25.1 -20.7 3.9 17 47 A V E -B 258 0A 20 241,-2.3 241,-2.5 -2,-0.4 2,-0.3 -0.962 5.9-155.8-125.3 144.8 28.1 -20.8 6.2 18 48 A E E -B 257 0A 102 -2,-0.4 2,-0.3 239,-0.2 239,-0.2 -0.767 11.1-179.7-112.6 157.8 28.3 -21.5 10.0 19 49 A C E -B 256 0A 18 237,-1.9 237,-3.0 -2,-0.3 2,-0.5 -0.929 20.4-161.0-161.6 133.7 30.9 -20.6 12.6 20 50 A F E -B 255 0A 51 -2,-0.3 2,-0.6 235,-0.2 235,-0.2 -0.981 19.9-164.2-107.4 120.5 31.6 -21.0 16.3 21 51 A L E -B 254 0A 15 233,-3.0 233,-2.0 -2,-0.5 38,-0.1 -0.916 10.6-141.0-109.8 113.5 34.1 -18.4 17.6 22 52 A N - 0 0 41 -2,-0.6 2,-0.1 231,-0.2 211,-0.1 -0.323 26.2-108.7 -61.3 148.5 35.8 -19.0 21.0 23 53 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 11,-0.3 -0.478 17.7-147.7 -75.5 150.8 36.4 -15.9 23.2 24 54 A Q B +F 57 0B 26 33,-0.6 33,-3.5 -2,-0.1 12,-0.0 -0.625 39.9 146.4-121.7 71.5 39.9 -14.7 23.7 25 55 A M S S- 0 0 2 -2,-0.4 12,-0.3 31,-0.3 224,-0.2 0.733 76.0 -86.9 -79.4 -26.4 39.9 -13.4 27.3 26 56 A G - 0 0 7 10,-0.2 10,-0.3 -3,-0.2 28,-0.1 -0.151 40.7-138.7 148.3 -45.1 43.5 -14.3 28.0 27 57 A N - 0 0 37 8,-2.9 9,-0.2 5,-0.3 6,-0.2 0.975 11.8-162.1 55.1 72.5 43.5 -17.9 29.3 28 58 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 9,-0.1 0.875 72.7 -9.0 -50.1 -49.2 46.0 -17.8 32.2 29 59 A D S > S- 0 0 61 24,-0.1 3,-2.0 3,-0.0 -3,-0.0 -0.884 84.4 -88.1-140.2 179.8 46.3 -21.7 32.1 30 60 A E G > S+ 0 0 112 1,-0.3 3,-0.6 -2,-0.3 -3,-0.0 0.779 123.6 57.6 -60.0 -26.0 44.6 -24.6 30.4 31 61 A H G 3 S+ 0 0 54 1,-0.2 -1,-0.3 380,-0.0 363,-0.2 0.541 101.9 56.9 -83.3 -6.8 42.0 -24.8 33.2 32 62 A Q G X + 0 0 51 -3,-2.0 3,-1.4 3,-0.1 -5,-0.3 -0.282 66.4 155.8-124.3 46.1 40.9 -21.2 32.8 33 63 A K T < S+ 0 0 52 -3,-0.6 3,-0.1 377,-0.3 -9,-0.1 -0.532 70.6 28.5 -73.0 139.5 39.7 -21.0 29.2 34 64 A G T 3 S+ 0 0 0 1,-0.4 217,-2.4 -11,-0.3 2,-0.3 0.350 110.1 91.8 87.9 -5.5 37.2 -18.2 28.6 35 65 A L B < -H 250 0C 19 -3,-1.4 -8,-2.9 215,-0.2 -1,-0.4 -0.853 67.7-137.1-116.1 155.2 38.7 -16.3 31.5 36 66 A S - 0 0 0 213,-1.5 18,-0.3 -2,-0.3 -10,-0.2 -0.480 40.6 -81.0 -92.7 174.6 41.5 -13.7 31.7 37 67 A K - 0 0 73 16,-2.9 212,-0.4 -12,-0.3 -1,-0.1 -0.478 68.6 -76.4 -66.7 147.7 44.3 -13.6 34.2 38 68 A S - 0 0 48 210,-0.1 2,-0.3 -2,-0.1 210,-0.2 -0.155 61.6-109.0 -46.2 145.4 43.3 -12.0 37.5 39 69 A L - 0 0 18 208,-2.8 208,-0.3 1126,-0.1 2,-0.2 -0.610 24.2-142.2 -91.6 140.2 43.1 -8.2 37.0 40 70 A A - 0 0 25 -2,-0.3 1128,-0.7 206,-0.1 2,-0.3 -0.490 17.0-168.9 -89.7 164.3 45.5 -5.6 38.4 41 71 A A + 0 0 25 1126,-0.2 1115,-0.2 -2,-0.2 1116,-0.1 -0.980 57.4 29.2-147.9 157.5 44.5 -2.2 39.8 42 72 A E S S+ 0 0 73 -2,-0.3 2,-0.2 1113,-0.3 1115,-0.2 0.729 71.3 164.9 68.3 23.9 46.2 1.0 40.9 43 73 A K B -o 1157 0D 91 1113,-2.3 1115,-3.1 1,-0.1 -1,-0.2 -0.492 45.4-100.9 -70.8 141.6 49.2 0.6 38.5 44 74 A Q > - 0 0 134 3,-0.4 3,-1.3 -2,-0.2 -1,-0.1 -0.392 24.1-128.4 -64.0 138.7 51.3 3.8 37.9 45 75 A F T 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.831 109.3 45.5 -56.8 -33.9 50.5 5.5 34.7 46 76 A T T 3 S+ 0 0 72 1,-0.2 -1,-0.3 94,-0.1 -2,-0.1 0.483 119.7 38.9 -93.6 -6.5 54.2 5.5 33.8 47 77 A D S < S+ 0 0 84 -3,-1.3 2,-0.6 93,-0.0 -3,-0.4 -0.426 73.7 134.8-141.0 65.1 54.9 1.9 34.8 48 78 A D + 0 0 2 -3,-0.4 93,-2.6 91,-0.3 1109,-0.1 -0.908 19.0 169.3-117.6 102.9 51.9 -0.2 33.7 49 79 A S - 0 0 58 -2,-0.6 93,-0.1 91,-0.2 2,-0.1 -0.808 16.4-163.7-115.4 88.7 52.9 -3.5 32.0 50 80 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 -0.385 21.0-116.5 -69.6 148.4 49.8 -5.7 31.7 51 81 A D >> - 0 0 59 1,-0.1 3,-1.3 91,-0.1 4,-0.6 -0.569 20.6-120.2 -78.6 149.9 50.3 -9.4 30.9 52 82 A K G >4 S+ 0 0 23 1,-0.3 3,-1.0 -2,-0.2 -1,-0.1 0.849 115.4 56.8 -56.0 -35.6 48.9 -10.7 27.6 53 83 A E G 34 S+ 0 0 64 1,-0.3 -16,-2.9 -17,-0.1 -1,-0.3 0.659 101.3 56.7 -74.8 -16.3 46.7 -13.0 29.6 54 84 A Q G <4 S+ 0 0 29 -3,-1.3 -1,-0.3 -18,-0.3 -2,-0.2 0.644 96.7 76.7 -84.5 -15.8 45.2 -10.1 31.5 55 85 A L S << S- 0 0 2 -3,-1.0 -1,-0.1 -4,-0.6 1099,-0.0 -0.838 74.3-144.6-106.2 102.8 44.1 -8.5 28.2 56 86 A P - 0 0 9 0, 0.0 119,-2.3 0, 0.0 120,-0.5 -0.337 24.3-155.6 -55.1 144.1 41.0 -9.8 26.4 57 87 A C B -FG 24 174B 0 -33,-3.5 -33,-0.6 117,-0.3 -31,-0.1 -0.859 21.6 -88.8-125.3 158.4 41.5 -9.6 22.6 58 88 A Y - 0 0 0 115,-2.9 113,-1.5 -2,-0.3 114,-0.4 -0.373 38.9-133.1 -60.4 141.6 39.2 -9.5 19.6 59 89 A S E +I 233 0C 5 174,-3.0 174,-2.2 111,-0.2 2,-0.3 -0.822 30.6 173.4 -94.5 139.8 38.1 -12.8 18.1 60 90 A V E -I 232 0C 13 -2,-0.4 2,-0.4 172,-0.2 172,-0.2 -0.990 13.6-179.0-149.8 138.0 38.4 -13.2 14.4 61 91 A A E -I 231 0C 26 170,-2.3 170,-2.3 -2,-0.3 2,-0.6 -0.994 20.3-143.0-136.4 130.5 37.9 -16.1 11.9 62 92 A R E -I 230 0C 128 -2,-0.4 168,-0.2 168,-0.2 -2,-0.0 -0.848 20.1-156.0 -89.2 118.7 38.4 -16.1 8.2 63 93 A I E -I 229 0C 19 166,-3.6 166,-2.9 -2,-0.6 2,-0.1 -0.882 9.0-138.1-100.7 115.9 35.7 -18.3 6.6 64 94 A P E -I 228 0C 90 0, 0.0 164,-0.2 0, 0.0 163,-0.1 -0.442 19.4-151.8 -66.9 142.5 36.5 -19.7 3.2 65 95 A L - 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0 0 1 -3,-0.2 2,-0.5 140,-0.2 -1,-0.2 -0.232 52.1-119.4 -84.7 172.7 32.8 -18.4 43.9 103 133 A Q - 0 0 54 138,-0.5 9,-1.8 9,-0.2 138,-0.1 -0.976 32.9-118.5-113.2 121.1 32.7 -15.8 46.7 104 134 A K B -Q 111 0F 70 -2,-0.5 7,-0.2 7,-0.2 6,-0.1 -0.206 8.8-140.2 -56.8 146.3 29.5 -15.8 48.8 105 135 A T S S- 0 0 48 5,-2.1 2,-0.3 1,-0.3 -1,-0.1 0.770 82.3 -15.1 -76.3 -28.4 27.5 -12.6 48.7 106 136 A H S > S- 0 0 54 4,-0.3 3,-2.5 395,-0.1 -1,-0.3 -0.961 98.2 -55.1-165.1 167.6 26.9 -13.0 52.4 107 137 A E T 3 S+ 0 0 137 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.353 127.9 3.6 -57.3 123.4 27.0 -15.6 55.2 108 138 A N T 3 S+ 0 0 79 1,-0.3 395,-0.7 -2,-0.1 -1,-0.3 0.339 110.3 126.2 79.9 -4.6 25.0 -18.6 54.2 109 139 A G < - 0 0 4 -3,-2.5 -1,-0.3 393,-0.2 393,-0.1 -0.335 64.2 -97.1 -86.5 165.2 24.4 -16.9 50.8 110 140 A A - 0 0 1 1,-0.2 -5,-2.1 -6,-0.1 -4,-0.3 -0.198 52.1 -78.2 -72.5 167.4 25.0 -18.1 47.2 111 141 A G B -Q 104 0F 1 -13,-1.1 -7,-0.2 185,-0.6 -1,-0.2 -0.252 52.8 -95.5 -64.6 154.4 28.1 -17.3 45.2 112 142 A K - 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