==== 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 3BWQ . COMPND 2 MOLECULE: CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 40; . AUTHOR U.NEU,T.STEHLE . 1319 7 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 774 58.7 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 . 436 33.1 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 . 102 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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+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 . 29 10 10 0 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 5 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 0 103 0, 0.0 2,-0.4 0, 0.0 186,-0.0 0.000 360.0 360.0 360.0-178.8 35.2 1.0 -3.5 2 32 A I - 0 0 66 221,-0.0 2,-0.6 263,-0.0 265,-0.1 -0.784 360.0-129.4 -95.3 132.8 33.9 -1.8 -5.7 3 33 A E E -A 266 0A 110 263,-0.5 263,-3.8 -2,-0.4 2,-0.3 -0.715 31.2-170.6 -81.3 120.8 31.5 -1.0 -8.6 4 34 A V E -A 265 0A 39 -2,-0.6 2,-0.3 261,-0.3 261,-0.2 -0.742 9.6-149.0-107.5 156.3 28.5 -3.4 -8.4 5 35 A L - 0 0 64 259,-2.0 259,-0.2 -2,-0.3 261,-0.0 -0.775 40.8 -59.6-116.9 171.7 25.7 -4.0 -10.8 6 36 A G - 0 0 59 -2,-0.3 258,-0.5 1,-0.1 2,-0.3 0.248 59.4 -93.1 -43.9 166.4 22.0 -5.0 -10.2 7 37 A V + 0 0 68 256,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.676 40.1 170.3 -89.1 136.8 20.9 -8.2 -8.5 8 38 A K - 0 0 179 254,-0.3 2,-0.3 -2,-0.3 254,-0.0 -0.709 9.1-178.0-147.5 94.7 20.1 -11.4 -10.4 9 39 A T + 0 0 56 -2,-0.2 2,-0.2 252,-0.0 3,-0.1 -0.687 11.1 153.4 -94.9 143.2 19.5 -14.6 -8.4 10 40 A G > - 0 0 45 -2,-0.3 3,-0.7 1,-0.1 2,-0.2 -0.513 52.0 -43.8-136.3-151.1 18.8 -18.1 -9.8 11 41 A V T 3 S+ 0 0 131 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.588 123.5 21.5 -83.1 150.9 19.2 -21.6 -8.7 12 42 A D T 3 S+ 0 0 133 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.805 91.9 116.9 64.3 28.9 22.5 -22.7 -7.2 13 43 A S < + 0 0 12 -3,-0.7 249,-1.7 248,-0.0 2,-0.2 0.392 60.3 61.3-108.5 0.2 23.1 -19.0 -6.3 14 44 A F E +B 261 0A 107 247,-0.2 2,-0.3 66,-0.1 247,-0.2 -0.666 50.5 171.7-124.3 174.8 23.1 -19.3 -2.5 15 45 A T E -B 260 0A 40 245,-1.1 245,-2.5 -2,-0.2 2,-0.4 -0.917 18.3-138.7-177.0 155.0 25.0 -20.9 0.4 16 46 A E E -B 259 0A 117 -2,-0.3 2,-0.3 243,-0.2 243,-0.2 -0.969 13.2-174.5-125.4 143.2 25.3 -20.9 4.2 17 47 A V E -B 258 0A 22 241,-2.0 241,-2.5 -2,-0.4 2,-0.3 -0.981 6.0-165.1-132.0 147.0 28.3 -21.0 6.5 18 48 A E E -B 257 0A 105 -2,-0.3 2,-0.3 239,-0.2 239,-0.2 -0.882 5.6-177.5-131.2 164.4 28.5 -21.4 10.3 19 49 A C E -B 256 0A 21 237,-1.8 237,-2.6 -2,-0.3 2,-0.5 -0.953 21.5-149.4-165.3 131.4 31.2 -20.9 12.9 20 50 A F E -B 255 0A 51 -2,-0.3 2,-0.6 235,-0.2 235,-0.2 -0.958 22.2-161.7-103.0 121.1 31.8 -21.2 16.7 21 51 A L E -B 254 0A 16 233,-3.4 233,-2.2 -2,-0.5 38,-0.1 -0.912 9.6-140.5-106.9 117.5 34.3 -18.6 17.9 22 52 A N - 0 0 47 -2,-0.6 2,-0.1 231,-0.2 230,-0.1 -0.375 25.2-110.5 -66.4 149.6 36.1 -19.2 21.3 23 53 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.436 16.7-147.6 -76.9 157.2 36.6 -16.2 23.5 24 54 A Q + 0 0 31 33,-0.5 33,-2.9 1,-0.1 12,-0.0 -0.621 39.4 145.7-126.8 72.9 40.1 -14.8 24.2 25 55 A M S S- 0 0 5 -2,-0.3 12,-0.2 31,-0.3 224,-0.2 0.727 77.2 -85.3 -82.5 -24.2 40.1 -13.5 27.7 26 56 A G - 0 0 13 10,-0.2 10,-0.2 -3,-0.1 28,-0.1 -0.148 41.4-137.6 148.5 -44.1 43.7 -14.4 28.5 27 57 A N - 0 0 40 8,-2.7 6,-0.2 5,-0.3 9,-0.2 0.983 12.2-160.1 55.9 76.1 43.7 -18.1 29.7 28 58 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.800 69.7 -16.5 -60.2 -35.4 46.1 -17.9 32.6 29 59 A D S > S- 0 0 70 24,-0.1 3,-1.1 3,-0.1 -3,-0.0 -0.878 83.6 -79.6-150.3-170.1 46.6 -21.7 32.4 30 60 A E G > S+ 0 0 127 -2,-0.3 3,-0.6 1,-0.2 -1,-0.0 0.867 124.5 52.6 -63.5 -36.4 45.0 -24.9 30.9 31 61 A H G 3 S+ 0 0 59 1,-0.2 -1,-0.2 380,-0.0 363,-0.2 0.447 104.1 58.9 -82.7 1.3 42.4 -25.1 33.7 32 62 A Q G X + 0 0 46 -3,-1.1 3,-1.4 3,-0.1 -5,-0.3 -0.218 63.6 154.6-130.7 43.4 41.2 -21.5 33.2 33 63 A K T < S+ 0 0 59 -3,-0.6 3,-0.1 377,-0.3 -9,-0.1 -0.544 71.0 29.9 -69.9 134.1 40.0 -21.2 29.6 34 64 A G T 3 S+ 0 0 0 1,-0.4 217,-2.2 -2,-0.3 2,-0.3 0.358 109.8 86.2 93.8 -5.0 37.4 -18.5 29.2 35 65 A L B < -F 250 0B 17 -3,-1.4 -8,-2.7 215,-0.2 -1,-0.4 -0.808 69.1-132.4-118.5 164.2 38.9 -16.5 32.1 36 66 A S - 0 0 0 213,-1.2 18,-0.2 -2,-0.3 -10,-0.2 -0.552 37.7 -83.9-100.3 175.3 41.7 -14.0 32.4 37 67 A K - 0 0 81 16,-2.8 212,-0.3 -12,-0.2 -1,-0.1 -0.504 67.6 -73.8 -70.8 148.9 44.6 -13.8 34.8 38 68 A S - 0 0 48 -2,-0.2 2,-0.2 210,-0.1 210,-0.2 -0.172 60.8-118.5 -42.4 134.4 43.8 -12.1 38.1 39 69 A L - 0 0 22 208,-2.3 208,-0.3 1127,-0.1 2,-0.2 -0.570 19.6-139.1 -89.0 144.0 43.5 -8.4 37.5 40 70 A A - 0 0 26 -2,-0.2 1129,-0.6 206,-0.1 2,-0.3 -0.596 19.0-170.7 -95.8 161.1 45.8 -5.7 39.0 41 71 A A + 0 0 23 -2,-0.2 1116,-0.2 1127,-0.2 1120,-0.1 -0.943 57.2 33.3-144.9 163.9 44.7 -2.3 40.3 42 72 A E S S+ 0 0 70 1114,-0.3 2,-0.1 -2,-0.3 1116,-0.1 0.741 73.5 164.0 62.1 24.4 46.1 1.0 41.6 43 73 A K B -m 1158 0C 97 1114,-1.7 1116,-3.3 1,-0.1 -1,-0.2 -0.464 43.6-102.4 -71.9 146.7 49.1 0.7 39.3 44 74 A Q > - 0 0 138 3,-0.5 3,-1.0 1114,-0.2 -1,-0.1 -0.450 21.4-127.4 -74.2 141.6 51.2 3.8 38.7 45 75 A F T 3 S+ 0 0 58 1,-0.2 3,-0.4 -2,-0.1 -1,-0.1 0.837 108.6 44.1 -54.9 -36.9 50.6 5.6 35.4 46 76 A T T 3 S+ 0 0 68 1,-0.2 -1,-0.2 94,-0.1 2,-0.1 0.521 118.3 41.6 -91.5 -10.7 54.4 5.6 34.6 47 77 A D S < S+ 0 0 100 -3,-1.0 2,-0.5 93,-0.0 -3,-0.5 -0.516 73.2 135.3-136.9 70.2 55.1 2.0 35.5 48 78 A D + 0 0 3 -3,-0.4 93,-2.9 91,-0.4 1110,-0.1 -0.900 16.0 164.6-124.1 100.2 52.2 -0.1 34.3 49 79 A S - 0 0 71 -2,-0.5 93,-0.1 91,-0.2 2,-0.1 -0.808 18.5-165.3-117.4 87.7 53.2 -3.4 32.6 50 80 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 -0.385 21.7-114.9 -72.9 149.5 50.2 -5.7 32.3 51 81 A D > - 0 0 59 1,-0.1 3,-1.7 91,-0.1 4,-0.4 -0.535 21.0-121.1 -77.1 150.3 50.6 -9.4 31.4 52 82 A K G > S+ 0 0 43 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.858 114.6 59.0 -59.4 -34.1 49.2 -10.6 28.2 53 83 A E G 3 S+ 0 0 77 1,-0.3 -16,-2.8 -17,-0.1 -1,-0.3 0.588 100.0 57.8 -73.7 -9.5 47.0 -13.1 30.1 54 84 A Q G < S+ 0 0 30 -3,-1.7 -1,-0.3 -18,-0.2 -2,-0.2 0.537 96.4 75.7 -91.9 -9.8 45.5 -10.1 31.9 55 85 A L S < S- 0 0 2 -3,-1.4 -1,-0.1 -4,-0.4 2,-0.1 -0.894 72.9-144.3-114.4 107.5 44.3 -8.5 28.6 56 86 A P - 0 0 10 0, 0.0 119,-2.6 0, 0.0 120,-0.5 -0.397 24.3-156.8 -60.0 141.3 41.3 -9.9 26.7 57 87 A C B -N 174 0D 4 -33,-2.9 -33,-0.5 117,-0.3 -31,-0.1 -0.830 21.9 -88.6-122.1 160.5 41.8 -9.6 22.9 58 88 A Y - 0 0 0 115,-2.7 113,-1.8 -2,-0.3 2,-0.4 -0.352 38.9-132.7 -60.2 143.0 39.5 -9.5 19.9 59 89 A S E +G 233 0B 5 174,-2.5 174,-1.9 111,-0.2 2,-0.3 -0.829 30.4 173.4 -98.5 141.3 38.5 -12.8 18.4 60 90 A V E -G 232 0B 16 -2,-0.4 2,-0.3 172,-0.2 172,-0.2 -0.997 13.7-179.8-150.0 143.7 38.8 -13.3 14.6 61 91 A A E -G 231 0B 26 170,-1.9 170,-2.0 -2,-0.3 2,-0.5 -0.977 21.1-141.8-144.3 130.4 38.4 -16.1 12.0 62 92 A R E -G 230 0B 133 -2,-0.3 168,-0.2 168,-0.2 -2,-0.0 -0.813 23.7-155.1 -85.5 125.4 38.8 -16.2 8.2 63 93 A I E -G 229 0B 19 166,-3.3 166,-2.6 -2,-0.5 2,-0.1 -0.915 8.5-134.1-111.1 119.5 36.1 -18.4 6.7 64 94 A P E -G 228 0B 91 0, 0.0 164,-0.2 0, 0.0 163,-0.1 -0.434 19.8-157.0 -69.6 138.4 36.7 -20.1 3.3 65 95 A L - 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0 0 53 138,-0.5 9,-2.5 9,-0.3 140,-0.1 -0.959 32.6-122.0-107.8 126.4 32.9 -15.9 47.2 104 134 A K B -Q 111 0G 63 -2,-0.5 7,-0.2 7,-0.3 6,-0.1 -0.271 7.2-141.4 -67.0 154.4 29.8 -16.0 49.3 105 135 A T S S- 0 0 49 5,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.804 77.0 -15.1 -85.1 -33.8 27.7 -12.8 49.5 106 136 A H S > S- 0 0 63 4,-0.3 3,-3.3 395,-0.1 -1,-0.3 -0.965 98.0 -49.5-160.1 168.5 26.9 -13.2 53.2 107 137 A E T 3 S- 0 0 135 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.260 129.7 -0.5 -48.4 118.9 26.9 -15.7 56.1 108 138 A N T 3 S+ 0 0 87 1,-0.2 395,-0.6 394,-0.1 -1,-0.3 0.573 109.1 134.2 72.2 11.9 25.2 -18.9 54.9 109 139 A G < - 0 0 4 -3,-3.3 -1,-0.2 393,-0.2 393,-0.1 -0.394 58.2-102.3 -90.4 166.0 24.7 -17.1 51.5 110 140 A A - 0 0 1 1,-0.2 -5,-1.8 -6,-0.1 -4,-0.3 -0.272 51.4 -74.6 -78.9 170.8 25.2 -18.4 48.0 111 141 A G B -Q 104 0G 2 -13,-0.9 -7,-0.3 185,-0.6 -1,-0.2 -0.303 51.7 -99.9 -66.4 150.7 28.2 -17.5 45.8 112 142 A K - 0 0 42 -9,-2.5 129,-0.4 129,-0.1 -9,-0.3 -0.603 40.7-126.5 -75.8 122.2 28.5 -14.1 44.1 113 143 A P - 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