==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 27-MAY-11 3S7X . COMPND 2 MOLECULE: MAJOR CAPSID PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: WU POLYOMAVIRUS; . AUTHOR U.NEU,J.WANG,T.STEHLE . 1301 10 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 443 34.1 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 . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 117 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 3.1 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+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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 26 17 17 0 10 0 10 5 0 0 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 5 5 0 5 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 S 0 0 95 0, 0.0 185,-0.1 0, 0.0 184,-0.1 0.000 360.0 360.0 360.0-100.8 65.0 -26.3 -12.1 2 32 A H + 0 0 62 183,-0.5 184,-0.1 1,-0.2 183,-0.0 0.708 360.0 26.6 -66.6 -21.8 64.4 -30.2 -12.1 3 33 A M S S+ 0 0 41 3,-0.0 -1,-0.2 4,-0.0 3,-0.1 0.793 93.6 103.2-107.0 -46.0 63.0 -30.0 -15.7 4 34 A G S S+ 0 0 62 1,-0.2 3,-0.1 3,-0.0 183,-0.0 -0.159 80.4 37.5 -48.6 125.6 64.6 -26.8 -17.2 5 35 A G S S+ 0 0 88 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.753 93.8 106.7 92.3 32.7 67.4 -27.9 -19.6 6 36 A V - 0 0 39 -3,-0.1 2,-0.6 2,-0.0 -1,-0.4 -0.987 59.3-143.3-138.1 147.5 65.7 -30.9 -21.0 7 37 A D E -A 263 0A 103 256,-0.7 256,-2.3 -2,-0.3 2,-0.5 -0.898 13.4-156.3-121.9 105.2 64.1 -31.3 -24.4 8 38 A V E +A 262 0A 45 -2,-0.6 254,-0.2 254,-0.2 2,-0.1 -0.669 16.7 174.7 -91.6 123.8 60.9 -33.3 -24.7 9 39 A L E - 0 0 71 252,-2.7 -1,-0.1 -2,-0.5 253,-0.0 -0.167 42.3 -32.5-107.6-157.6 59.9 -34.9 -28.0 10 40 A A E - 0 0 66 250,-0.1 251,-2.3 1,-0.1 2,-0.3 -0.245 57.4-117.8 -64.3 142.6 57.2 -37.3 -29.2 11 41 A A E -A 260 0A 32 249,-0.2 249,-0.2 -3,-0.1 -1,-0.1 -0.633 35.6-109.3 -73.5 135.8 55.7 -39.9 -26.9 12 42 A V - 0 0 19 247,-1.8 247,-0.3 -2,-0.3 -1,-0.1 -0.547 40.6-102.8 -66.1 125.2 56.3 -43.4 -28.3 13 43 A P - 0 0 105 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.331 48.2-106.9 -52.3 124.7 52.9 -44.8 -29.6 14 44 A L + 0 0 96 4,-0.1 2,-0.3 3,-0.1 244,-0.0 -0.420 53.3 155.5 -71.3 116.0 51.9 -47.2 -26.8 15 45 A S >> - 0 0 62 -2,-0.4 3,-2.2 -3,-0.1 4,-1.2 -0.841 60.9 -89.0-126.4 169.4 52.2 -50.9 -27.6 16 46 A E T 34 S+ 0 0 179 1,-0.3 -2,-0.1 -2,-0.3 0, 0.0 0.710 128.7 50.0 -49.2 -25.2 52.6 -54.0 -25.4 17 47 A E T 34 S+ 0 0 163 1,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.642 112.1 45.4 -89.6 -17.4 56.3 -53.6 -25.7 18 48 A T T <4 S+ 0 0 14 -3,-2.2 2,-0.3 -5,-0.1 241,-0.3 0.521 99.5 76.3-107.3 -9.2 56.4 -49.8 -24.7 19 49 A E < - 0 0 70 -4,-1.2 2,-0.4 239,-0.2 239,-0.2 -0.799 53.4-168.8-111.5 150.3 54.0 -49.7 -21.7 20 50 A F E -B 257 0A 53 237,-1.6 237,-3.0 -2,-0.3 2,-0.4 -0.999 0.8-169.8-140.0 136.8 54.5 -50.8 -18.0 21 51 A K E +B 256 0A 104 -2,-0.4 2,-0.3 235,-0.2 235,-0.2 -0.977 5.0 177.3-127.4 138.4 52.1 -51.2 -15.0 22 52 A V E -B 255 0A 40 233,-1.4 233,-2.7 -2,-0.4 2,-0.4 -1.000 13.2-159.6-135.9 141.2 52.6 -51.8 -11.3 23 53 A E E +B 254 0A 93 -2,-0.3 2,-0.3 231,-0.2 231,-0.2 -0.925 27.3 157.9-108.1 140.3 50.3 -52.1 -8.3 24 54 A L E -B 253 0A 36 229,-2.0 229,-2.1 -2,-0.4 2,-0.3 -0.988 33.7-130.4-156.3 156.8 51.7 -51.5 -4.8 25 55 A F E -B 252 0A 29 -2,-0.3 2,-0.4 227,-0.2 227,-0.2 -0.866 16.5-150.7-106.5 147.1 50.8 -50.6 -1.2 26 56 A V E -B 251 0A 9 225,-2.4 225,-2.3 -2,-0.3 396,-0.1 -0.975 13.5-138.6-118.0 131.6 52.6 -47.8 0.8 27 57 A K - 0 0 65 -2,-0.4 223,-0.2 223,-0.2 40,-0.2 -0.642 19.0-115.0 -89.7 143.9 52.7 -48.1 4.6 28 58 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.389 29.3-135.0 -70.8 156.1 52.2 -45.1 7.0 29 59 A V E -F 64 0B 0 35,-0.7 35,-3.0 11,-0.2 2,-0.4 -0.967 20.4-177.4-124.2 120.1 55.2 -44.0 9.1 30 60 A I E -FG 63 39B 0 9,-2.6 9,-2.0 -2,-0.5 33,-0.2 -0.897 38.3-104.1-104.0 143.2 55.2 -43.2 12.8 31 61 A G - 0 0 0 31,-1.6 2,-0.6 28,-0.9 31,-0.1 -0.121 30.2-114.2 -65.5 163.9 58.5 -42.0 14.2 32 62 A N - 0 0 8 3,-0.2 27,-0.2 1,-0.1 -1,-0.1 -0.892 15.8-163.8-112.2 115.4 60.8 -44.1 16.4 33 63 A A S S+ 0 0 25 -2,-0.6 -1,-0.1 1,-0.2 26,-0.1 0.736 92.5 14.2 -68.4 -23.1 61.4 -43.2 20.1 34 64 A E S S+ 0 0 149 110,-0.0 -1,-0.2 111,-0.0 2,-0.1 0.521 122.0 47.1-128.5 -14.7 64.4 -45.4 20.5 35 65 A G - 0 0 23 2,-0.2 -3,-0.2 1,-0.0 -4,-0.0 -0.286 65.7-127.1-116.5-164.1 65.6 -46.5 17.0 36 66 A T S S+ 0 0 101 -2,-0.1 -1,-0.0 2,-0.1 -4,-0.0 0.328 81.7 92.0-129.0 -5.4 66.4 -45.2 13.5 37 67 A T S S- 0 0 97 1,-0.1 -2,-0.2 -6,-0.0 2,-0.1 -0.712 84.1-109.6 -84.1 145.3 64.2 -47.7 11.6 38 68 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 -0.431 20.1-124.6 -75.3 147.7 60.7 -46.4 10.9 39 69 A H B -G 30 0B 32 -9,-2.0 -9,-2.6 -2,-0.1 2,-1.7 -0.849 13.2-149.0 -87.8 118.7 57.6 -47.8 12.6 40 70 A Y + 0 0 94 -2,-0.6 2,-0.4 -11,-0.2 -11,-0.2 -0.639 46.5 145.8 -85.6 79.2 55.1 -48.9 10.0 41 71 A W - 0 0 70 -2,-1.7 380,-0.1 -13,-0.2 3,-0.1 -0.942 50.7-163.0-120.6 140.4 52.1 -48.1 12.2 42 72 A S S S+ 0 0 0 -2,-0.4 205,-2.4 378,-0.2 2,-0.4 0.594 90.3 48.9 -82.0 -17.9 48.5 -46.9 11.5 43 73 A I B S-I 246 0C 4 203,-0.2 203,-0.2 206,-0.1 -1,-0.1 -0.987 76.8-148.3-130.1 134.2 48.3 -46.0 15.2 44 74 A S - 0 0 0 201,-2.1 17,-0.2 -2,-0.4 3,-0.1 -0.335 29.0 -88.6 -93.3 174.7 50.8 -44.1 17.4 45 75 A S - 0 0 26 15,-2.1 200,-0.5 1,-0.2 -1,-0.1 -0.427 68.6 -67.2 -74.2 158.5 51.8 -44.2 21.0 46 76 A P - 0 0 83 0, 0.0 198,-0.2 0, 0.0 -1,-0.2 -0.191 59.0-106.5 -52.9 137.0 49.8 -42.0 23.5 47 77 A L - 0 0 10 196,-2.2 1110,-0.1 -3,-0.1 15,-0.0 -0.400 33.3-123.0 -62.7 135.8 50.3 -38.3 23.0 48 78 A K - 0 0 98 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.167 35.4 -89.7 -69.5 170.9 52.4 -36.5 25.6 49 79 A T >> - 0 0 109 1107,-0.1 4,-2.4 4,-0.1 3,-1.3 -0.464 46.4 -89.6 -85.9 163.1 51.1 -33.5 27.6 50 80 A A H 3> S+ 0 0 4 1103,-0.4 4,-3.2 1,-0.3 5,-0.3 0.805 120.5 57.3 -35.2 -63.6 51.3 -29.9 26.6 51 81 A E H 34 S+ 0 0 177 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.811 121.8 27.6 -42.6 -46.2 54.7 -29.1 28.2 52 82 A A H X> S+ 0 0 38 -3,-1.3 4,-3.0 2,-0.1 3,-1.6 0.953 122.5 49.0 -79.6 -57.8 56.4 -31.9 26.3 53 83 A A H 3< S+ 0 0 0 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.827 102.7 62.4 -55.9 -39.5 54.3 -32.2 23.1 54 84 A N T 3< S+ 0 0 10 -4,-3.2 -1,-0.3 -5,-0.3 84,-0.2 0.717 127.4 7.8 -62.2 -23.9 54.3 -28.4 22.4 55 85 A V T <4 S+ 0 0 39 -3,-1.6 85,-2.2 -5,-0.3 86,-2.1 0.688 140.8 18.0-124.2 -45.8 58.1 -28.4 21.9 56 86 A T < - 0 0 46 -4,-3.0 -2,-0.2 -5,-0.2 87,-0.1 -0.593 68.4-177.2-134.7 71.5 59.6 -31.9 21.9 57 87 A P - 0 0 0 0, 0.0 86,-0.1 0, 0.0 -4,-0.1 -0.445 41.9 -94.3 -69.7 144.1 57.0 -34.6 21.3 58 88 A D > - 0 0 60 1,-0.1 3,-2.8 84,-0.1 -27,-0.1 -0.316 35.4-117.4 -54.5 134.5 58.2 -38.2 21.4 59 89 A A G > S+ 0 0 1 1,-0.3 3,-1.0 -27,-0.2 -28,-0.9 0.765 114.3 60.4 -48.0 -30.7 59.2 -39.4 17.9 60 90 A D G 3 S+ 0 0 17 1,-0.2 -15,-2.1 -30,-0.2 -1,-0.3 0.225 94.2 64.4 -88.3 16.2 56.4 -42.1 18.2 61 91 A T G < S+ 0 0 1 -3,-2.8 2,-0.3 -17,-0.2 -1,-0.2 0.052 96.2 70.2-115.6 21.2 53.7 -39.4 18.6 62 92 A T S < S- 0 0 0 -3,-1.0 -31,-1.6 -31,-0.1 2,-0.4 -0.945 74.1-125.5-134.7 159.1 54.2 -37.9 15.2 63 93 A V E -F 30 0B 5 -2,-0.3 113,-2.3 -33,-0.2 114,-0.4 -0.832 21.5-158.8-104.5 139.9 53.6 -38.9 11.5 64 94 A C E -FH 29 175B 1 -35,-3.0 -35,-0.7 -2,-0.4 2,-0.2 -0.869 31.5 -93.3-116.3 152.1 56.3 -38.9 8.8 65 95 A Y - 0 0 7 109,-2.4 109,-0.4 -2,-0.3 170,-0.2 -0.472 41.3-131.7 -60.8 123.2 56.0 -38.8 5.0 66 96 A S E -J 234 0C 5 168,-2.6 168,-1.5 -2,-0.2 2,-0.4 -0.507 23.4-157.2 -71.6 148.0 55.9 -42.3 3.7 67 97 A L E +J 233 0C 24 166,-0.2 2,-0.3 -2,-0.2 166,-0.2 -0.989 15.8 173.2-138.2 127.5 58.3 -42.8 0.8 68 98 A S E -J 232 0C 27 164,-2.4 164,-2.9 -2,-0.4 2,-0.4 -0.981 13.9-153.6-135.5 147.2 58.3 -45.4 -1.9 69 99 A Q E -J 231 0C 99 -2,-0.3 2,-0.4 162,-0.2 162,-0.2 -0.973 5.2-167.8-128.8 131.0 60.4 -45.9 -5.0 70 100 A V E -J 230 0C 17 160,-2.4 160,-2.8 -2,-0.4 -2,-0.0 -0.975 2.9-173.5-122.5 130.3 59.5 -47.6 -8.4 71 101 A A - 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