==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 20-JAN-04 1S58 . COMPND 2 MOLECULE: B19 PARVOVIRUS CAPSID; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN PARVOVIRUS B19; . AUTHOR B.KAUFMANN,A.A.SIMPSON,M.G.ROSSMANN . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 67 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 0 1 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 . 1 1 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 6 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 1 0 1 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 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 19 A N 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 34.7 5.5 74.4 2 20 A P + 0 0 120 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.906 360.0 103.1 -63.6 -50.1 31.1 4.0 74.2 3 21 A V - 0 0 115 1,-0.1 2,-0.8 2,-0.0 0, 0.0 -0.157 54.5-166.2 -44.5 103.6 31.4 1.2 76.9 4 22 A K - 0 0 189 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.869 7.4-169.1 -99.0 104.5 29.5 2.7 79.8 5 23 A S + 0 0 81 -2,-0.8 2,-0.3 101,-0.0 101,-0.0 -0.730 19.7 150.9 -94.3 145.3 30.5 0.6 82.9 6 24 A M - 0 0 128 -2,-0.3 101,-0.1 2,-0.0 2,-0.0 -0.997 48.1 -69.6-170.4 171.2 28.5 1.0 86.1 7 25 A W - 0 0 117 -2,-0.3 2,-0.4 1,-0.1 450,-0.1 -0.368 47.4-155.9 -61.9 140.8 26.9 0.2 89.4 8 26 A S + 0 0 36 448,-0.2 2,-0.3 -2,-0.0 450,-0.1 -0.843 37.9 102.8-134.1 97.1 24.0 -2.1 88.7 9 27 A E + 0 0 68 -2,-0.4 2,-0.3 13,-0.1 13,-0.3 -0.969 28.5 86.3-167.3 155.9 21.1 -2.3 91.2 10 28 A G E -A 21 0A 25 11,-3.0 11,-1.7 -2,-0.3 2,-0.3 -0.920 51.6-124.0 142.4-162.5 17.6 -1.3 91.7 11 29 A A E -A 20 0A 24 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.887 10.3-150.4-175.8 144.8 14.3 -2.8 90.5 12 30 A T E -A 19 0A 98 7,-1.6 7,-1.8 -2,-0.3 2,-0.2 -0.984 11.4-140.8-135.0 128.9 11.3 -1.7 88.6 13 31 A F E -A 18 0A 50 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.483 16.7-178.0 -85.5 155.5 7.7 -2.9 88.8 14 32 A S E > -A 17 0A 57 3,-1.4 3,-4.1 -2,-0.2 2,-0.7 -0.898 45.7 -97.4-158.7 120.4 5.4 -3.5 86.0 15 33 A A T 3 S+ 0 0 88 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.457 121.1 26.8 -5.0 -35.0 1.8 -4.5 86.0 16 34 A N T 3 S- 0 0 111 -2,-0.7 -1,-0.3 1,-0.3 2,-0.3 0.427 129.1 -14.1-126.7 6.5 2.7 -8.1 85.5 17 35 A S E < -A 14 0A 38 -3,-4.1 -3,-1.4 446,-0.3 2,-0.3 -0.961 58.8-129.3 176.6 178.5 6.2 -8.7 86.8 18 36 A V E -AB 13 462A 0 444,-1.5 444,-1.9 -2,-0.3 2,-0.6 -0.995 10.4-128.4-151.9 158.0 9.3 -6.9 88.0 19 37 A T E -AB 12 461A 54 -7,-1.8 -7,-1.6 -2,-0.3 2,-0.4 -0.925 23.4-173.6-111.8 119.5 12.9 -6.8 87.5 20 38 A C E +AB 11 460A 0 440,-3.7 440,-1.8 -2,-0.6 2,-0.3 -0.830 12.0 162.0-108.7 150.1 15.1 -7.0 90.6 21 39 A T E +AB 10 459A 25 -11,-1.7 -11,-3.0 59,-0.4 438,-0.2 -0.822 7.5 174.0-172.9 128.6 18.8 -6.5 90.4 22 40 A F E - B 0 458A 2 436,-1.2 436,-0.8 -13,-0.3 2,-0.3 -0.763 13.3-149.4-131.1 177.9 21.6 -5.8 92.8 23 41 A S E + B 0 457A 0 -2,-0.2 2,-0.3 434,-0.2 135,-0.3 -0.986 13.2 170.7-149.0 153.7 25.4 -5.4 93.1 24 42 A R E - B 0 456A 0 432,-1.8 432,-1.1 -2,-0.3 137,-0.1 -0.888 34.4-120.7-162.1 129.2 28.1 -6.0 95.7 25 43 A Q E - B 0 455A 72 -2,-0.3 2,-0.3 430,-0.3 430,-0.3 -0.093 37.9-171.0 -60.1-179.3 31.8 -5.9 95.3 26 44 A F E - B 0 454A 0 428,-1.6 428,-0.7 134,-0.2 2,-0.5 -0.960 16.0-131.1-166.1 162.6 33.3 -9.2 96.4 27 45 A L E - B 0 453A 36 134,-1.8 426,-0.3 -2,-0.3 -2,-0.0 -0.851 6.5-143.3-137.9 109.2 36.7 -10.5 96.9 28 46 A I E - B 0 452A 3 424,-2.9 424,-1.3 -2,-0.5 401,-0.1 -0.458 29.9-134.2 -64.3 128.6 38.1 -13.7 95.6 29 47 A P - 0 0 46 0, 0.0 423,-0.2 0, 0.0 -1,-0.1 0.858 5.8-130.8 -48.9-125.3 40.5 -15.0 98.4 30 48 A Y - 0 0 63 421,-0.1 -2,-0.0 419,-0.1 420,-0.0 0.232 19.5-169.2-173.4 -30.6 43.9 -16.3 97.7 31 49 A D - 0 0 70 1,-0.1 399,-0.1 3,-0.0 0, 0.0 0.735 22.1-138.8 18.2 99.8 44.4 -19.7 99.4 32 50 A P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.792 85.3 18.1 -49.0 -35.2 48.2 -20.4 99.0 33 51 A E - 0 0 82 413,-0.0 2,-0.2 414,-0.0 -3,-0.1 -0.260 65.3-165.6-116.5-150.8 47.4 -24.0 98.2 34 52 A H + 0 0 66 -2,-0.1 33,-0.1 33,-0.0 -3,-0.0 -0.478 25.7 146.1 161.1 123.7 44.3 -25.9 97.0 35 53 A H > - 0 0 122 31,-0.5 3,-0.6 -2,-0.2 32,-0.1 0.211 68.2-109.8-158.2 10.9 43.9 -29.6 97.0 36 54 A Y B 3 -E 66 0B 16 30,-0.6 30,-3.3 1,-0.3 31,-0.2 0.458 44.8-131.6 66.3 -5.3 40.2 -30.1 97.7 37 55 A K T 3 - 0 0 100 28,-0.2 -1,-0.3 29,-0.1 30,-0.1 0.520 27.1-124.7 34.3 20.8 41.8 -31.3 101.0 38 56 A V < - 0 0 80 -3,-0.6 28,-0.3 1,-0.1 2,-0.2 0.131 30.8-138.4 40.3-165.2 39.6 -34.5 101.0 39 57 A F + 0 0 107 26,-0.1 25,-1.0 1,-0.1 -1,-0.1 -0.785 43.9 137.6 173.2 142.7 37.5 -35.1 104.1 40 58 A S - 0 0 47 23,-0.2 23,-0.1 -2,-0.2 -1,-0.1 -0.076 19.6-169.5 167.4 76.8 36.3 -37.7 106.7 41 59 A P - 0 0 69 0, 0.0 22,-0.1 0, 0.0 143,-0.0 0.683 41.0-126.3 -51.0 -20.8 36.3 -36.6 110.4 42 60 A A S S- 0 0 24 20,-0.4 142,-0.1 143,-0.1 141,-0.1 0.982 74.9 -28.7 68.3 58.9 35.6 -40.3 111.2 43 61 A A - 0 0 7 19,-0.1 4,-0.3 1,-0.1 5,-0.1 0.784 59.6-137.4 66.5 115.0 32.5 -39.5 113.4 44 62 A S S S+ 0 0 69 11,-0.1 -1,-0.1 2,-0.1 4,-0.1 0.422 85.5 78.3 -79.8 1.7 32.5 -36.1 115.1 45 63 A S S S- 0 0 10 2,-0.2 2,-0.9 3,-0.1 4,-0.1 0.096 120.8 -57.2 -89.3-158.3 31.2 -37.9 118.2 46 64 A C S S- 0 0 38 2,-0.2 2,-1.7 10,-0.2 3,-0.2 -0.087 89.4 -91.7 -76.9 37.9 33.1 -40.0 120.7 47 65 A H S S+ 0 0 85 -2,-0.9 136,-1.4 1,-0.3 -2,-0.2 -0.256 114.0 26.1 79.2 -46.3 34.0 -41.9 117.5 48 66 A N S S- 0 0 50 -2,-1.7 -1,-0.3 134,-0.2 -2,-0.2 0.320 113.6 -69.2-110.2-123.0 30.9 -44.1 118.2 49 67 A A S S+ 0 0 48 -3,-0.2 8,-0.1 -4,-0.1 133,-0.0 -0.598 71.2 126.3-147.3 81.2 27.7 -43.2 120.1 50 68 A S - 0 0 93 -2,-0.1 2,-0.2 6,-0.1 -3,-0.0 0.701 58.1 -99.7 -98.5-100.7 28.1 -42.8 123.9 51 69 A G + 0 0 59 -5,-0.0 3,-0.1 0, 0.0 6,-0.1 -0.507 64.6 108.7 166.2 122.8 26.9 -39.6 125.6 52 70 A K S S+ 0 0 139 1,-0.3 2,-0.1 -2,-0.2 0, 0.0 0.311 73.0 2.7-169.9 -40.0 28.5 -36.4 126.9 53 71 A E S S- 0 0 135 3,-0.0 -1,-0.3 0, 0.0 -8,-0.0 -0.396 76.8 -79.4-137.7-147.1 27.7 -33.2 124.9 54 72 A A S S+ 0 0 79 -2,-0.1 3,-0.1 -3,-0.1 0, 0.0 0.216 117.4 47.9-115.9 11.4 25.9 -31.5 122.0 55 73 A K S > S+ 0 0 98 -11,-0.1 3,-1.1 2,-0.0 2,-0.9 0.436 86.5 88.5-122.4 -14.8 28.1 -32.5 119.0 56 74 A V T 3 + 0 0 13 1,-0.3 -10,-0.2 -11,-0.1 -11,-0.1 -0.122 57.0 100.3 -78.0 36.4 28.3 -36.2 120.0 57 75 A C T 3 - 0 0 35 -2,-0.9 3,-0.3 -12,-0.1 -1,-0.3 0.633 63.6-168.8 -94.4 -18.6 25.1 -36.8 118.0 58 76 A T < - 0 0 3 -3,-1.1 2,-2.6 1,-0.2 -2,-0.1 0.813 13.9-150.2 25.9 86.3 27.2 -38.2 115.1 59 77 A I - 0 0 58 1,-0.2 236,-0.2 236,-0.1 -1,-0.2 -0.463 64.9 -61.9 -79.0 71.6 24.7 -38.5 112.3 60 78 A T S S- 0 0 55 -2,-2.6 -1,-0.2 234,-0.6 125,-0.1 0.312 81.8 -70.2 61.6 152.2 26.5 -41.4 110.8 61 79 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 123,-0.1 -0.096 58.5-144.7 -65.0-179.4 30.1 -40.5 109.6 62 80 A I - 0 0 75 123,-0.1 -20,-0.4 109,-0.0 123,-0.3 -1.000 10.2-143.3-153.5 152.2 30.5 -38.2 106.6 63 81 A M + 0 0 2 107,-0.7 2,-0.3 -2,-0.3 -23,-0.2 -0.578 26.1 156.5-105.4 169.8 32.7 -37.4 103.6 64 82 A G - 0 0 0 -25,-1.0 2,-0.3 -2,-0.2 105,-0.2 -0.984 26.7-149.5-179.5 169.7 33.7 -34.2 102.0 65 83 A Y E - F 0 168B 30 103,-1.0 103,-1.6 -2,-0.3 2,-0.7 -0.951 12.6-147.5-155.5 137.5 36.1 -32.2 99.8 66 84 A S E -EF 36 167B 47 -30,-3.3 -30,-0.6 -2,-0.3 -31,-0.5 -0.784 21.9-156.2-114.1 89.0 37.0 -28.5 100.0 67 85 A T - 0 0 2 99,-0.7 99,-0.3 -2,-0.7 -2,-0.0 -0.383 25.8-121.9 -70.5 136.8 37.7 -27.2 96.5 68 86 A P S S+ 0 0 18 0, 0.0 2,-0.5 0, 0.0 362,-0.3 0.585 88.8 103.3 -48.1 -12.9 39.9 -24.2 95.9 69 87 A W - 0 0 0 97,-0.2 97,-3.9 360,-0.1 2,-0.6 -0.653 60.7-160.1 -81.7 120.0 36.8 -22.9 94.1 70 88 A R - 0 0 0 -2,-0.5 358,-1.9 95,-0.3 95,-0.3 -0.888 15.9-169.8 -97.4 129.8 34.8 -20.4 96.0 71 89 A Y - 0 0 21 -2,-0.6 2,-0.3 356,-0.3 356,-0.2 -0.300 13.5-121.9-101.4-167.1 31.3 -20.4 94.5 72 90 A L - 0 0 0 -2,-0.1 354,-0.4 91,-0.1 2,-0.3 -0.998 17.3-163.9-148.6 151.6 28.6 -17.8 95.3 73 91 A D + 0 0 2 -2,-0.3 73,-0.0 78,-0.1 352,-0.0 -0.904 24.7 158.0-129.8 157.7 25.1 -17.4 96.6 74 92 A F + 0 0 0 -2,-0.3 2,-6.8 78,-0.1 6,-0.2 0.177 29.5 145.3-153.3 -4.5 22.4 -14.7 96.6 75 93 A N + 0 0 1 2,-0.1 321,-1.6 322,-0.1 2,-0.6 0.152 34.2 116.5 -35.6 31.1 19.5 -17.2 97.2 76 94 A A B > -G 395 0C 2 -2,-6.8 4,-0.8 319,-0.2 319,-0.2 -0.889 63.6-150.3-118.2 109.3 17.7 -14.6 99.3 77 95 A L H > S+ 0 0 0 317,-1.6 4,-1.0 -2,-0.6 -1,-0.2 0.780 94.7 80.0 -38.5 -23.4 14.3 -13.2 98.2 78 96 A N H >4 S+ 0 0 0 316,-0.4 2,-1.8 1,-0.2 3,-0.8 0.728 80.6 39.7 -52.1-131.0 16.0 -10.6 100.2 79 97 A L H 34 S+ 0 0 0 1,-0.2 -1,-0.2 74,-0.2 -58,-0.2 0.319 110.1 65.7 9.0 -42.8 18.7 -8.4 98.5 80 98 A F H 3< S+ 0 0 1 -2,-1.8 -59,-0.4 -4,-0.8 -1,-0.2 0.994 105.4 34.8 -57.8 -81.8 16.6 -8.3 95.3 81 99 A F S << S- 0 0 0 -4,-1.0 3,-0.1 -3,-0.8 -61,-0.0 -0.341 80.3-146.7 -69.3 161.6 13.6 -6.3 96.5 82 100 A S > - 0 0 33 1,-0.1 3,-2.6 -71,-0.0 2,-1.5 -0.600 29.3-110.0-138.6 79.9 14.5 -3.7 99.0 83 101 A P T 3>>S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 5,-0.6 -0.024 123.6 55.5 30.2 -66.7 11.7 -3.3 101.5 84 102 A L H 3>5S+ 0 0 129 -2,-1.5 4,-2.1 3,-0.2 5,-0.1 0.981 125.8 32.3 -44.3 -47.2 10.6 0.1 100.3 85 103 A E H <>5S+ 0 0 52 -3,-2.6 4,-1.4 2,-0.2 3,-0.6 0.993 118.6 49.0 -63.9 -83.7 10.5 -2.2 97.4 86 104 A F H >5S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.781 112.8 52.3 -21.2 -70.6 9.6 -5.5 98.9 87 105 A Q H X5S+ 0 0 49 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.847 105.8 52.4 -30.9 -69.7 6.8 -3.7 100.7 88 106 A H H >X + 0 0 32 24,-0.1 2,-1.5 22,-0.0 3,-1.4 -0.635 38.2 101.1 165.5 -96.7 24.5 -26.9 97.7 145 163 A L T 3 S+ 0 0 1 1,-0.3 4,-0.1 -2,-0.2 252,-0.1 0.219 80.2 62.2 15.6 -50.6 23.4 -23.3 97.7 146 164 A G T 3 S+ 0 0 0 -2,-1.5 2,-0.8 2,-0.1 -1,-0.3 0.641 79.6 93.7 -71.9 -14.3 19.8 -24.0 98.8 147 165 A Q S < S- 0 0 129 -3,-1.4 -1,-0.1 1,-0.2 -2,-0.0 -0.718 103.5 -78.8 -86.4 107.2 20.8 -25.5 102.2 148 166 A G + 0 0 63 -2,-0.8 -1,-0.2 1,-0.1 -2,-0.1 0.526 57.5 175.7 1.3 117.6 20.7 -22.8 104.9 149 167 A Q - 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