==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 07-JUN-10 2XGV . COMPND 2 MOLECULE: PSIV CAPSID N-TERMINAL DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROCEBUS MURINUS; . AUTHOR D.C.GOLDSTONE,L.E.ROBERTSON,L.F.HAIRE,J.P.STOYE,I.A.TAYLOR . 133 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 69.2 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 . 4 3.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 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 . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A P 0 0 32 0, 0.0 11,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 163.4 7.6 -5.4 3.1 2 2 A V E +A 11 0A 7 44,-3.1 2,-0.3 9,-0.2 9,-0.2 -0.938 360.0 169.3-103.7 116.5 7.1 -7.4 6.3 3 3 A V E -A 10 0A 14 7,-2.5 7,-2.8 -2,-0.6 2,-0.5 -0.857 35.0-141.2-128.9 158.3 3.6 -8.7 6.4 4 4 A N E +A 9 0A 76 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.920 20.5 171.8-121.7 104.3 1.4 -11.1 8.3 5 5 A R S S- 0 0 172 3,-0.7 4,-0.1 -2,-0.5 -1,-0.1 -0.092 70.9 -81.4-101.8 33.4 -1.1 -13.0 6.0 6 6 A G S S+ 0 0 75 1,-0.0 3,-0.1 0, 0.0 -2,-0.0 0.157 124.8 81.7 91.1 -19.0 -2.3 -15.4 8.7 7 7 A Q S S- 0 0 105 1,-0.4 2,-0.2 3,-0.0 -3,-0.1 0.499 108.9 -90.3 -93.5 -4.8 0.7 -17.7 8.2 8 8 A G - 0 0 31 2,-0.1 -3,-0.7 0, 0.0 -1,-0.4 -0.474 66.1 -35.5 115.0 168.3 2.9 -15.6 10.4 9 9 A W E +A 4 0A 105 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.441 68.7 170.3 -64.6 128.2 5.3 -12.6 9.8 10 10 A A E -A 3 0A 46 -7,-2.8 -7,-2.5 -2,-0.2 2,-0.4 -0.984 32.8-120.9-139.7 149.9 7.0 -13.0 6.5 11 11 A Y E -A 2 0A 84 -2,-0.3 -9,-0.2 -9,-0.2 95,-0.0 -0.757 26.6-176.2 -88.0 135.1 9.2 -10.9 4.2 12 12 A E - 0 0 71 -11,-2.4 3,-0.1 -2,-0.4 -2,-0.0 -0.998 31.1-109.2-130.1 130.4 8.0 -10.3 0.7 13 13 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 -0.245 32.9-110.8 -52.8 136.8 10.2 -8.3 -1.9 14 14 A M - 0 0 35 1,-0.1 2,-0.1 2,-0.0 33,-0.0 -0.517 40.7-116.5 -62.3 139.0 9.1 -4.8 -2.8 15 15 A S > - 0 0 58 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.363 12.8-118.9 -76.5 159.5 7.9 -4.9 -6.4 16 16 A T H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 115.8 59.7 -59.3 -40.1 9.6 -3.0 -9.2 17 17 A R H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 104.0 49.4 -55.3 -48.4 6.3 -1.2 -9.7 18 18 A T H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 113.3 44.5 -58.5 -47.7 6.4 0.1 -6.1 19 19 A V H X S+ 0 0 30 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.902 113.5 50.6 -67.9 -40.3 10.0 1.4 -6.3 20 20 A A H X S+ 0 0 50 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.889 109.3 51.6 -64.0 -40.2 9.4 3.0 -9.7 21 21 A A H X S+ 0 0 38 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.914 110.3 48.5 -61.5 -43.6 6.3 4.7 -8.4 22 22 A W H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.930 110.2 51.9 -62.0 -46.5 8.2 6.1 -5.4 23 23 A I H X S+ 0 0 57 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.915 111.8 47.2 -54.5 -46.1 11.0 7.3 -7.8 24 24 A R H X S+ 0 0 45 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.908 108.0 55.0 -64.6 -43.0 8.3 9.0 -9.9 25 25 A Q H X S+ 0 0 15 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.933 111.4 44.2 -54.2 -47.6 6.6 10.7 -6.9 26 26 A T H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.837 111.3 55.6 -69.9 -30.6 9.9 12.2 -5.8 27 27 A G H < S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.901 117.4 33.1 -65.3 -41.9 10.6 13.2 -9.3 28 28 A E H < S+ 0 0 146 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.776 135.8 19.9 -87.1 -33.9 7.4 15.2 -9.7 29 29 A K H X S- 0 0 87 -4,-2.6 4,-0.5 -5,-0.3 7,-0.3 0.298 99.3-128.6-125.4 8.4 6.8 16.5 -6.2 30 30 A G T < - 0 0 20 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.071 33.7 -74.3 71.3-172.9 10.2 16.4 -4.6 31 31 A L T 4 S+ 0 0 2 1,-0.1 -1,-0.2 -4,-0.1 9,-0.1 0.757 121.1 42.4 -94.9 -26.5 11.1 14.8 -1.2 32 32 A T T 4 S+ 0 0 30 -6,-0.1 -1,-0.1 4,-0.1 -2,-0.1 0.256 79.9 117.9-116.0 12.3 9.7 17.4 1.3 33 33 A S S X S- 0 0 20 -4,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.360 76.9-112.4 -72.4 157.0 6.2 18.3 -0.2 34 34 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.885 120.5 52.6 -54.9 -36.3 3.0 17.6 1.8 35 35 A E H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 110.7 42.5 -64.3 -51.9 2.3 15.1 -1.0 36 36 A T H > S+ 0 0 0 -7,-0.3 4,-3.8 2,-0.2 5,-0.2 0.924 113.1 53.7 -66.5 -39.7 5.6 13.2 -0.9 37 37 A I H X S+ 0 0 27 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.914 111.9 44.8 -59.2 -43.5 5.5 13.2 2.9 38 38 A T H X S+ 0 0 100 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.922 113.4 50.8 -63.8 -45.8 2.0 11.7 2.9 39 39 A Y H X S+ 0 0 66 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.949 110.0 51.0 -56.7 -49.9 3.1 9.2 0.2 40 40 A W H X S+ 0 0 0 -4,-3.8 4,-2.1 1,-0.2 -1,-0.2 0.903 107.1 52.8 -49.9 -48.5 6.2 8.3 2.3 41 41 A G H < S+ 0 0 14 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.878 113.7 42.9 -62.4 -38.5 4.0 7.6 5.4 42 42 A L H >< S+ 0 0 113 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.959 115.9 44.8 -72.9 -50.5 1.8 5.3 3.5 43 43 A I H 3< S+ 0 0 41 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.794 113.8 51.2 -67.9 -26.6 4.3 3.3 1.5 44 44 A S T >< S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 0.543 79.1 97.0 -87.9 -5.5 6.7 2.9 4.5 45 45 A Q T < S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.763 98.4 25.2 -64.7 -26.8 4.2 1.5 7.0 46 46 A D T 3 S+ 0 0 79 -3,-0.4 -44,-3.1 -4,-0.3 -1,-0.3 0.135 98.0 117.0-119.5 16.0 5.1 -2.2 6.5 47 47 A L < - 0 0 12 -3,-1.6 71,-0.1 -46,-0.3 2,-0.1 -0.617 63.3-122.8 -87.1 143.8 8.6 -1.7 5.2 48 48 A S > - 0 0 9 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.395 32.9-105.5 -70.9 162.1 11.7 -3.1 7.0 49 49 A S H > S+ 0 0 8 1,-0.2 4,-2.1 61,-0.2 5,-0.2 0.902 124.8 52.8 -57.3 -39.4 14.4 -0.5 8.0 50 50 A R H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.872 106.4 51.8 -61.8 -40.7 16.5 -1.9 5.1 51 51 A E H > S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.820 109.0 52.2 -65.9 -29.8 13.6 -1.4 2.7 52 52 A Q H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 107.6 49.5 -73.7 -42.4 13.4 2.2 3.9 53 53 A V H X S+ 0 0 24 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 108.8 55.8 -54.6 -46.4 17.1 2.9 3.3 54 54 A Q H X S+ 0 0 102 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.875 107.0 47.6 -60.1 -41.3 16.6 1.4 -0.1 55 55 A L H X S+ 0 0 0 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.912 111.2 49.4 -66.8 -46.0 13.8 3.9 -1.1 56 56 A L H >< S+ 0 0 24 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.897 112.1 52.4 -57.5 -39.7 15.7 6.9 0.2 57 57 A E H 3< S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 104.5 52.3 -65.9 -38.7 18.7 5.7 -1.8 58 58 A V H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.549 78.2 115.5 -82.2 -4.1 16.9 5.3 -5.2 59 59 A V << - 0 0 1 -4,-0.7 2,-0.2 -3,-0.7 -36,-0.1 -0.514 67.6-133.6 -63.5 114.3 15.5 8.8 -5.0 60 60 A P - 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.509 59.0 -23.2 -76.7 138.7 17.2 10.5 -8.0 61 61 A G S S+ 0 0 48 -2,-0.2 5,-0.1 1,-0.1 -34,-0.0 -0.288 79.9 116.5 65.2-146.7 18.9 13.9 -7.6 62 62 A L > + 0 0 63 3,-0.1 4,-2.3 1,-0.1 5,-0.2 0.881 37.5 162.3 48.7 43.2 17.7 16.1 -4.7 63 63 A Q H > + 0 0 104 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.923 66.2 54.3 -57.8 -50.2 21.2 15.8 -3.2 64 64 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 113.0 43.2 -52.4 -49.9 20.8 18.8 -0.9 65 65 A D H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 114.4 50.8 -62.7 -41.6 17.7 17.3 0.7 66 66 A K H X S+ 0 0 53 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.839 112.1 46.7 -68.1 -34.0 19.2 13.8 0.8 67 67 A D H X S+ 0 0 100 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.915 114.0 47.4 -71.7 -43.9 22.3 15.1 2.6 68 68 A M H X S+ 0 0 89 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.860 113.6 47.8 -65.8 -36.9 20.3 17.2 5.0 69 69 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.924 111.7 51.2 -67.5 -42.5 18.0 14.2 5.7 70 70 A G H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.904 109.3 49.2 -57.9 -43.8 21.1 12.0 6.1 71 71 A A H X S+ 0 0 59 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.851 111.4 51.0 -66.5 -34.0 22.7 14.4 8.6 72 72 A Y H X S+ 0 0 31 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.906 110.6 47.3 -67.1 -43.6 19.4 14.5 10.5 73 73 A L H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.850 109.4 54.5 -71.1 -32.6 19.2 10.7 10.7 74 74 A E H X S+ 0 0 107 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 109.1 47.8 -63.4 -43.6 22.8 10.5 11.8 75 75 A E H X S+ 0 0 83 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 111.6 49.6 -64.5 -43.2 22.1 12.9 14.7 76 76 A R H X S+ 0 0 60 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 111.0 51.7 -58.7 -38.9 19.0 10.9 15.6 77 77 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 109.6 48.2 -64.5 -43.6 21.2 7.8 15.5 78 78 A R H X S+ 0 0 187 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.928 110.6 51.0 -64.3 -46.0 23.8 9.3 17.8 79 79 A E H < S+ 0 0 84 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.894 111.0 49.9 -57.0 -42.4 21.1 10.4 20.3 80 80 A W H >< S+ 0 0 38 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.942 112.4 44.9 -62.9 -48.5 19.7 6.9 20.3 81 81 A D H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.653 109.0 58.9 -72.3 -14.3 23.0 5.2 20.9 82 82 A A T 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.444 79.0 118.6 -93.6 -1.2 23.9 7.8 23.6 83 83 A Q S < S- 0 0 98 -3,-1.3 2,-1.5 -4,-0.3 5,-0.1 -0.376 72.2-119.4 -65.2 142.3 20.8 6.9 25.7 84 84 A P S S+ 0 0 132 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.635 72.9 108.6 -84.9 81.2 21.5 5.6 29.3 85 85 A Q - 0 0 107 -2,-1.5 3,-0.3 3,-0.0 -2,-0.1 -0.669 58.1-136.5-159.7 101.7 19.9 2.1 29.1 86 86 A Q S S+ 0 0 96 1,-0.3 2,-0.0 -2,-0.2 0, 0.0 -0.904 91.8 23.4-100.4 126.9 21.8 -1.2 29.0 87 87 A P S S- 0 0 112 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.460 81.5-159.6 -97.2 134.5 20.8 -3.1 27.2 88 88 A L - 0 0 43 -3,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.295 32.7-115.2 -56.3 153.4 19.0 -1.0 24.6 89 89 A P S S- 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.808 89.6 -17.4 -64.8 -31.2 16.5 -3.1 22.6 90 90 A Y S S- 0 0 11 23,-0.0 2,-0.2 20,-0.0 20,-0.0 -0.946 75.7-100.4-162.8 170.9 18.5 -2.6 19.4 91 91 A T > - 0 0 59 -2,-0.3 4,-1.9 -3,-0.1 3,-0.5 -0.516 33.8-108.6 -97.4 169.6 21.2 -0.2 18.1 92 92 A S H > S+ 0 0 6 1,-0.2 4,-2.7 -15,-0.2 6,-0.2 0.757 119.6 64.1 -66.9 -23.8 20.7 2.8 15.8 93 93 A A H 4>S+ 0 0 30 2,-0.2 5,-2.9 1,-0.2 6,-1.4 0.869 104.1 45.7 -66.6 -36.8 22.4 0.7 13.1 94 94 A H H >45S+ 0 0 47 -3,-0.5 3,-1.4 4,-0.2 -2,-0.2 0.939 113.1 50.0 -66.9 -51.7 19.5 -1.8 13.3 95 95 A I H 3<5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 22,-0.2 0.923 112.5 47.6 -47.5 -50.9 17.0 1.1 13.3 96 96 A R T 3<5S- 0 0 49 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.396 114.8-113.5 -80.4 -0.1 18.7 2.7 10.2 97 97 A G T < 5S+ 0 0 5 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.719 84.2 119.1 78.1 20.9 18.9 -0.6 8.3 98 98 A L S - 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