==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/ANTIVIRAL PROTEIN 09-JUN-11 3SDL . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR R.GUAN,L.-C.MA,R.M.KRUG,G.T.MONTELIONE,NORTHEAST STRUCTURAL . 494 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 4 0 0 0 0 2 0 0 1 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 4 2 0 4 2 2 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 . 0 0 0 4 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 7 A T 0 0 123 0, 0.0 2,-0.5 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 59.4 10.1 -38.8 82.1 2 8 A T - 0 0 116 133,-0.1 2,-0.1 2,-0.0 137,-0.0 -0.945 360.0-137.1-124.3 111.9 8.3 -41.8 83.6 3 9 A Q - 0 0 126 -2,-0.5 2,-0.5 1,-0.1 129,-0.0 -0.332 6.7-147.5 -73.0 143.3 8.2 -44.9 81.4 4 10 A I - 0 0 28 126,-0.2 131,-0.1 127,-0.1 -1,-0.1 -0.948 22.6-121.3-112.8 118.9 5.0 -47.0 80.9 5 11 A E + 0 0 160 -2,-0.5 2,-0.3 1,-0.0 126,-0.0 -0.297 38.3 179.3 -60.2 134.6 5.5 -50.7 80.5 6 12 A V - 0 0 24 123,-0.1 123,-0.1 -2,-0.0 122,-0.1 -0.821 20.4-124.7-132.3 170.9 4.1 -52.1 77.2 7 13 A G > - 0 0 43 121,-0.5 3,-2.1 -2,-0.3 4,-0.3 -0.528 43.8 -83.6-109.9-179.9 3.8 -55.3 75.3 8 14 A P T > S+ 0 0 125 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.785 119.3 69.1 -55.2 -32.3 4.7 -56.4 71.7 9 15 A G T 3> S+ 0 0 58 1,-0.3 4,-0.9 2,-0.2 122,-0.1 0.553 82.8 75.6 -66.4 -7.2 1.5 -55.0 70.2 10 16 A A H <> S+ 0 0 4 -3,-2.1 4,-2.3 2,-0.2 121,-0.7 0.751 84.2 63.4 -78.7 -25.1 2.8 -51.5 70.9 11 17 A T H <> S+ 0 0 61 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.2 0.976 107.7 38.6 -63.5 -57.4 5.3 -51.4 68.1 12 18 A N H > S+ 0 0 57 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.769 116.3 56.2 -64.8 -24.6 2.7 -51.8 65.2 13 19 A A H X S+ 0 0 5 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.883 106.3 47.9 -73.0 -41.3 0.5 -49.4 67.2 14 20 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 115,-0.3 5,-0.2 0.869 107.2 56.7 -68.3 -37.4 3.1 -46.7 67.4 15 21 A I H X S+ 0 0 5 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.883 113.5 40.6 -60.3 -39.3 3.8 -46.9 63.7 16 22 A N H X S+ 0 0 10 -4,-1.2 4,-2.1 2,-0.2 59,-0.2 0.911 114.0 51.7 -76.3 -45.2 0.1 -46.3 63.0 17 23 A F H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.941 113.4 45.1 -53.7 -49.2 -0.3 -43.6 65.6 18 24 A E H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.713 105.0 61.9 -74.7 -20.6 2.7 -41.7 64.3 19 25 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 -5,-0.2 -1,-0.2 0.950 106.0 46.9 -61.4 -49.4 1.5 -42.2 60.7 20 26 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 51,-0.3 -2,-0.2 0.838 107.4 57.5 -59.4 -35.3 -1.6 -40.2 61.8 21 27 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.918 106.6 48.7 -60.5 -44.8 0.8 -37.7 63.4 22 28 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.907 106.6 56.1 -60.5 -43.8 2.5 -37.2 60.0 23 29 A E H X S+ 0 0 19 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.820 109.1 47.6 -60.2 -32.1 -0.9 -36.8 58.3 24 30 A C H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.2 -1,-0.2 0.907 108.8 52.4 -75.6 -44.4 -1.6 -33.9 60.8 25 31 A Y H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.949 111.9 48.4 -51.9 -49.5 1.7 -32.3 60.2 26 32 A E H X S+ 0 0 26 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.920 111.5 46.7 -59.9 -48.8 1.0 -32.4 56.5 27 33 A R H X S+ 0 0 43 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.860 112.3 52.7 -62.5 -35.4 -2.5 -30.9 56.8 28 34 A F H ><>S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 5,-1.0 0.897 103.6 56.2 -64.8 -40.9 -1.1 -28.3 59.1 29 35 A S H ><5S+ 0 0 8 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.815 97.3 63.9 -63.9 -28.7 1.6 -27.4 56.5 30 36 A W H 3<5S+ 0 0 42 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.798 96.9 57.5 -61.9 -28.2 -1.2 -26.8 54.0 31 37 A Q T <<5S- 0 0 1 -3,-1.3 323,-0.3 -4,-0.6 -1,-0.3 0.497 111.2-126.7 -81.2 -3.8 -2.3 -23.9 56.3 32 38 A R T < 5S+ 0 0 83 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.866 80.3 115.0 60.8 37.2 1.1 -22.4 55.9 33 39 A A < + 0 0 1 -5,-1.0 2,-0.8 76,-0.1 77,-0.3 0.405 41.7 101.8-112.4 -4.3 1.5 -22.3 59.6 34 40 A L - 0 0 0 -6,-0.3 66,-0.1 -5,-0.2 73,-0.1 -0.745 67.1-142.8 -88.4 107.5 4.4 -24.8 59.9 35 41 A D > - 0 0 13 -2,-0.8 4,-1.7 71,-0.5 5,-0.2 -0.021 28.3 -96.9 -62.8 172.7 7.7 -22.9 60.3 36 42 A Y H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.915 124.2 48.0 -64.7 -47.0 10.9 -24.0 58.6 37 43 A P H > S+ 0 0 72 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.905 113.5 51.4 -56.9 -39.0 12.3 -25.9 61.6 38 44 A G H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.795 103.8 56.6 -67.9 -31.0 8.9 -27.6 61.9 39 45 A Q H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.825 104.2 54.0 -70.0 -31.4 8.9 -28.5 58.3 40 46 A D H X S+ 0 0 111 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.908 104.8 52.6 -67.9 -43.0 12.1 -30.4 58.8 41 47 A R H X S+ 0 0 54 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.801 109.5 52.2 -61.9 -28.4 10.6 -32.4 61.7 42 48 A L H X S+ 0 0 10 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.941 111.0 44.5 -69.3 -49.9 7.8 -33.3 59.3 43 49 A H H X S+ 0 0 44 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.818 114.2 49.1 -68.7 -32.0 10.1 -34.5 56.5 44 50 A R H X S+ 0 0 125 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.889 109.1 51.5 -75.6 -38.7 12.4 -36.5 58.9 45 51 A L H X S+ 0 0 26 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.850 110.9 49.6 -66.1 -33.5 9.4 -38.3 60.6 46 52 A K H X S+ 0 0 68 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.905 110.8 50.5 -68.2 -41.3 8.1 -39.2 57.2 47 53 A R H X S+ 0 0 152 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.971 116.6 38.8 -60.2 -56.3 11.6 -40.6 56.2 48 54 A K H X S+ 0 0 97 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.911 114.1 56.2 -59.5 -44.1 11.9 -42.7 59.4 49 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.916 108.6 45.9 -56.8 -46.1 8.3 -43.6 59.2 50 56 A E H X S+ 0 0 92 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.832 112.9 52.4 -65.2 -31.5 8.7 -45.0 55.7 51 57 A S H X S+ 0 0 72 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.842 112.5 43.9 -71.7 -34.9 11.8 -46.8 56.9 52 58 A R H X S+ 0 0 59 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.844 112.7 50.5 -80.4 -36.0 10.0 -48.4 59.8 53 59 A I H X S+ 0 0 10 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.912 111.5 48.7 -65.9 -43.0 6.9 -49.4 57.8 54 60 A K H X S+ 0 0 152 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.856 115.7 45.1 -63.3 -36.2 9.1 -51.0 55.2 55 61 A T H X S+ 0 0 80 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.843 116.2 45.0 -76.4 -36.3 11.0 -52.8 58.0 56 62 A H H >< S+ 0 0 31 -4,-2.5 3,-0.7 2,-0.2 4,-0.3 0.905 106.9 58.5 -75.3 -43.4 7.9 -53.9 59.9 57 63 A N H >< S+ 0 0 26 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.907 104.5 50.2 -53.2 -48.1 6.0 -55.0 56.8 58 64 A K H 3< S+ 0 0 148 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.776 105.1 59.5 -62.6 -26.3 8.6 -57.6 55.9 59 65 A S T << S+ 0 0 83 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.480 106.9 56.3 -80.9 -2.9 8.5 -58.9 59.5 60 66 A E S < S- 0 0 88 -3,-1.8 5,-0.1 -4,-0.3 0, 0.0 -0.925 97.4 -85.8-131.7 153.5 4.8 -59.7 59.1 61 67 A P >> - 0 0 76 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.116 39.8-116.0 -53.2 153.3 2.7 -61.8 56.7 62 68 A E G >4 S+ 0 0 134 1,-0.2 3,-0.9 2,-0.2 -4,-0.0 0.844 111.5 61.5 -62.6 -36.8 1.6 -60.2 53.4 63 69 A N G 34 S+ 0 0 132 1,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.649 109.9 41.8 -68.4 -14.1 -2.1 -60.4 54.3 64 70 A K G <4 S+ 0 0 139 -3,-1.2 -1,-0.3 -7,-0.1 -2,-0.2 0.480 89.2 115.3-107.8 -7.5 -1.5 -58.1 57.4 65 71 A R << - 0 0 95 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.0 -0.319 46.0-165.4 -67.0 146.2 0.9 -55.7 55.7 66 72 A M - 0 0 56 -13,-0.2 -9,-0.1 -2,-0.0 2,-0.1 -0.976 13.5-126.2-137.5 148.5 -0.2 -52.1 55.3 67 73 A S > - 0 0 59 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.373 34.5-102.5 -87.6 167.9 0.9 -49.0 53.3 68 74 A L H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.891 125.5 46.3 -54.7 -41.8 1.8 -45.6 54.6 69 75 A E H > S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.824 110.4 53.2 -72.7 -32.1 -1.6 -44.3 53.4 70 76 A E H > S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.868 110.7 46.2 -70.2 -37.6 -3.4 -47.3 54.9 71 77 A R H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -51,-0.3 0.804 103.7 63.5 -75.9 -31.2 -1.8 -46.7 58.3 72 78 A K H X S+ 0 0 12 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.934 100.8 52.3 -55.0 -47.6 -2.6 -43.0 58.2 73 79 A A H X S+ 0 0 43 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.889 111.2 46.2 -58.1 -42.1 -6.3 -43.8 58.1 74 80 A I H X S+ 0 0 40 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.908 112.7 50.2 -67.6 -42.0 -6.0 -45.9 61.2 75 81 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -59,-0.2 -2,-0.2 0.851 106.5 55.6 -65.0 -36.7 -3.8 -43.3 63.0 76 82 A V H X S+ 0 0 13 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.949 108.5 46.9 -59.9 -50.8 -6.4 -40.6 62.2 77 83 A K H X S+ 0 0 65 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.909 111.5 52.3 -58.0 -43.5 -9.2 -42.5 63.9 78 84 A M H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.918 109.6 48.6 -59.7 -44.3 -7.0 -43.2 66.9 79 85 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.883 107.2 55.4 -65.4 -38.3 -6.1 -39.6 67.3 80 86 A K H X S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.892 107.2 51.0 -60.2 -39.7 -9.8 -38.5 67.1 81 87 A V H X>S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 5,-1.0 0.886 112.2 46.1 -65.1 -38.1 -10.6 -40.9 69.9 82 88 A L H <5S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.895 115.2 45.4 -73.5 -40.4 -7.8 -39.4 72.1 83 89 A L H <5S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.914 126.3 30.2 -69.4 -43.7 -8.7 -35.8 71.4 84 90 A F H <5S- 0 0 30 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.560 97.9-137.9 -91.2 -8.9 -12.4 -36.3 71.9 85 91 A M T <5 + 0 0 44 -4,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.951 64.6 118.7 48.9 55.0 -11.9 -39.1 74.4 86 92 A D > < - 0 0 47 -5,-1.0 3,-2.0 -6,-0.2 4,-0.2 -0.888 64.6-145.4-157.4 117.5 -14.7 -41.0 72.8 87 93 A P T 3> S+ 0 0 7 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.600 93.6 78.3 -56.3 -13.8 -14.7 -44.5 71.0 88 94 A S T 34 S+ 0 0 42 154,-0.4 4,-0.1 2,-0.3 3,-0.1 0.642 93.0 48.7 -72.5 -14.5 -17.3 -43.1 68.6 89 95 A A T <4 S+ 0 0 20 -3,-2.0 -1,-0.2 1,-0.2 104,-0.1 0.892 126.8 36.3 -61.5 -49.4 -14.7 -41.2 66.6 90 96 A G T >4> + 0 0 0 -3,-0.4 3,-2.2 -4,-0.2 5,-0.6 -0.410 54.1 128.1 159.6 -72.1 -13.4 -43.8 66.8 91 97 A I G ><5S+ 0 0 41 -4,-0.5 3,-2.5 1,-0.3 -3,-0.1 0.752 87.4 64.8 -48.0 -37.3 -14.3 -47.5 66.7 92 98 A E G 3 5S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 -14,-0.1 0.856 92.1 63.0 -57.5 -35.9 -11.8 -48.3 64.0 93 99 A G G < 5S- 0 0 1 -3,-2.2 109,-2.4 -6,-0.1 110,-0.4 0.455 124.4-110.6 -65.9 1.5 -9.0 -47.4 66.4 94 100 A F T < 5 0 0 89 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.077 360.0 360.0 87.7 -21.2 -10.5 -50.3 68.3 95 101 A E < 0 0 0 -5,-0.6 -1,-0.2 168,-0.1 -4,-0.2 0.230 360.0 360.0 179.9 360.0 -11.8 -48.0 71.0 96 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 7 B T 0 0 125 0, 0.0 2,-0.3 0, 0.0 -54,-0.0 0.000 360.0 360.0 360.0 108.0 10.6 -32.4 48.6 98 8 B T - 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