==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 07-JUN-10 2KYS . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 7; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.A.JOHNSON,K.JAUDZEMS,I.A.WILSON,K.WUTHRICH,JOINT CENTER FO . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 71.8 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 . 0 0.0 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 . 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 . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 2 2 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 133 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.3 -4.1 -17.0 -5.6 2 2 A H - 0 0 175 2,-0.2 2,-0.7 0, 0.0 4,-0.1 -0.909 360.0 -65.6-100.1 110.1 -0.6 -15.5 -5.4 3 3 A S S S- 0 0 126 -2,-0.7 2,-0.2 2,-0.1 0, 0.0 -0.194 94.9 -50.8 43.8 -86.4 1.4 -17.7 -2.9 4 4 A K S S- 0 0 169 -2,-0.7 2,-1.1 0, 0.0 -2,-0.2 -0.737 85.7 -27.3-152.3-168.8 -0.4 -17.0 0.4 5 5 A M - 0 0 113 -2,-0.2 2,-2.1 1,-0.1 -2,-0.1 -0.559 49.9-154.6 -57.1 96.9 -1.7 -14.5 2.9 6 6 A S - 0 0 43 -2,-1.1 33,-0.1 -4,-0.1 34,-0.1 -0.372 60.4 -78.4 -73.5 55.3 0.7 -11.5 2.3 7 7 A D + 0 0 69 -2,-2.1 2,-1.0 1,-0.2 4,-0.3 0.888 66.0 175.2 53.7 62.9 0.1 -10.3 5.8 8 8 A V + 0 0 49 1,-0.2 -1,-0.2 2,-0.1 24,-0.1 -0.619 37.1 116.4-103.5 72.0 -3.4 -8.7 5.5 9 9 A K S S- 0 0 131 -2,-1.0 -1,-0.2 26,-0.1 -2,-0.1 -0.118 92.6 -93.5-129.7 33.3 -4.2 -7.8 9.1 10 10 A C - 0 0 49 -3,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.935 51.5-175.1 50.0 68.1 -4.3 -4.0 8.6 11 11 A T + 0 0 63 -4,-0.3 2,-0.4 1,-0.2 25,-0.1 0.941 61.0 18.2 -44.6 -71.6 -0.6 -3.1 9.5 12 12 A S >> - 0 0 29 23,-0.1 3,-2.0 1,-0.1 4,-1.1 -0.928 60.8-138.1-128.3 130.4 -0.6 0.8 9.4 13 13 A V H 3> S+ 0 0 114 -2,-0.4 4,-3.0 1,-0.3 5,-0.4 0.779 96.7 81.9 -57.5 -23.4 -3.5 3.3 9.5 14 14 A V H 34 S+ 0 0 27 1,-0.2 59,-0.5 2,-0.2 -1,-0.3 0.694 103.3 30.8 -58.5 -24.5 -1.6 5.2 6.8 15 15 A L H <4 S+ 0 0 0 -3,-2.0 4,-0.4 2,-0.1 -1,-0.2 0.862 119.9 52.3 -85.9 -53.4 -3.1 2.8 4.2 16 16 A L H >X S+ 0 0 29 -4,-1.1 4,-2.6 1,-0.2 3,-0.8 0.770 103.4 54.1 -64.7 -42.9 -6.4 2.1 5.9 17 17 A S H 3X S+ 0 0 56 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.953 107.3 53.7 -54.3 -50.6 -7.6 5.7 6.6 18 18 A V H 34 S+ 0 0 2 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.584 113.3 43.2 -68.2 -12.7 -7.1 6.4 2.8 19 19 A L H X>>S+ 0 0 2 -3,-0.8 3,-1.8 -4,-0.4 5,-1.2 0.861 114.8 45.2 -94.8 -49.9 -9.4 3.4 1.9 20 20 A Q H 3<5S+ 0 0 140 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.660 95.9 79.3 -68.4 -17.7 -12.1 3.9 4.5 21 21 A Q T 3<5S+ 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -3,-0.1 0.670 111.9 18.3 -57.3 -19.8 -12.1 7.6 3.5 22 22 A L T <45S- 0 0 55 -3,-1.8 -2,-0.2 45,-0.0 -3,-0.1 0.700 122.5 -65.2-118.5 -85.3 -14.2 6.4 0.5 23 23 A R T <5 + 0 0 145 -4,-0.9 -3,-0.2 2,-0.0 -2,-0.1 0.083 59.9 172.7-169.4 21.1 -16.1 3.1 0.5 24 24 A V < - 0 0 34 -5,-1.2 2,-0.5 1,-0.1 3,-0.1 -0.140 22.2-141.2 -54.4 150.5 -13.5 0.3 0.6 25 25 A E > - 0 0 114 3,-0.2 3,-1.2 1,-0.1 6,-0.8 -0.978 11.5-154.0-116.5 122.0 -14.8 -3.3 0.9 26 26 A S T 3 S+ 0 0 87 -2,-0.5 6,-0.2 1,-0.2 -1,-0.1 0.825 101.8 57.8 -48.2 -40.9 -12.9 -5.9 3.1 27 27 A S T 3 S+ 0 0 112 -3,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.645 95.7 73.6 -69.2 -21.4 -14.6 -8.4 0.8 28 28 A S S X S- 0 0 34 -3,-1.2 3,-2.2 1,-0.1 4,-0.3 -0.904 88.7-121.5-109.9 132.2 -13.0 -6.9 -2.4 29 29 A K T 3> S+ 0 0 139 -2,-0.4 4,-2.6 1,-0.3 -1,-0.1 0.596 101.8 81.8 -44.6 -28.8 -9.3 -7.4 -3.2 30 30 A L H 3> S+ 0 0 15 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.852 86.2 55.0 -44.7 -48.4 -8.8 -3.6 -3.2 31 31 A W H X> S+ 0 0 59 -3,-2.2 4,-1.9 -6,-0.8 3,-1.1 0.971 115.1 38.4 -51.5 -57.9 -8.6 -3.5 0.6 32 32 A A H 3>>S+ 0 0 23 -4,-0.3 4,-2.5 1,-0.3 5,-0.5 0.820 101.9 73.6 -65.6 -34.1 -5.7 -6.0 0.6 33 33 A Q H 3<5S+ 0 0 80 -4,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.792 111.3 30.1 -52.5 -33.3 -4.1 -4.5 -2.5 34 34 A C H X S+ 0 0 12 -4,-1.8 3,-1.7 1,-0.2 4,-1.0 0.959 107.3 41.5 -47.6 -58.8 2.9 -1.5 2.1 39 39 A N H 3X S+ 0 0 23 -4,-0.8 4,-2.4 1,-0.3 -2,-0.2 0.896 106.1 63.8 -59.4 -43.0 4.9 -4.4 3.5 40 40 A D H 3< S+ 0 0 47 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.569 97.1 59.4 -65.9 -8.4 6.0 -5.4 -0.0 41 41 A I H X< S+ 0 0 0 -3,-1.7 3,-1.9 -4,-0.6 -1,-0.2 0.938 113.0 34.9 -73.2 -61.2 7.9 -2.0 -0.2 42 42 A L H 3< S+ 0 0 54 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.790 122.3 49.8 -65.7 -24.8 10.1 -2.8 2.8 43 43 A L T 3< S+ 0 0 123 -4,-2.4 -1,-0.3 -5,-0.2 -3,-0.2 0.110 89.8 118.3 -98.6 13.8 10.1 -6.5 1.7 44 44 A A S < S- 0 0 10 -3,-1.9 6,-0.1 -5,-0.2 -3,-0.1 -0.332 79.4-109.0 -69.4 168.4 11.1 -5.5 -1.9 45 45 A K S S- 0 0 163 4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.901 89.9 -22.6 -57.6 -48.3 14.3 -6.6 -3.5 46 46 A D S S- 0 0 88 1,-0.1 4,-0.2 -5,-0.1 -2,-0.1 -0.628 80.1 -78.3-147.8-169.0 16.0 -3.2 -3.4 47 47 A T S >> S+ 0 0 55 -2,-0.2 4,-1.8 2,-0.1 3,-1.3 0.962 122.8 46.4 -67.2 -62.1 15.0 0.6 -3.3 48 48 A T H 3> S+ 0 0 89 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.926 113.0 47.9 -58.6 -46.8 14.0 1.1 -6.9 49 49 A E H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.631 109.3 59.1 -72.9 -11.2 11.8 -2.1 -7.1 50 50 A A H X> S+ 0 0 0 -3,-1.3 3,-1.9 -4,-0.2 4,-1.1 0.965 110.1 36.3 -73.6 -64.4 10.2 -1.1 -3.8 51 51 A F H 3X S+ 0 0 78 -4,-1.8 4,-2.6 1,-0.3 5,-0.3 0.851 105.2 72.5 -69.1 -23.4 8.8 2.3 -4.8 52 52 A E H 3< S+ 0 0 118 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.819 100.1 47.5 -50.5 -33.6 8.0 0.9 -8.3 53 53 A K H X4 S+ 0 0 58 -3,-1.9 3,-1.2 -4,-0.4 -1,-0.2 0.904 110.2 49.6 -75.1 -44.7 5.2 -1.1 -6.5 54 54 A M H >X S+ 0 0 3 -4,-1.1 3,-2.2 1,-0.3 4,-1.7 0.903 104.2 57.9 -66.5 -37.0 3.8 2.0 -4.6 55 55 A V T 3< S+ 0 0 71 -4,-2.6 4,-0.4 1,-0.3 -1,-0.3 0.625 103.6 58.0 -67.5 -7.3 3.7 4.1 -7.7 56 56 A S T <4 S+ 0 0 88 -3,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.280 106.4 46.3-106.9 11.5 1.4 1.3 -9.1 57 57 A L T <> S+ 0 0 2 -3,-2.2 4,-2.8 3,-0.1 3,-0.4 0.689 99.8 60.6-112.0 -40.7 -1.2 1.6 -6.3 58 58 A L H X S+ 0 0 40 -4,-1.7 4,-2.3 1,-0.3 9,-0.2 0.883 110.1 45.2 -59.0 -32.4 -1.9 5.3 -6.0 59 59 A S H > S+ 0 0 86 -4,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.811 112.4 51.3 -78.6 -35.0 -3.1 5.4 -9.6 60 60 A V H > S+ 0 0 60 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.940 116.3 40.1 -70.9 -44.3 -5.2 2.2 -9.2 61 61 A L H >X>S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 3,-0.6 0.980 114.3 49.9 -67.5 -56.7 -7.0 3.5 -6.0 62 62 A L H 3<5S+ 0 0 68 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.712 108.6 55.3 -64.7 -18.6 -7.5 7.1 -7.2 63 63 A S H 3<5S+ 0 0 109 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.916 117.8 34.1 -70.4 -46.4 -9.0 5.9 -10.4 64 64 A M H <<5S+ 0 0 74 -4,-1.4 -2,-0.2 -3,-0.6 -3,-0.1 0.760 143.2 4.8 -78.9 -28.1 -11.6 3.8 -8.6 65 65 A Q T <5S- 0 0 15 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.519 81.2-128.6-142.7 -15.2 -12.2 6.1 -5.6 66 66 A G < - 0 0 48 -5,-0.6 -4,-0.1 -4,-0.4 2,-0.1 0.929 37.5-176.8 58.1 54.9 -10.3 9.5 -5.8 67 67 A A - 0 0 7 -9,-0.2 -1,-0.1 1,-0.1 -49,-0.1 -0.363 21.0-155.9 -76.0 165.4 -8.6 9.4 -2.3 68 68 A V S > S+ 0 0 111 -2,-0.1 3,-0.6 1,-0.1 2,-0.6 0.858 83.0 57.5-107.1 -56.1 -6.5 12.4 -0.9 69 69 A D T >> S+ 0 0 55 1,-0.2 3,-1.4 2,-0.1 4,-0.7 0.199 70.7 116.2 -65.3 16.5 -4.0 11.0 1.7 70 70 A I H 3> S+ 0 0 2 -2,-0.6 4,-0.6 1,-0.3 -1,-0.2 0.665 70.7 54.2 -73.8 -15.7 -2.5 8.5 -0.8 71 71 A N H <> S+ 0 0 79 -3,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.670 91.8 75.5 -87.2 -16.8 1.0 10.1 -0.8 72 72 A R H <> S+ 0 0 139 -3,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.963 97.0 44.8 -59.7 -53.8 1.2 9.7 3.1 73 73 A L H >X S+ 0 0 0 -4,-0.7 4,-2.7 -59,-0.5 3,-0.6 0.885 112.0 54.3 -56.4 -43.1 1.9 6.0 2.9 74 74 A C H 3X S+ 0 0 11 -4,-0.6 4,-2.7 1,-0.2 5,-0.4 0.946 108.1 46.0 -58.2 -54.5 4.5 6.5 0.1 75 75 A E H 3< S+ 0 0 144 -4,-2.2 -1,-0.2 2,-0.2 4,-0.2 0.571 117.2 48.2 -73.7 -7.1 6.6 9.1 1.9 76 76 A E H X S+ 0 0 58 -4,-2.7 4,-2.2 -5,-0.3 3,-0.7 0.913 111.2 46.1 -69.4 -41.6 9.9 4.8 1.0 79 79 A D H 3> S+ 0 0 110 -5,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.842 109.2 54.8 -71.7 -28.4 11.8 6.6 3.8 80 80 A N H 3< S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.596 110.5 48.4 -82.0 -11.3 11.7 3.5 6.0 81 81 A R H X4 S+ 0 0 16 -3,-0.7 3,-2.0 -4,-0.4 -2,-0.2 0.865 107.6 52.8 -83.4 -49.3 13.3 1.7 3.0 82 82 A A H >< S+ 0 0 49 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.825 99.3 62.7 -64.1 -33.4 16.0 4.4 2.5 83 83 A T T 3< S+ 0 0 115 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.677 100.9 56.7 -61.1 -18.5 17.1 4.1 6.2 84 84 A L T < 0 0 116 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.353 360.0 360.0 -96.6 1.2 18.0 0.4 5.3 85 85 A Q < 0 0 121 -3,-1.8 -1,-0.2 -4,-0.1 -4,-0.0 -0.673 360.0 360.0-149.2 360.0 20.4 1.3 2.4