==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICASE PROTEIN 30-JAN-04 1UW7 . COMPND 2 MOLECULE: NSP9; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS HKU-39849; . AUTHOR G.SUTTON,E.FRY,L.CARTER,S.SAINSBURY,T.WALTER,J.NETTLESHIP, . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 61.5 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 . 41 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.8 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 9.0 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+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 0 1 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 . 2 0 0 2 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 . 1 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 -9 A F 0 0 159 0, 0.0 18,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 101.9 4.4 49.3 8.7 2 -8 A L - 0 0 18 16,-0.3 16,-3.6 15,-0.1 2,-0.3 -0.041 360.0-162.3 -63.8 162.6 3.1 46.5 6.6 3 -7 A E E -A 17 0A 85 111,-0.4 2,-0.3 14,-0.3 14,-0.2 -0.861 17.0-173.1-139.6 173.0 -0.2 44.6 6.8 4 -6 A V E -A 16 0A 17 12,-1.6 12,-2.6 -2,-0.3 2,-0.4 -0.902 32.7-116.4-165.3 135.0 -2.1 41.5 5.8 5 -5 A L E -A 15 0A 86 10,-0.3 2,-0.4 -2,-0.3 8,-0.0 -0.685 28.1-144.4 -87.2 135.4 -5.8 40.9 6.3 6 -4 A F E -A 14 0A 119 8,-3.8 8,-3.5 -2,-0.4 2,-0.9 -0.817 10.0-126.9-101.3 136.2 -6.7 38.0 8.7 7 -3 A Q E -A 13 0A 104 -2,-0.4 6,-0.3 6,-0.3 4,-0.1 -0.692 17.3-167.3 -86.6 104.8 -9.6 35.7 8.2 8 -2 A G E > -A 12 0A 22 4,-3.8 4,-1.9 -2,-0.9 -2,-0.0 -0.814 42.9 -97.8 -91.0 105.1 -11.9 35.5 11.3 9 -1 A P T 4 S+ 0 0 101 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.551 108.7 66.5 -13.5 162.1 -14.1 32.4 10.6 10 1 A N T 4 S- 0 0 156 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.600 134.9 -78.4 79.4 14.6 -17.7 32.5 9.2 11 2 A N T 4 S+ 0 0 121 1,-0.2 2,-0.7 -4,-0.1 -1,-0.2 0.776 88.0 152.9 63.0 37.9 -15.3 33.8 6.4 12 3 A E E < -A 8 0A 128 -4,-1.9 -4,-3.8 -3,-0.4 2,-0.3 -0.846 27.3-159.4-100.4 110.6 -14.8 37.3 7.8 13 4 A L E -A 7 0A 97 -2,-0.7 -6,-0.3 -6,-0.3 -8,-0.0 -0.700 11.4-178.0 -92.7 139.5 -11.5 38.8 6.8 14 5 A S E -A 6 0A 47 -8,-3.5 -8,-3.8 -2,-0.3 -10,-0.1 -0.981 32.7-101.7-144.4 129.0 -10.0 41.7 8.7 15 6 A P E -A 5 0A 92 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 -0.137 39.2-173.9 -47.7 126.3 -6.8 43.8 8.3 16 7 A V E -A 4 0A 52 -12,-2.6 -12,-1.6 3,-0.0 -2,-0.0 -0.985 28.6-109.3-131.7 123.2 -4.0 42.8 10.7 17 8 A A E -A 3 0A 25 -2,-0.4 2,-1.0 -14,-0.2 -14,-0.3 -0.161 19.5-139.5 -51.0 133.3 -0.8 44.6 11.1 18 9 A L - 0 0 2 -16,-3.6 -16,-0.3 -17,-0.1 24,-0.2 -0.852 33.3-148.4 -96.6 98.7 2.3 42.8 9.7 19 10 A R E -B 41 0B 106 22,-1.6 22,-2.3 -2,-1.0 2,-0.3 -0.231 15.4-163.4 -71.7 156.6 4.7 43.6 12.5 20 11 A Q E +B 40 0B 51 20,-0.2 2,-0.3 30,-0.1 20,-0.2 -0.999 12.8 166.5-143.6 142.3 8.4 44.1 12.3 21 12 A M E -B 39 0B 35 18,-1.7 18,-3.6 -2,-0.3 2,-0.1 -0.951 38.3-102.5-147.5 158.6 11.2 44.2 14.9 22 13 A S E +B 38 0B 74 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.486 41.6 178.5 -85.4 159.4 15.0 44.0 14.5 23 14 A C E -B 37 0B 3 14,-2.1 13,-1.5 -2,-0.1 14,-1.5 -0.971 33.3-108.6-154.2 167.3 17.0 40.9 15.1 24 15 A A + 0 0 5 40,-0.9 40,-0.5 11,-0.3 11,-0.2 -0.815 41.3 173.7-106.1 94.4 20.4 39.3 15.1 25 16 A A + 0 0 0 -2,-0.8 8,-0.4 38,-0.2 2,-0.3 -0.441 4.7 153.1 -93.5 171.5 20.8 36.9 12.2 26 17 A G B -F 62 0C 4 36,-2.1 35,-2.7 6,-0.2 36,-2.5 -0.955 57.6 -92.4-174.0-174.5 23.9 35.1 11.2 27 18 A T S S+ 0 0 61 -2,-0.3 2,-0.3 33,-0.3 3,-0.1 0.726 113.4 36.3 -86.2 -27.2 25.3 32.0 9.4 28 19 A T S S- 0 0 61 1,-0.2 4,-0.4 34,-0.1 34,-0.2 -0.879 81.6-124.7-123.7 154.3 25.5 30.3 12.8 29 20 A Q S > S+ 0 0 83 -2,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.980 122.7 49.4 -58.8 -46.8 23.3 30.5 15.8 30 21 A T T 3 S+ 0 0 120 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.882 101.5 58.8 -54.9 -48.3 26.6 31.5 17.3 31 22 A A T 3 S+ 0 0 45 1,-0.1 2,-1.6 2,-0.1 -1,-0.3 0.481 78.1 108.6 -64.9 -1.9 27.5 34.1 14.7 32 23 A C < + 0 0 2 -3,-1.8 -6,-0.2 -4,-0.4 -1,-0.1 -0.617 40.1 128.3 -79.4 87.9 24.2 35.8 15.7 33 24 A T + 0 0 100 -2,-1.6 2,-0.2 -8,-0.4 -1,-0.2 0.771 59.7 19.3-106.1 -86.4 25.8 38.8 17.4 34 25 A D S S- 0 0 118 -3,-0.2 -1,-0.4 1,-0.1 2,-0.2 -0.513 92.8 -87.0 -88.7 160.1 24.6 42.3 16.4 35 26 A D + 0 0 96 -11,-0.2 -11,-0.3 -2,-0.2 -1,-0.1 -0.477 51.8 157.9 -68.1 130.3 21.3 43.0 14.6 36 27 A N + 0 0 31 -13,-1.5 20,-0.8 -2,-0.2 21,-0.3 0.424 56.3 36.9-133.0 -2.8 21.6 42.8 10.9 37 28 A A E -BC 23 55B 11 -14,-1.5 -14,-2.1 18,-0.2 2,-0.4 -0.895 69.7-115.5-145.2 172.3 18.0 42.2 9.7 38 29 A L E -BC 22 54B 48 16,-3.0 16,-2.9 -2,-0.3 2,-0.4 -0.941 25.9-144.2-115.2 134.1 14.3 43.0 10.2 39 30 A A E -BC 21 53B 0 -18,-3.6 -18,-1.7 -2,-0.4 2,-0.5 -0.846 3.7-153.0-104.1 132.7 11.8 40.3 11.3 40 31 A Y E +BC 20 52B 9 12,-3.0 11,-3.9 -2,-0.4 12,-0.9 -0.880 32.8 148.0-103.1 128.2 8.2 40.2 10.1 41 32 A Y E -BC 19 50B 18 -22,-2.3 -22,-1.6 -2,-0.5 2,-0.3 -0.910 38.1-143.9-150.9 178.1 5.7 38.6 12.5 42 33 A N E - C 0 49B 32 7,-1.3 7,-2.2 -2,-0.3 2,-0.7 -0.945 36.2-110.5-140.1 152.5 2.2 38.2 14.0 43 34 A N - 0 0 79 -2,-0.3 2,-0.2 5,-0.2 4,-0.2 -0.820 45.1-177.0 -89.6 120.6 1.4 37.3 17.5 44 35 A S - 0 0 51 2,-1.0 -3,-0.0 -2,-0.7 0, 0.0 -0.686 52.5 -68.5-112.2 169.6 -0.1 33.8 17.4 45 36 A K S S+ 0 0 234 -2,-0.2 2,-0.8 1,-0.2 -2,-0.0 0.755 139.7 48.8 -20.2 -48.6 -1.6 31.6 20.1 46 37 A G S S- 0 0 54 1,-0.0 -2,-1.0 2,-0.0 -1,-0.2 -0.901 116.9-108.9 -99.8 106.2 2.0 31.5 21.2 47 38 A G S S+ 0 0 39 -2,-0.8 21,-0.2 -4,-0.2 -4,-0.1 0.054 89.4 30.6 -36.4 139.4 3.0 35.2 21.2 48 39 A R - 0 0 104 1,-0.2 2,-0.3 20,-0.0 -5,-0.2 0.867 56.7-177.5 70.4 106.8 5.4 36.1 18.4 49 40 A F E -C 42 0B 77 -7,-2.2 -7,-1.3 -4,-0.0 -1,-0.2 -0.768 12.2-164.4-135.7 84.6 5.2 34.3 15.1 50 41 A V E +C 41 0B 16 -2,-0.3 -9,-0.3 -9,-0.3 3,-0.1 -0.356 13.0 176.4 -68.6 150.6 7.9 35.6 12.8 51 42 A L E + 0 0 3 -11,-3.9 49,-2.6 1,-0.4 2,-0.3 0.698 56.9 10.5-121.8 -50.9 7.6 34.7 9.1 52 43 A A E -CD 40 99B 0 -12,-0.9 -12,-3.0 47,-0.2 2,-0.4 -0.937 54.3-139.7-138.1 158.9 10.4 36.4 7.2 53 44 A L E -CD 39 98B 0 45,-1.9 45,-3.2 -2,-0.3 2,-0.5 -0.976 10.8-156.2-120.1 127.6 13.6 38.4 7.6 54 45 A L E +CD 38 97B 26 -16,-2.9 -16,-3.0 -2,-0.4 2,-0.3 -0.907 30.5 162.0-103.0 127.0 14.5 41.4 5.4 55 46 A S E -CD 37 96B 2 41,-2.3 41,-4.3 -2,-0.5 -18,-0.2 -0.998 53.5-134.6-152.2 155.2 18.3 41.9 5.3 56 47 A D S S+ 0 0 65 -20,-0.8 2,-0.3 -2,-0.3 38,-0.1 0.505 93.5 72.5 -79.9 -8.2 21.2 43.6 3.5 57 48 A H - 0 0 70 -21,-0.3 39,-0.2 39,-0.2 -2,-0.1 -0.799 55.2-170.0-108.9 153.3 23.1 40.3 3.8 58 49 A Q S S+ 0 0 109 -2,-0.3 -1,-0.1 23,-0.1 25,-0.0 0.150 79.0 83.8-120.6 10.3 22.4 37.1 1.8 59 50 A D + 0 0 78 2,-0.0 -1,-0.1 22,-0.0 -33,-0.0 0.703 64.8 113.2 -86.8 -23.1 24.8 35.3 4.1 60 51 A L + 0 0 8 1,-0.1 -33,-0.3 -35,-0.0 3,-0.1 0.068 24.0 157.8 -53.2 160.9 22.2 34.6 6.9 61 52 A K + 0 0 91 -35,-2.7 17,-3.0 1,-0.5 2,-0.3 0.357 64.5 35.3-156.9 -26.7 21.0 31.2 7.9 62 53 A W E -FG 26 77C 56 -36,-2.5 -36,-2.1 15,-0.2 -1,-0.5 -0.968 62.0-150.9-139.1 155.0 19.7 31.5 11.5 63 54 A A E - G 0 76C 0 13,-2.5 13,-1.3 -2,-0.3 2,-0.5 -0.922 8.7-140.5-128.9 152.5 17.9 34.2 13.5 64 55 A R E + G 0 75C 94 -40,-0.5 -40,-0.9 -2,-0.3 11,-0.2 -0.948 19.3 173.5-120.6 121.2 18.0 35.0 17.3 65 56 A F E - G 0 74C 23 9,-2.9 9,-3.6 -2,-0.5 2,-0.2 -0.964 26.5-136.8-129.9 117.3 15.0 36.1 19.3 66 57 A P E - G 0 73C 89 0, 0.0 7,-0.3 0, 0.0 -2,-0.0 -0.524 45.2 -91.8 -69.2 133.9 15.1 36.5 23.1 67 58 A K > - 0 0 71 5,-2.6 3,-1.8 -2,-0.2 2,-0.4 -0.108 24.7-121.7 -53.1 141.2 11.9 35.0 24.6 68 59 A S T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -21,-0.2 5,-0.1 0.057 113.8 53.0 -70.1 25.7 8.9 37.2 25.1 69 60 A D T 3 S- 0 0 116 -2,-0.4 -1,-0.3 3,-0.2 -2,-0.1 0.425 112.4-115.0-131.7 -20.8 9.1 36.3 28.8 70 61 A G S < S+ 0 0 72 -3,-1.8 -2,-0.1 2,-0.2 3,-0.1 0.594 86.3 119.5 86.0 13.7 12.7 37.3 29.3 71 62 A T S S- 0 0 99 1,-0.1 2,-0.1 -5,-0.0 -3,-0.0 0.990 79.5 -50.8 -71.7 -73.8 13.1 33.5 30.0 72 63 A G - 0 0 30 -7,-0.1 -5,-2.6 0, 0.0 2,-0.3 -0.338 64.7 -77.2-138.5-139.0 15.6 32.5 27.3 73 64 A T E -G 66 0C 55 -7,-0.3 2,-0.4 -2,-0.1 -9,-0.0 -0.963 23.5-142.4-139.8 151.8 16.1 32.8 23.6 74 65 A I E -G 65 0C 95 -9,-3.6 -9,-2.9 -2,-0.3 2,-0.7 -0.976 8.1-158.0-120.8 129.7 14.7 31.1 20.4 75 66 A Y E -G 64 0C 76 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.916 12.9-168.1-109.2 107.8 16.8 30.3 17.4 76 67 A T E -G 63 0C 35 -13,-1.3 -13,-2.5 -2,-0.7 2,-0.4 -0.726 18.4-124.9 -97.3 145.6 14.8 30.0 14.2 77 68 A E E -G 62 0C 47 -2,-0.3 24,-2.7 -15,-0.2 -15,-0.2 -0.754 22.4-138.8 -94.1 137.3 16.3 28.5 11.0 78 69 A L B -H 100 0D 9 -17,-3.0 22,-0.2 -2,-0.4 -26,-0.1 -0.582 5.4-134.0 -93.7 152.4 16.1 30.5 7.7 79 70 A E - 0 0 42 20,-1.2 22,-0.1 1,-0.2 -1,-0.1 -0.282 51.3 -64.4 -89.5 178.6 15.4 29.4 4.2 80 71 A P - 0 0 100 0, 0.0 19,-0.7 0, 0.0 -1,-0.2 -0.302 68.1 -92.7 -64.0 156.0 17.5 30.4 1.2 81 72 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.136 23.2-146.3 -67.9 163.2 17.4 34.2 0.4 82 73 A C - 0 0 56 2,-0.1 15,-2.3 15,-0.0 2,-0.2 -0.896 19.1-153.2-134.3 98.8 15.2 36.1 -2.0 83 74 A R E +E 96 0B 162 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.480 29.4 143.2 -78.2 142.4 16.9 39.0 -3.6 84 75 A F E -E 95 0B 46 11,-1.5 11,-2.1 -2,-0.2 2,-0.4 -0.918 35.8-129.9-164.4 163.4 15.1 42.1 -4.9 85 76 A V E -E 94 0B 79 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.974 18.7-175.9-131.3 141.6 16.1 45.8 -4.9 86 77 A T E -E 93 0B 24 7,-1.7 7,-2.0 -2,-0.4 34,-0.1 -0.954 38.3 -91.1-133.3 153.2 14.3 48.9 -3.7 87 78 A D + 0 0 94 -2,-0.3 34,-0.0 32,-0.3 -2,-0.0 -0.399 50.0 174.3 -62.9 134.1 15.1 52.6 -3.8 88 79 A T > - 0 0 41 -2,-0.1 3,-1.5 0, 0.0 -1,-0.0 -0.998 38.3-100.1-143.3 143.1 17.0 53.8 -0.7 89 80 A P T 3 S+ 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.301 113.1 32.1 -59.4 152.6 18.6 57.1 0.3 90 81 A K T 3 S- 0 0 225 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.606 139.7 -36.0 75.3 9.9 22.3 56.9 -0.3 91 82 A G S < S- 0 0 31 -3,-1.5 2,-0.1 2,-0.0 0, 0.0 -0.232 78.1 -74.4 120.3 150.5 21.7 54.5 -3.2 92 83 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.483 53.2-152.3 -75.0 152.8 19.3 51.7 -4.2 93 84 A K E - E 0 86B 80 -7,-2.0 -7,-1.7 -2,-0.1 2,-0.8 -0.914 19.8-126.6-131.4 154.3 20.0 48.4 -2.3 94 85 A V E - E 0 85B 48 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.900 32.9-169.4 -98.0 112.3 19.6 44.6 -2.8 95 86 A K E - E 0 84B 45 -11,-2.1 -11,-1.5 -2,-0.8 2,-0.5 -0.789 13.7-137.1 -99.6 146.1 17.7 43.5 0.2 96 87 A Y E -DE 55 83B 41 -41,-4.3 -41,-2.3 -2,-0.3 2,-0.6 -0.922 8.0-148.8-110.0 131.4 17.4 39.7 0.8 97 88 A L E -D 54 0B 7 -15,-2.3 2,-0.6 -2,-0.5 -43,-0.2 -0.886 11.9-164.5-103.0 113.5 14.1 38.2 1.9 98 89 A Y E -D 53 0B 0 -45,-3.2 -45,-1.9 -2,-0.6 2,-0.6 -0.839 6.3-153.3-101.6 114.2 14.5 35.1 4.1 99 90 A F E -D 52 0B 3 -19,-0.7 -20,-1.2 -2,-0.6 -47,-0.2 -0.742 29.3-112.7 -87.3 120.9 11.5 32.9 4.6 100 91 A I B > -H 78 0D 20 -49,-2.6 3,-2.0 -2,-0.6 -22,-0.2 -0.125 46.8 -88.4 -46.4 142.5 11.6 31.0 7.9 101 92 A K T 3 S+ 0 0 132 -24,-2.7 -1,-0.1 1,-0.3 3,-0.1 -0.288 113.6 17.2 -58.7 139.9 12.0 27.3 7.2 102 93 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.497 83.9 170.1 77.0 4.5 8.7 25.5 6.9 103 94 A L < - 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