==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 14-JUL-06 2HOB . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR X.XUE,H.YANG,W.SHEN,Q.ZHAO,J.LI,Z.RAO . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 22.2 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 31 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 2 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 3 0 3 2 1 3 0 1 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 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 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 S 0 0 166 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 173.3 43.8 -13.0 105.3 2 2 A G - 0 0 43 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.226 360.0-126.5 99.9 164.4 40.2 -12.0 104.4 3 3 A F + 0 0 31 -2,-0.1 2,-0.3 279,-0.1 -1,-0.1 -0.888 28.2 169.9-155.2 122.8 37.0 -12.1 106.3 4 4 A R - 0 0 198 -2,-0.3 2,-1.2 2,-0.0 295,-0.0 -0.938 46.8-104.4-133.4 152.0 33.7 -13.7 105.1 5 5 A K - 0 0 94 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.679 55.8-165.9 -71.2 103.2 30.4 -14.6 106.7 6 6 A M - 0 0 80 -2,-1.2 2,-0.2 120,-0.1 120,-0.1 -0.858 13.8-155.5-106.7 131.2 31.2 -18.3 106.7 7 7 A A - 0 0 25 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.573 30.2 -99.7 -91.9 161.8 28.8 -21.1 107.3 8 8 A F - 0 0 19 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.494 51.6 -86.5 -77.5 150.9 29.7 -24.5 108.7 9 9 A P - 0 0 109 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.370 42.6-150.1 -57.1 134.6 30.1 -27.4 106.1 10 10 A S >> + 0 0 17 1,-0.2 4,-2.6 2,-0.1 3,-1.5 0.486 65.3 101.9 -93.1 -3.8 26.5 -28.7 105.7 11 11 A G H 3> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.850 77.9 55.6 -48.6 -48.0 27.0 -32.3 104.8 12 12 A K H 34 S+ 0 0 85 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.768 116.0 40.6 -58.2 -27.3 26.2 -33.8 108.3 13 13 A V H X4 S+ 0 0 0 -3,-1.5 3,-2.7 2,-0.1 4,-0.4 0.826 103.7 64.3 -89.9 -38.1 22.9 -31.9 108.1 14 14 A E H >< S+ 0 0 91 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.878 97.8 60.1 -53.4 -36.5 22.0 -32.6 104.4 15 15 A G T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.2 82,-0.3 0.497 102.9 51.5 -71.5 -2.0 21.9 -36.3 105.3 16 16 A C T < S+ 0 0 0 -3,-2.7 15,-3.0 81,-0.1 2,-0.4 0.365 82.3 108.9-113.4 2.9 19.1 -35.6 107.8 17 17 A M E < +A 30 0A 11 -3,-1.3 2,-0.3 -4,-0.4 54,-0.2 -0.660 39.0 161.6 -88.4 134.8 16.7 -33.7 105.6 18 18 A V E -A 29 0A 1 11,-2.2 11,-2.4 -2,-0.4 2,-0.4 -0.836 36.8-110.2-138.2 173.6 13.5 -35.4 104.6 19 19 A Q E -AB 28 69A 35 50,-2.3 50,-2.2 -2,-0.3 2,-0.4 -0.898 25.5-162.2-109.7 136.6 10.1 -34.3 103.2 20 20 A V E -AB 27 68A 0 7,-3.2 7,-2.1 -2,-0.4 2,-0.4 -0.986 7.2-171.8-123.1 129.7 6.9 -34.6 105.3 21 21 A T E +AB 26 67A 17 46,-3.2 46,-2.8 -2,-0.4 2,-0.4 -0.963 14.0 174.4-125.1 137.3 3.5 -34.6 103.8 22 22 A C E > S-AB 25 66A 5 3,-2.5 3,-1.8 -2,-0.4 2,-0.3 -0.919 72.1 -43.9-138.6 107.9 0.1 -34.4 105.4 23 23 A G T 3 S- 0 0 64 42,-0.5 20,-0.0 -2,-0.4 22,-0.0 -0.546 122.7 -25.2 71.5-125.9 -2.8 -34.0 103.0 24 24 A T T 3 S+ 0 0 138 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.370 117.3 97.0-103.1 4.3 -1.8 -31.5 100.4 25 25 A T E < +A 22 0A 28 -3,-1.8 -3,-2.5 17,-0.3 2,-0.4 -0.849 50.7 179.9 -97.3 123.2 0.7 -29.6 102.7 26 26 A T E +A 21 0A 45 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.971 10.8 147.0-124.9 139.9 4.4 -30.6 102.2 27 27 A L E -A 20 0A 6 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.2 -0.860 44.9 -74.8-153.7-175.5 7.4 -29.3 104.1 28 28 A N E -A 19 0A 0 117,-2.3 2,-0.3 -2,-0.2 -9,-0.2 -0.628 37.7-172.8 -94.6 150.5 10.9 -30.4 105.4 29 29 A G E -A 18 0A 0 -11,-2.4 -11,-2.2 -2,-0.2 2,-0.5 -0.906 23.3-121.5-136.4 165.1 11.6 -32.5 108.5 30 30 A L E -AC 17 37A 0 7,-2.4 7,-2.6 -2,-0.3 2,-0.7 -0.960 20.8-155.8-114.9 120.1 14.8 -33.5 110.3 31 31 A W E + C 0 36A 21 -15,-3.0 2,-0.5 -2,-0.5 5,-0.2 -0.856 21.1 164.9-101.9 106.0 15.5 -37.2 110.6 32 32 A L E > - C 0 35A 1 3,-2.0 3,-1.9 -2,-0.7 2,-0.1 -0.991 65.7 -43.2-123.2 124.2 17.7 -38.2 113.5 33 33 A D T 3 S- 0 0 75 -2,-0.5 62,-2.9 62,-0.4 64,-0.1 -0.409 125.3 -21.1 55.5-123.1 17.8 -41.9 114.6 34 34 A D T 3 S+ 0 0 60 60,-0.3 57,-2.0 -2,-0.1 2,-0.3 0.039 121.2 84.0-105.8 27.9 14.2 -43.1 114.4 35 35 A T E < -CD 32 90A 18 -3,-1.9 -3,-2.0 55,-0.2 2,-0.5 -0.955 55.9-156.1-129.8 148.0 12.4 -39.7 114.7 36 36 A V E -CD 31 89A 0 53,-2.2 53,-3.3 -2,-0.3 2,-0.4 -0.994 13.6-158.9-122.9 125.0 11.4 -37.0 112.2 37 37 A Y E +CD 30 88A 9 -7,-2.6 -7,-2.4 -2,-0.5 51,-0.2 -0.898 23.1 152.8-102.6 135.1 10.9 -33.5 113.6 38 38 A C E - D 0 87A 0 49,-1.7 49,-2.5 -2,-0.4 -9,-0.1 -0.983 50.7 -75.8-156.3 162.3 8.9 -31.0 111.7 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.6 0, 0.0 47,-0.3 -0.392 38.5-134.0 -59.4 134.7 6.7 -27.9 112.1 40 40 A R G > S+ 0 0 38 45,-2.7 3,-2.1 1,-0.3 46,-0.1 0.746 96.7 79.2 -66.8 -18.1 3.3 -28.9 113.5 41 41 A H G > + 0 0 24 44,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.542 66.4 88.6 -69.6 -0.6 1.6 -26.6 111.0 42 42 A V G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 -17,-0.3 0.728 81.9 60.7 -64.2 -20.5 2.2 -29.3 108.4 43 43 A I G < S+ 0 0 6 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.3 0.389 90.5 93.5 -87.9 6.5 -1.2 -30.6 109.7 44 44 A C < - 0 0 1 -3,-2.0 2,-0.2 -4,-0.1 -22,-0.1 -0.746 61.6-152.9-100.2 146.0 -2.9 -27.4 108.6 45 45 A T >> - 0 0 69 -2,-0.3 3,-1.6 -22,-0.0 4,-1.1 -0.633 48.5 -91.0 -99.4 169.2 -4.7 -26.7 105.3 46 46 A A T 34 S+ 0 0 83 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.813 129.7 54.7 -52.8 -33.1 -4.7 -23.0 104.3 47 47 A E T 34 S+ 0 0 175 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.715 102.6 56.4 -74.7 -20.1 -8.0 -22.5 106.1 48 48 A D T <4 S+ 0 0 41 -3,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.754 89.3 81.3 -80.5 -22.4 -6.6 -24.0 109.4 49 49 A M S < S+ 0 0 39 -4,-1.1 140,-3.2 -3,-0.3 -1,-0.2 0.662 83.8 53.6 -60.4 -24.0 -3.9 -21.4 109.4 50 50 A L S S+ 0 0 113 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.1 0.904 131.8 2.8 -80.9 -39.6 -5.7 -18.4 110.9 51 51 A N S S+ 0 0 131 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 -0.383 81.9 171.3-144.7 62.0 -7.0 -20.0 114.0 52 52 A P - 0 0 4 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.471 25.2-154.8 -76.4 139.8 -5.8 -23.5 114.2 53 53 A N > - 0 0 92 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.933 13.1-169.2-109.1 103.7 -6.4 -25.6 117.3 54 54 A Y H > S+ 0 0 8 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.819 81.6 56.7 -65.4 -30.8 -3.5 -28.0 116.9 55 55 A E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 113.9 41.2 -64.9 -44.4 -4.6 -30.4 119.7 56 56 A D H > S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.903 115.3 48.8 -71.0 -43.4 -7.9 -30.8 117.9 57 57 A L H < S+ 0 0 26 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.868 113.0 49.4 -64.6 -36.8 -6.5 -31.0 114.4 58 58 A L H >< S+ 0 0 19 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.2 0.878 99.1 61.1 -72.7 -38.9 -4.0 -33.6 115.5 59 59 A I H 3< S+ 0 0 144 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 100.1 60.8 -61.6 -22.8 -6.3 -36.0 117.3 60 60 A R T 3< S+ 0 0 175 -4,-0.8 2,-0.3 -3,-0.3 -1,-0.3 0.376 94.1 83.0 -81.8 -0.6 -8.0 -36.4 113.9 61 61 A K < - 0 0 66 -3,-2.5 2,-0.2 2,-0.0 -18,-0.0 -0.783 61.4-158.8-105.8 153.5 -4.8 -37.7 112.3 62 62 A S > - 0 0 35 -2,-0.3 3,-1.5 1,-0.0 4,-0.3 -0.658 40.6 -95.2-115.5 176.5 -3.4 -41.3 112.3 63 63 A N G > S+ 0 0 50 1,-0.3 3,-1.6 -2,-0.2 14,-0.2 0.913 127.0 52.8 -59.3 -40.1 0.1 -42.4 111.8 64 64 A H G 3 S+ 0 0 174 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.455 86.6 81.3 -76.9 1.2 -0.6 -43.1 108.1 65 65 A S G < S+ 0 0 39 -3,-1.5 -42,-0.5 -43,-0.1 2,-0.5 0.722 88.7 72.3 -71.9 -17.4 -2.0 -39.5 107.8 66 66 A F E < -B 22 0A 9 -3,-1.6 2,-0.5 -4,-0.3 11,-0.4 -0.863 65.1-164.6-108.5 128.3 1.8 -38.7 107.4 67 67 A L E -B 21 0A 83 -46,-2.8 -46,-3.2 -2,-0.5 2,-0.5 -0.935 8.5-171.5-108.4 124.8 3.9 -39.4 104.5 68 68 A V E -BE 20 75A 0 7,-0.8 7,-3.9 -2,-0.5 2,-0.5 -0.975 1.3-173.1-121.2 118.7 7.7 -39.2 105.1 69 69 A Q E -BE 19 74A 55 -50,-2.2 -50,-2.3 -2,-0.5 2,-0.7 -0.948 9.4-172.8-116.1 121.6 10.1 -39.4 102.1 70 70 A A E > S- E 0 73A 15 3,-3.1 3,-1.9 -2,-0.5 2,-0.5 -0.917 74.0 -45.7-111.6 103.7 13.9 -39.6 102.5 71 71 A G T 3 S- 0 0 65 -2,-0.7 -52,-0.1 1,-0.3 -2,-0.0 -0.615 122.1 -30.4 72.1-122.4 15.4 -39.3 99.0 72 72 A N T 3 S+ 0 0 154 -2,-0.5 2,-0.5 2,-0.1 -1,-0.3 0.125 120.3 104.8-114.0 19.2 13.2 -41.7 96.9 73 73 A V E < -E 70 0A 90 -3,-1.9 -3,-3.1 0, 0.0 2,-0.4 -0.870 64.9-141.7-103.6 126.9 12.7 -43.9 100.0 74 74 A Q E -E 69 0A 91 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.705 14.5-153.6 -86.1 133.7 9.3 -43.9 101.8 75 75 A L E -E 68 0A 11 -7,-3.9 -7,-0.8 -2,-0.4 2,-0.6 -0.820 12.7-129.3-104.1 150.0 9.6 -44.1 105.5 76 76 A R - 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