==== 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 20-MAY-06 2H2Z . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR H.YANG,X.XUE,W.SHEN,Q.ZHAO,Z.RAO . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 62.7 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 . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 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 0.000 360.0 360.0 360.0 173.6 43.0 -13.1 105.5 2 2 A G - 0 0 45 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.190 360.0-131.4 95.4 165.1 39.5 -12.0 104.5 3 3 A F + 0 0 29 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.823 29.2 167.9-159.6 116.2 36.3 -12.1 106.7 4 4 A R - 0 0 195 -2,-0.3 2,-1.0 295,-0.0 295,-0.0 -0.864 48.4 -99.5-128.3 159.1 33.1 -13.6 105.5 5 5 A K - 0 0 99 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.750 56.2-163.5 -77.9 108.4 29.7 -14.5 107.0 6 6 A M - 0 0 78 -2,-1.0 2,-0.2 120,-0.1 120,-0.1 -0.868 13.4-156.4-108.5 127.7 30.6 -18.2 107.2 7 7 A A - 0 0 27 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.532 29.2-102.7 -92.4 163.2 28.2 -21.1 107.7 8 8 A F - 0 0 18 142,-0.2 -1,-0.1 -2,-0.2 2,-0.1 -0.526 52.0 -85.2 -80.4 153.3 29.1 -24.5 109.1 9 9 A P - 0 0 101 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.427 42.0-151.1 -58.3 131.3 29.5 -27.4 106.5 10 10 A S >> + 0 0 17 1,-0.2 4,-2.3 2,-0.1 3,-1.3 0.494 65.2 102.3 -89.9 -4.4 25.9 -28.6 106.1 11 11 A G H 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.840 78.3 54.4 -48.7 -45.2 26.4 -32.3 105.2 12 12 A K H 34 S+ 0 0 83 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.812 114.9 42.0 -62.7 -26.9 25.6 -33.7 108.6 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.5 2,-0.1 4,-0.5 0.855 104.2 63.5 -87.2 -38.1 22.3 -31.9 108.6 14 14 A E H >< S+ 0 0 88 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.878 97.5 59.0 -52.0 -41.7 21.4 -32.6 104.9 15 15 A G T 3< S+ 0 0 27 -4,-1.7 -1,-0.3 1,-0.3 82,-0.3 0.503 104.2 52.7 -69.3 -2.3 21.3 -36.3 105.7 16 16 A C T < S+ 0 0 0 -3,-2.5 15,-3.4 81,-0.1 2,-0.4 0.461 82.2 107.7-109.8 -4.5 18.5 -35.6 108.3 17 17 A M E < +A 30 0A 11 -3,-1.4 2,-0.3 -4,-0.5 54,-0.2 -0.608 39.4 163.0 -84.8 132.2 16.1 -33.7 106.1 18 18 A V E -A 29 0A 1 11,-2.4 11,-2.6 -2,-0.4 2,-0.4 -0.830 35.7-109.5-134.6 175.3 12.8 -35.4 105.1 19 19 A Q E -AB 28 69A 34 50,-2.6 50,-2.4 -2,-0.3 2,-0.4 -0.878 25.4-164.3-110.4 137.9 9.4 -34.3 103.7 20 20 A V E -AB 27 68A 0 7,-2.8 7,-2.2 -2,-0.4 2,-0.4 -0.992 6.4-174.7-127.0 127.1 6.2 -34.6 105.8 21 21 A T E +AB 26 67A 21 46,-2.6 46,-2.6 -2,-0.4 2,-0.4 -0.970 11.5 172.9-124.5 136.9 2.8 -34.4 104.3 22 22 A C E > S-AB 25 66A 5 3,-2.4 3,-2.1 -2,-0.4 2,-0.2 -0.955 71.6 -39.9-139.0 116.1 -0.6 -34.3 106.0 23 23 A G T 3 S- 0 0 63 42,-0.5 20,-0.0 -2,-0.4 21,-0.0 -0.447 124.9 -25.0 64.6-130.9 -3.6 -33.7 103.7 24 24 A T T 3 S+ 0 0 132 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.322 117.7 98.6 -98.3 8.0 -2.6 -31.1 101.2 25 25 A T E < +A 22 0A 31 -3,-2.1 -3,-2.4 17,-0.3 2,-0.4 -0.844 47.4 177.8-100.9 129.0 0.1 -29.5 103.4 26 26 A T E +A 21 0A 45 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.986 11.6 145.6-129.6 139.1 3.8 -30.5 102.8 27 27 A L E -A 20 0A 4 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.2 -0.868 46.1 -71.8-154.5-174.7 6.8 -29.2 104.7 28 28 A N E -A 19 0A 0 117,-2.8 2,-0.3 -2,-0.3 -9,-0.2 -0.616 37.0-168.5 -94.3 153.3 10.2 -30.3 106.0 29 29 A G E -A 18 0A 0 -11,-2.6 -11,-2.4 -2,-0.2 2,-0.5 -0.905 20.4-127.4-132.8 160.5 11.0 -32.6 108.9 30 30 A L E -AC 17 37A 0 7,-2.6 7,-2.7 -2,-0.3 2,-0.7 -0.957 21.4-156.0-113.3 118.8 14.2 -33.5 110.8 31 31 A W E + C 0 36A 21 -15,-3.4 2,-0.5 -2,-0.5 5,-0.2 -0.844 20.4 165.5-102.5 108.2 14.9 -37.2 111.1 32 32 A L E > - C 0 35A 1 3,-2.4 3,-2.1 -2,-0.7 -2,-0.1 -0.990 65.0 -43.2-124.4 123.9 17.1 -38.3 114.0 33 33 A D T 3 S- 0 0 74 -2,-0.5 62,-2.5 62,-0.4 64,-0.1 -0.380 125.0 -21.6 55.4-128.5 17.2 -41.9 115.0 34 34 A D T 3 S+ 0 0 56 60,-0.3 57,-2.4 58,-0.1 2,-0.4 0.136 121.8 84.4 -99.7 23.7 13.6 -43.2 114.9 35 35 A T E < -CD 32 90A 17 -3,-2.1 -3,-2.4 55,-0.2 2,-0.5 -0.959 56.1-157.3-128.4 143.2 11.9 -39.8 115.2 36 36 A V E -CD 31 89A 0 53,-2.2 53,-3.1 -2,-0.4 2,-0.4 -0.972 13.6-158.4-117.2 125.2 10.9 -37.1 112.7 37 37 A Y E +CD 30 88A 9 -7,-2.7 -7,-2.6 -2,-0.5 51,-0.2 -0.881 23.5 151.9-104.6 136.2 10.4 -33.6 114.1 38 38 A C E - D 0 87A 0 49,-1.8 49,-2.8 -2,-0.4 -9,-0.1 -0.981 51.4 -76.0-156.0 163.3 8.3 -31.0 112.2 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.391 38.4-133.6 -61.0 138.9 6.2 -27.9 112.8 40 40 A R G > S+ 0 0 45 45,-2.6 3,-1.9 1,-0.3 46,-0.1 0.726 97.5 79.2 -70.2 -16.0 2.8 -29.0 114.2 41 41 A H G > + 0 0 21 44,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.498 65.0 90.9 -71.4 3.7 1.1 -26.7 111.7 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -20,-0.3 0.738 83.2 58.3 -65.7 -19.7 1.6 -29.4 109.1 43 43 A I G < S+ 0 0 10 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.433 95.8 85.1 -89.0 0.9 -1.8 -30.6 110.2 44 44 A C < - 0 0 4 -3,-1.8 2,-0.2 -4,-0.1 -22,-0.1 -0.802 63.7-150.1-106.9 146.7 -3.4 -27.2 109.4 45 45 A T > - 0 0 58 -2,-0.3 4,-2.0 1,-0.0 3,-0.1 -0.487 47.2 -91.6 -95.8 175.9 -4.8 -25.9 106.1 46 46 A A T 4 S+ 0 0 86 1,-0.2 4,-0.4 2,-0.2 143,-0.1 0.872 130.6 51.8 -58.4 -35.6 -4.6 -22.2 105.4 47 47 A E T >4 S+ 0 0 163 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.867 105.1 52.5 -69.2 -39.7 -8.1 -22.0 107.0 48 48 A D G >4 S+ 0 0 50 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.900 98.1 68.5 -63.3 -38.6 -7.2 -23.8 110.2 49 49 A M G 3< S+ 0 0 24 -4,-2.0 140,-3.0 1,-0.3 -1,-0.2 0.687 85.3 69.3 -54.5 -21.9 -4.3 -21.4 110.7 50 50 A L G < S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.905 130.6 -9.7 -65.0 -40.0 -6.7 -18.5 111.3 51 51 A N S < S+ 0 0 121 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 -0.386 84.1 179.8-158.1 67.3 -7.8 -20.1 114.7 52 52 A P - 0 0 17 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.498 20.6-159.1 -79.0 137.2 -6.4 -23.6 115.1 53 53 A N > - 0 0 93 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.933 12.2-168.2-110.0 104.4 -7.0 -25.8 118.1 54 54 A Y H > S+ 0 0 13 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.822 81.2 56.2 -65.0 -32.6 -4.1 -28.2 117.8 55 55 A E H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 113.8 41.9 -63.4 -44.4 -5.4 -30.7 120.4 56 56 A D H > S+ 0 0 74 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.848 115.5 48.5 -72.5 -36.6 -8.6 -31.0 118.5 57 57 A L H < S+ 0 0 30 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.881 113.7 47.4 -71.7 -35.6 -7.1 -31.1 115.1 58 58 A L H >< S+ 0 0 17 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.865 100.6 61.8 -75.1 -36.1 -4.5 -33.7 116.1 59 59 A I H 3< S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 98.7 61.3 -63.6 -21.6 -6.8 -36.1 117.8 60 60 A R T 3< S+ 0 0 174 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.3 0.423 93.7 83.6 -82.6 -1.5 -8.6 -36.5 114.5 61 61 A K < - 0 0 66 -3,-2.3 2,-0.2 2,-0.0 -18,-0.0 -0.773 60.3-159.6-104.3 150.8 -5.4 -37.9 112.9 62 62 A S > - 0 0 36 -2,-0.3 3,-1.2 17,-0.0 4,-0.3 -0.576 41.6 -94.9-112.0 179.3 -4.1 -41.4 112.9 63 63 A N G > S+ 0 0 49 1,-0.3 3,-1.4 -2,-0.2 14,-0.2 0.870 125.8 55.5 -65.1 -34.5 -0.5 -42.5 112.2 64 64 A H G 3 S+ 0 0 172 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.470 85.8 80.0 -79.8 1.8 -1.3 -43.1 108.6 65 65 A S G < S+ 0 0 39 -3,-1.2 -42,-0.5 -43,-0.1 2,-0.5 0.695 88.4 71.7 -74.3 -18.5 -2.6 -39.5 108.2 66 66 A F E < -B 22 0A 8 -3,-1.4 2,-0.5 -4,-0.3 11,-0.4 -0.864 65.5-165.0-106.9 132.0 1.1 -38.6 107.9 67 67 A L E -B 21 0A 62 -46,-2.6 -46,-2.6 -2,-0.5 2,-0.5 -0.960 9.2-171.2-113.1 119.4 3.3 -39.4 104.9 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.4 -2,-0.5 2,-0.5 -0.958 1.6-172.9-116.5 126.7 7.1 -39.1 105.5 69 69 A Q E -BE 19 74A 60 -50,-2.4 -50,-2.6 -2,-0.5 2,-0.7 -0.970 12.3-169.5-124.7 123.2 9.5 -39.4 102.7 70 70 A A E > S- E 0 73A 17 3,-3.0 3,-2.3 -2,-0.5 2,-0.4 -0.916 72.1 -54.5-108.6 103.5 13.3 -39.5 103.0 71 71 A G T 3 S- 0 0 68 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.513 122.0 -21.2 65.2-120.8 14.6 -39.0 99.4 72 72 A N T 3 S+ 0 0 174 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.498 120.8 95.8 -97.0 -6.7 12.8 -41.8 97.4 73 73 A V E < -E 70 0A 91 -3,-2.3 -3,-3.0 1,-0.0 2,-0.5 -0.709 66.8-141.0 -92.5 133.7 12.0 -43.9 100.5 74 74 A Q E -E 69 0A 130 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.781 15.6-151.0 -91.3 129.9 8.7 -43.8 102.3 75 75 A L E -E 68 0A 3 -7,-3.4 -7,-0.9 -2,-0.5 2,-0.5 -0.849 12.7-129.8-101.8 136.1 9.0 -44.0 106.1 76 76 A R - 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