==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-07 2Z94 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.C.LEE,A.H.WANG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14666.0 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 0 163 0, 0.0 213,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.2 -23.0 5.6 24.2 2 2 A G - 0 0 47 212,-0.1 2,-0.3 1,-0.1 281,-0.0 0.059 360.0-131.8 89.5 161.4 -19.4 6.4 24.6 3 3 A F + 0 0 22 279,-0.1 2,-0.3 297,-0.1 -1,-0.1 -0.876 28.0 171.6-155.9 118.9 -16.3 6.2 22.5 4 4 A R - 0 0 177 -2,-0.3 2,-1.3 2,-0.0 295,-0.0 -0.920 44.4-108.5-130.2 156.9 -13.0 4.7 23.7 5 5 A K - 0 0 87 -2,-0.3 2,-0.4 122,-0.1 122,-0.2 -0.711 55.6-175.7 -77.5 98.9 -9.7 3.8 22.2 6 6 A M - 0 0 78 -2,-1.3 2,-0.2 120,-0.1 120,-0.1 -0.846 17.9-148.7-108.7 147.2 -10.3 0.1 22.4 7 7 A A - 0 0 28 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.539 31.0 -95.1 -97.6 165.2 -8.0 -2.8 21.6 8 8 A F - 0 0 18 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.521 54.3 -87.1 -77.3 150.6 -8.9 -6.2 20.2 9 9 A P - 0 0 104 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.392 42.7-150.0 -56.2 136.3 -9.4 -9.0 22.8 10 10 A S >> + 0 0 17 1,-0.2 4,-2.3 2,-0.1 3,-1.5 0.496 64.8 102.5 -94.8 -3.4 -5.8 -10.3 23.2 11 11 A G H 3> S+ 0 0 44 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.850 77.9 55.3 -47.8 -48.7 -6.3 -14.0 24.1 12 12 A K H 34 S+ 0 0 81 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.787 115.0 41.4 -58.6 -28.3 -5.5 -15.4 20.7 13 13 A V H X4 S+ 0 0 0 -3,-1.5 3,-2.3 2,-0.1 4,-0.5 0.828 104.6 62.9 -89.1 -35.4 -2.2 -13.6 20.8 14 14 A E H >< S+ 0 0 90 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.891 96.9 60.8 -55.1 -40.3 -1.3 -14.3 24.5 15 15 A G T 3< S+ 0 0 21 -4,-1.9 82,-0.3 1,-0.3 -1,-0.3 0.456 104.3 51.7 -66.7 0.5 -1.3 -18.1 23.6 16 16 A C T < S+ 0 0 1 -3,-2.3 15,-3.4 81,-0.1 2,-0.4 0.433 82.1 108.6-114.7 -4.1 1.6 -17.3 21.1 17 17 A M E < +A 30 0A 12 -3,-1.5 54,-0.3 -4,-0.5 2,-0.3 -0.614 38.6 160.2 -84.7 133.1 4.0 -15.4 23.3 18 18 A V E -A 29 0A 2 11,-2.4 11,-3.2 -2,-0.4 2,-0.4 -0.834 36.8-108.0-137.6 175.0 7.3 -17.1 24.4 19 19 A Q E -AB 28 69A 31 50,-2.4 50,-2.3 -2,-0.3 2,-0.4 -0.863 24.9-164.6-109.2 139.2 10.7 -16.1 25.7 20 20 A V E -AB 27 68A 0 7,-2.9 7,-2.2 -2,-0.4 2,-0.4 -0.996 6.8-174.1-127.9 128.1 13.9 -16.3 23.6 21 21 A T E +AB 26 67A 21 46,-2.6 46,-2.8 -2,-0.4 2,-0.4 -0.968 11.6 174.2-126.2 135.7 17.3 -16.2 25.2 22 22 A C E > S-AB 25 66A 5 3,-2.2 3,-2.3 -2,-0.4 44,-0.1 -0.975 70.9 -40.4-137.2 120.7 20.7 -16.1 23.5 23 23 A G T 3 S- 0 0 68 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.389 125.7 -22.2 61.8-126.3 23.7 -15.6 25.7 24 24 A T T 3 S+ 0 0 127 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.408 117.0 97.1 -96.9 0.8 22.7 -13.0 28.4 25 25 A T E < -A 22 0A 40 -3,-2.3 -3,-2.2 17,-0.3 2,-0.4 -0.791 47.0-179.5 -99.6 131.2 19.9 -11.4 26.3 26 26 A T E +A 21 0A 49 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.996 13.8 147.3-127.6 134.0 16.3 -12.4 26.8 27 27 A L E -A 20 0A 5 -7,-2.2 -7,-2.9 -2,-0.4 2,-0.2 -0.826 46.0 -75.7-147.5-175.4 13.3 -10.9 24.9 28 28 A N E -A 19 0A 0 117,-2.4 2,-0.3 -2,-0.2 -9,-0.3 -0.615 36.7-165.9 -94.1 152.4 10.0 -12.0 23.6 29 29 A G E -A 18 0A 0 -11,-3.2 -11,-2.4 -2,-0.2 2,-0.5 -0.905 19.5-127.4-131.7 161.8 9.1 -14.3 20.7 30 30 A L E -AC 17 37A 0 7,-2.5 7,-2.5 -2,-0.3 2,-0.7 -0.953 21.3-156.2-112.0 117.9 6.0 -15.1 18.7 31 31 A W E + C 0 36A 21 -15,-3.4 2,-0.4 -2,-0.5 5,-0.2 -0.847 20.4 165.5-103.5 105.7 5.3 -18.8 18.3 32 32 A L E > - C 0 35A 1 3,-2.2 3,-2.2 -2,-0.7 2,-0.1 -0.987 65.0 -42.1-121.6 123.8 3.1 -19.8 15.3 33 33 A D T 3 S- 0 0 68 -2,-0.4 62,-2.7 62,-0.3 64,-0.1 -0.405 125.7 -23.5 55.9-124.8 2.9 -23.5 14.2 34 34 A D T 3 S+ 0 0 60 60,-0.3 57,-2.4 -2,-0.1 2,-0.3 0.089 122.1 87.5-104.5 27.9 6.5 -24.7 14.5 35 35 A T E < -CD 32 90A 11 -3,-2.2 -3,-2.2 55,-0.2 2,-0.4 -0.940 54.7-159.2-126.7 145.3 8.2 -21.4 14.2 36 36 A V E -CD 31 89A 0 53,-2.3 53,-2.8 -2,-0.3 2,-0.4 -0.988 13.7-158.9-120.2 129.6 9.2 -18.7 16.7 37 37 A Y E +CD 30 88A 15 -7,-2.5 -7,-2.5 -2,-0.4 51,-0.2 -0.916 22.2 153.3-109.5 138.9 9.8 -15.2 15.4 38 38 A C E - D 0 87A 0 49,-1.8 49,-2.7 -2,-0.4 -9,-0.1 -0.986 50.4 -74.9-157.7 162.5 11.9 -12.6 17.3 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.358 39.5-133.8 -57.7 137.0 14.1 -9.5 16.9 40 40 A R G > S+ 0 0 41 45,-2.6 3,-1.9 1,-0.3 46,-0.1 0.767 96.9 78.4 -69.7 -20.2 17.5 -10.5 15.4 41 41 A H G > + 0 0 27 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.492 66.3 89.7 -67.9 2.1 19.3 -8.4 18.0 42 42 A V G < S+ 0 0 0 -3,-1.4 -17,-0.3 1,-0.3 -20,-0.3 0.755 83.1 58.6 -64.9 -22.3 18.7 -11.1 20.6 43 43 A I G < S+ 0 0 7 -3,-1.9 -1,-0.3 -4,-0.1 2,-0.2 0.515 93.3 94.0 -85.2 -3.3 22.1 -12.5 19.4 44 44 A C < - 0 0 6 -3,-1.5 2,-0.2 -4,-0.1 -22,-0.1 -0.608 60.9-149.1 -97.2 151.7 23.9 -9.2 20.2 45 45 A T > - 0 0 66 -2,-0.2 4,-1.5 1,-0.1 -2,-0.0 -0.553 43.7 -94.7 -99.9 172.1 25.8 -8.1 23.3 46 46 A A T 4 S+ 0 0 93 1,-0.2 4,-0.3 -2,-0.2 3,-0.3 0.916 128.2 46.9 -55.9 -44.8 25.9 -4.4 24.3 47 47 A E T >4 S+ 0 0 158 1,-0.2 3,-1.7 2,-0.2 4,-0.4 0.888 104.2 61.6 -66.3 -37.8 29.2 -3.9 22.4 48 48 A D G >4 S+ 0 0 45 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.882 93.1 66.9 -53.9 -40.1 27.9 -5.8 19.3 49 49 A M G 3< S+ 0 0 41 -4,-1.5 140,-2.4 -3,-0.3 -1,-0.3 0.661 82.7 74.2 -59.4 -17.9 25.1 -3.1 19.0 50 50 A L G < S- 0 0 112 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.870 128.7 -13.6 -65.7 -36.0 27.6 -0.3 18.1 51 51 A N S < S- 0 0 137 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 -0.388 85.4-176.1-165.2 69.6 28.2 -1.7 14.6 52 52 A P - 0 0 15 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.515 20.4-157.7 -80.5 140.0 26.8 -5.2 14.4 53 53 A N > - 0 0 96 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.938 11.7-168.9-111.8 103.2 27.2 -7.3 11.3 54 54 A Y H > S+ 0 0 9 -2,-0.7 4,-2.5 2,-0.2 5,-0.2 0.827 82.4 56.4 -64.4 -34.5 24.3 -9.8 11.8 55 55 A E H > S+ 0 0 153 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 113.9 41.8 -61.8 -47.2 25.4 -12.2 9.1 56 56 A D H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.889 115.7 48.4 -68.1 -40.9 28.7 -12.5 10.8 57 57 A L H < S+ 0 0 28 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.870 113.5 48.3 -68.0 -34.4 27.3 -12.7 14.4 58 58 A L H >< S+ 0 0 18 -4,-2.5 3,-2.7 1,-0.2 -2,-0.2 0.884 99.6 60.8 -75.0 -41.0 24.7 -15.3 13.4 59 59 A I H 3< S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.756 100.2 62.2 -58.4 -21.7 26.9 -17.8 11.5 60 60 A R T 3< S+ 0 0 172 -4,-0.7 -1,-0.3 -3,-0.2 2,-0.3 0.423 93.0 80.6 -82.1 -4.0 28.8 -18.1 14.8 61 61 A K < - 0 0 68 -3,-2.7 2,-0.2 2,-0.0 -18,-0.0 -0.725 64.3-153.2-101.9 157.2 25.6 -19.4 16.6 62 62 A S > - 0 0 36 -2,-0.3 3,-1.5 1,-0.0 4,-0.3 -0.660 38.9 -95.6-115.7 175.9 24.3 -23.0 16.6 63 63 A N G > S+ 0 0 51 1,-0.3 3,-1.2 -2,-0.2 14,-0.2 0.894 126.2 53.3 -60.3 -38.5 20.7 -24.1 17.0 64 64 A H G 3 S+ 0 0 165 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.437 84.1 81.2 -80.2 2.3 21.4 -24.7 20.7 65 65 A S G < S+ 0 0 39 -3,-1.5 -42,-0.6 -43,-0.1 2,-0.5 0.681 87.9 77.0 -73.4 -14.8 22.8 -21.2 21.2 66 66 A F E < -B 22 0A 8 -3,-1.2 2,-0.6 -4,-0.3 11,-0.4 -0.838 64.2-165.5-105.0 128.3 19.0 -20.4 21.5 67 67 A L E -B 21 0A 79 -46,-2.8 -46,-2.6 -2,-0.5 2,-0.5 -0.945 7.8-171.6-111.6 118.9 16.8 -21.1 24.5 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.4 -2,-0.6 2,-0.5 -0.959 1.0-170.8-114.9 122.5 13.1 -20.9 23.9 69 69 A Q E -BE 19 74A 59 -50,-2.3 -50,-2.4 -2,-0.5 2,-0.7 -0.952 8.3-169.7-117.9 123.3 10.7 -21.1 26.8 70 70 A A E > - E 0 73A 15 3,-3.2 3,-3.2 -2,-0.5 2,-0.6 -0.936 68.9 -54.9-110.7 108.2 6.9 -21.4 26.4 71 71 A G T 3 S- 0 0 69 -2,-0.7 -52,-0.0 -54,-0.3 -2,-0.0 -0.447 122.4 -22.8 62.0-108.5 5.3 -20.9 29.8 72 72 A N T 3 S+ 0 0 157 -2,-0.6 2,-0.4 2,-0.0 -1,-0.3 0.310 122.1 93.8-114.8 4.0 7.1 -23.5 31.9 73 73 A V E < -E 70 0A 91 -3,-3.2 -3,-3.2 0, 0.0 2,-0.5 -0.792 68.6-133.3-104.5 143.5 8.1 -25.7 29.0 74 74 A Q E -E 69 0A 94 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.796 17.2-151.5 -94.8 127.7 11.4 -25.6 27.1 75 75 A L E -E 68 0A 9 -7,-3.4 -7,-0.9 -2,-0.5 2,-0.5 -0.797 12.9-132.4 -98.3 139.7 11.1 -25.7 23.3 76 76 A R - 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