==== 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 HYDROLASE 11-MAY-06 2GZ8 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR I.L.LU,S.Y.WU . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 63.4 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 . 30 9.8 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 0 163 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 178.6 15.9 -35.1 2.0 2 2 A G - 0 0 43 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.158 360.0-126.9 90.7 167.6 12.5 -33.9 1.0 3 3 A F + 0 0 29 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.872 30.3 165.9-157.0 119.2 9.3 -34.1 3.0 4 4 A R - 0 0 199 -2,-0.3 2,-1.0 295,-0.0 295,-0.0 -0.942 48.7 -99.1-133.1 151.0 6.0 -35.6 1.9 5 5 A K - 0 0 93 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.641 54.7-164.8 -63.4 103.7 2.7 -36.7 3.4 6 6 A M - 0 0 75 -2,-1.0 2,-0.2 120,-0.1 120,-0.1 -0.874 11.8-155.7-104.5 132.4 3.6 -40.4 3.6 7 7 A A - 0 0 31 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.555 30.0-100.3 -89.0 160.7 1.1 -43.2 4.1 8 8 A F - 0 0 18 142,-0.2 -1,-0.1 -2,-0.2 2,-0.1 -0.502 52.0 -86.4 -72.3 150.1 2.0 -46.6 5.5 9 9 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.432 41.6-149.4 -59.3 133.9 2.4 -49.4 2.9 10 10 A S >> + 0 0 17 1,-0.2 4,-2.7 2,-0.1 3,-1.3 0.461 65.3 103.5 -94.6 -3.2 -1.2 -50.7 2.5 11 11 A G H 3> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.858 78.4 52.4 -46.0 -51.2 -0.6 -54.4 1.7 12 12 A K H 34 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.788 116.1 42.5 -62.2 -26.1 -1.5 -55.9 5.1 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.4 2,-0.1 4,-0.5 0.859 104.4 62.6 -88.0 -40.4 -4.8 -54.0 4.9 14 14 A E H >< S+ 0 0 88 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.875 98.4 58.9 -47.3 -43.7 -5.6 -54.7 1.3 15 15 A G T 3< S+ 0 0 24 -4,-1.7 82,-0.3 1,-0.3 -1,-0.3 0.402 104.7 51.9 -70.1 0.4 -5.7 -58.4 2.2 16 16 A C T < S+ 0 0 1 -3,-2.4 15,-3.6 2,-0.0 2,-0.4 0.421 81.4 109.5-115.0 -4.9 -8.5 -57.7 4.7 17 17 A M E < +A 30 0A 13 -3,-1.4 2,-0.2 -4,-0.5 13,-0.2 -0.611 39.7 166.0 -84.9 129.4 -10.9 -55.8 2.5 18 18 A V E -A 29 0A 1 11,-2.5 11,-2.2 -2,-0.4 2,-0.4 -0.768 34.1-111.6-129.3 176.8 -14.2 -57.5 1.5 19 19 A Q E -AB 28 69A 36 50,-2.1 50,-2.5 -2,-0.2 2,-0.4 -0.930 24.8-164.1-112.4 134.5 -17.6 -56.5 0.1 20 20 A V E -AB 27 68A 0 7,-3.0 7,-2.1 -2,-0.4 2,-0.4 -0.991 5.6-173.2-123.5 126.8 -20.8 -56.6 2.1 21 21 A T E +AB 26 67A 18 46,-2.9 46,-2.6 -2,-0.4 2,-0.4 -0.976 10.8 175.4-121.9 131.2 -24.2 -56.5 0.5 22 22 A C E > -AB 25 66A 5 3,-2.4 3,-2.4 -2,-0.4 2,-0.2 -0.974 69.4 -50.9-131.2 115.2 -27.6 -56.3 2.3 23 23 A G T 3 S- 0 0 68 42,-0.6 20,-0.1 -2,-0.4 21,-0.0 -0.368 124.5 -16.0 56.8-117.9 -30.5 -56.0 -0.0 24 24 A T T 3 S+ 0 0 119 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.463 118.0 93.3 -97.7 -3.8 -29.7 -53.2 -2.4 25 25 A T E < -A 22 0A 35 -3,-2.4 -3,-2.4 17,-0.3 2,-0.4 -0.792 48.6-179.5 -99.2 127.8 -26.8 -51.6 -0.4 26 26 A T E +A 21 0A 47 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.983 13.8 145.3-122.8 140.4 -23.2 -52.6 -0.9 27 27 A L E -A 20 0A 4 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.2 -0.892 46.5 -76.1-153.5-177.3 -20.2 -51.2 1.0 28 28 A N E -A 19 0A 0 117,-2.3 2,-0.3 -2,-0.3 -9,-0.2 -0.612 37.3-169.9 -90.3 147.7 -16.8 -52.4 2.3 29 29 A G E -A 18 0A 0 -11,-2.2 -11,-2.5 -2,-0.2 2,-0.5 -0.861 22.1-121.5-128.4 168.0 -16.1 -54.6 5.3 30 30 A L E -AC 17 37A 0 7,-2.2 7,-2.2 -2,-0.3 2,-0.8 -0.959 20.7-154.7-114.9 116.6 -12.9 -55.6 7.2 31 31 A W E + C 0 36A 21 -15,-3.6 2,-0.5 -2,-0.5 5,-0.2 -0.802 22.1 163.9-101.4 102.8 -12.1 -59.3 7.4 32 32 A L E > - C 0 35A 1 3,-2.1 3,-2.0 -2,-0.8 2,-0.1 -0.987 66.2 -43.7-121.1 121.8 -10.0 -60.3 10.4 33 33 A D T 3 S- 0 0 69 -2,-0.5 62,-2.7 62,-0.4 64,-0.1 -0.389 124.5 -23.2 55.4-124.2 -9.8 -64.0 11.4 34 34 A D T 3 S+ 0 0 62 60,-0.3 57,-2.6 -2,-0.1 2,-0.4 0.058 121.2 88.6-104.3 28.3 -13.4 -65.3 11.1 35 35 A T E < -CD 32 90A 26 -3,-2.0 -3,-2.1 55,-0.2 2,-0.5 -0.970 55.8-157.7-126.4 140.4 -15.1 -61.9 11.6 36 36 A V E -CD 31 89A 0 53,-3.1 53,-2.7 -2,-0.4 2,-0.4 -0.972 13.5-158.1-111.0 126.9 -16.2 -59.2 9.0 37 37 A Y E +CD 30 88A 11 -7,-2.2 -7,-2.2 -2,-0.5 51,-0.2 -0.862 23.7 150.3-102.3 137.8 -16.6 -55.6 10.4 38 38 A C E - D 0 87A 0 49,-1.8 49,-2.9 -2,-0.4 -9,-0.1 -0.987 52.0 -75.5-157.4 163.6 -18.8 -53.1 8.6 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.444 37.8-136.4 -59.0 132.8 -21.0 -50.0 9.1 40 40 A R G > S+ 0 0 28 45,-2.6 3,-2.3 1,-0.3 46,-0.1 0.775 96.2 80.3 -64.0 -23.7 -24.4 -51.1 10.5 41 41 A H G > + 0 0 44 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.543 66.1 88.1 -67.5 -0.7 -26.1 -48.7 8.1 42 42 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -17,-0.3 0.732 83.4 59.0 -60.1 -22.4 -25.6 -51.4 5.4 43 43 A I G < S+ 0 0 4 -3,-2.3 2,-0.4 -4,-0.1 -1,-0.2 0.515 87.9 97.2 -86.8 -3.6 -29.0 -52.7 6.7 44 44 A C < - 0 0 9 -3,-1.5 -22,-0.1 -4,-0.1 2,-0.0 -0.724 58.1-158.9 -94.3 130.7 -30.7 -49.4 5.8 45 45 A T > - 0 0 50 -2,-0.4 2,-1.8 1,-0.1 4,-1.0 -0.049 46.5 -57.2 -93.1-163.1 -32.7 -48.9 2.6 46 46 A A T 4 S+ 0 0 84 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.223 133.3 17.7 -78.4 45.2 -33.8 -45.9 0.6 47 47 A E T >4 S+ 0 0 130 -2,-1.8 3,-0.7 0, 0.0 4,-0.5 0.167 102.9 84.1-179.3 -19.2 -35.8 -44.2 3.4 48 48 A D G >4 S+ 0 0 35 -3,-0.3 3,-1.4 1,-0.2 -2,-0.1 0.899 77.3 73.3 -61.1 -44.9 -34.5 -45.9 6.6 49 49 A M G 3< S+ 0 0 54 -4,-1.0 140,-2.1 1,-0.3 -1,-0.2 0.749 86.2 64.7 -39.4 -39.9 -31.5 -43.5 6.8 50 50 A L G < S- 0 0 124 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.886 131.3 -9.0 -60.5 -44.0 -33.8 -40.6 7.9 51 51 A N S < S+ 0 0 132 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 -0.414 83.7 177.9-153.6 70.2 -34.8 -42.2 11.2 52 52 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.513 23.8-154.1 -83.5 144.4 -33.6 -45.8 11.5 53 53 A N > - 0 0 89 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.947 12.9-170.7-108.5 102.6 -34.1 -48.1 14.4 54 54 A Y H > S+ 0 0 3 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.831 82.3 56.3 -69.4 -34.7 -31.2 -50.5 14.0 55 55 A E H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 114.6 40.7 -55.6 -52.1 -32.3 -52.9 16.7 56 56 A D H > S+ 0 0 74 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.873 115.6 49.6 -66.2 -41.2 -35.6 -53.2 14.9 57 57 A L H < S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.6 46.6 -67.7 -33.4 -34.1 -53.3 11.4 58 58 A L H >< S+ 0 0 16 -4,-2.4 3,-2.5 -5,-0.2 -2,-0.2 0.853 101.0 62.0 -78.8 -36.8 -31.5 -56.0 12.4 59 59 A I H 3< S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 99.9 59.3 -60.9 -28.4 -33.9 -58.4 14.2 60 60 A R T 3< S+ 0 0 177 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.3 0.378 94.7 87.1 -78.5 0.1 -35.7 -58.7 10.8 61 61 A K < - 0 0 61 -3,-2.5 2,-0.2 2,-0.0 -3,-0.0 -0.793 60.4-157.4-103.3 148.1 -32.5 -60.0 9.2 62 62 A S > - 0 0 38 -2,-0.3 3,-1.4 1,-0.0 4,-0.4 -0.653 39.1 -98.3-107.3 172.3 -31.1 -63.6 9.0 63 63 A N G > S+ 0 0 52 1,-0.3 3,-0.9 -2,-0.2 14,-0.3 0.831 125.7 53.8 -55.5 -35.6 -27.5 -64.7 8.5 64 64 A H G 3 S+ 0 0 169 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.474 86.4 80.4 -85.8 -1.3 -28.3 -65.2 4.8 65 65 A S G < S+ 0 0 38 -3,-1.4 -42,-0.6 -43,-0.1 2,-0.5 0.795 87.1 73.6 -62.7 -28.3 -29.6 -61.6 4.5 66 66 A F E < -B 22 0A 7 -3,-0.9 2,-0.5 -4,-0.4 11,-0.4 -0.799 65.3-164.3-102.0 127.9 -25.9 -60.8 4.3 67 67 A L E -B 21 0A 69 -46,-2.6 -46,-2.9 -2,-0.5 2,-0.5 -0.949 9.2-172.5-109.1 116.2 -23.7 -61.4 1.2 68 68 A V E -BE 20 75A 0 7,-0.8 7,-3.3 -2,-0.5 2,-0.5 -0.961 0.5-170.8-116.4 122.3 -20.0 -61.2 1.9 69 69 A Q E -BE 19 74A 52 -50,-2.5 -50,-2.1 -2,-0.5 2,-0.8 -0.956 11.6-173.0-121.7 116.7 -17.5 -61.4 -1.1 70 70 A A E > S- E 0 73A 16 3,-2.2 3,-1.6 -2,-0.5 2,-0.5 -0.883 75.5 -50.2-103.9 95.7 -13.7 -61.7 -0.6 71 71 A G T 3 S- 0 0 73 -2,-0.8 -52,-0.1 1,-0.3 50,-0.0 -0.663 119.4 -29.8 72.9-121.5 -12.5 -61.3 -4.2 72 72 A N T 3 S+ 0 0 159 -2,-0.5 2,-0.3 2,-0.1 -1,-0.3 0.486 120.2 102.9-101.0 -7.1 -14.5 -63.8 -6.2 73 73 A V E < -E 70 0A 94 -3,-1.6 -3,-2.2 1,-0.0 2,-0.5 -0.550 67.4-139.6 -76.3 134.2 -14.9 -66.1 -3.2 74 74 A Q E -E 69 0A 107 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.848 13.6-150.1 -96.6 126.2 -18.3 -66.0 -1.4 75 75 A L E -E 68 0A 2 -7,-3.3 -7,-0.8 -2,-0.5 2,-0.6 -0.762 12.3-129.9 -95.8 143.0 -18.1 -66.1 2.4 76 76 A R - 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