==== 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 2GZ7 . 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) . 14539.0 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 . 28 9.2 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 . 53 17.3 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 0 161 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0-177.7 15.9 -35.0 2.1 2 2 A G - 0 0 45 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.209 360.0-129.0 93.3 167.3 12.4 -33.9 1.0 3 3 A F + 0 0 29 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.862 30.8 164.5-160.1 118.1 9.2 -34.0 3.1 4 4 A R - 0 0 196 -2,-0.3 2,-1.1 2,-0.0 295,-0.0 -0.935 49.4 -98.8-132.9 153.1 6.0 -35.5 1.9 5 5 A K - 0 0 99 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.675 54.1-164.3 -69.4 103.4 2.7 -36.6 3.5 6 6 A M - 0 0 73 -2,-1.1 2,-0.2 120,-0.1 120,-0.1 -0.858 10.7-154.3-101.8 129.3 3.6 -40.3 3.6 7 7 A A - 0 0 29 -2,-0.5 120,-0.1 118,-0.1 144,-0.1 -0.529 29.6-100.9 -86.1 161.1 1.1 -43.1 4.1 8 8 A F - 0 0 16 142,-0.2 -1,-0.1 -2,-0.2 2,-0.1 -0.487 51.5 -87.3 -72.8 150.8 2.0 -46.5 5.5 9 9 A P - 0 0 104 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.464 42.2-151.6 -60.5 136.9 2.4 -49.3 3.0 10 10 A S >> + 0 0 17 1,-0.2 4,-2.6 2,-0.1 3,-1.4 0.500 64.7 101.6 -98.9 -6.8 -1.2 -50.7 2.5 11 11 A G H 3> S+ 0 0 45 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.822 79.5 55.7 -46.6 -44.8 -0.7 -54.3 1.6 12 12 A K H 34 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.803 115.3 40.1 -62.4 -28.5 -1.5 -55.7 5.1 13 13 A V H X> S+ 0 0 0 -3,-1.4 3,-2.4 2,-0.1 4,-0.5 0.853 105.9 63.7 -87.3 -38.0 -4.8 -53.9 5.0 14 14 A E H >< S+ 0 0 90 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.862 98.1 57.5 -49.4 -40.4 -5.6 -54.7 1.3 15 15 A G T 3< S+ 0 0 23 -4,-1.6 82,-0.3 1,-0.2 -1,-0.3 0.441 105.2 53.1 -74.9 0.6 -5.7 -58.4 2.2 16 16 A C T <4 S+ 0 0 0 -3,-2.4 15,-3.5 -5,-0.1 2,-0.4 0.468 81.7 108.6-111.2 -7.3 -8.4 -57.7 4.7 17 17 A M E << +A 30 0A 14 -3,-1.1 2,-0.3 -4,-0.5 54,-0.2 -0.578 39.8 166.0 -83.9 131.2 -10.9 -55.8 2.5 18 18 A V E -A 29 0A 1 11,-2.8 11,-2.7 -2,-0.4 2,-0.4 -0.804 34.2-112.6-131.5 174.0 -14.2 -57.4 1.5 19 19 A Q E -AB 28 69A 35 50,-2.2 50,-2.6 -2,-0.3 2,-0.4 -0.912 25.4-163.3-109.3 132.5 -17.5 -56.5 -0.0 20 20 A V E -AB 27 68A 0 7,-2.9 7,-2.1 -2,-0.4 2,-0.4 -0.987 6.5-174.3-124.0 128.3 -20.7 -56.7 2.1 21 21 A T E +AB 26 67A 19 46,-3.0 46,-2.9 -2,-0.4 2,-0.4 -0.975 11.2 171.7-123.9 135.3 -24.2 -56.7 0.5 22 22 A C E > S-AB 25 66A 4 3,-2.1 3,-2.2 -2,-0.4 2,-0.5 -0.964 70.7 -42.2-138.5 118.3 -27.6 -56.6 2.2 23 23 A G T 3 S- 0 0 75 42,-0.6 22,-0.1 -2,-0.4 20,-0.1 -0.445 124.9 -23.1 65.4-112.1 -30.6 -56.1 0.0 24 24 A T T 3 S+ 0 0 119 -2,-0.5 2,-0.5 18,-0.1 -1,-0.3 0.403 116.6 97.9-109.5 -4.6 -29.7 -53.4 -2.5 25 25 A T E < -A 22 0A 34 -3,-2.2 -3,-2.1 17,-0.3 2,-0.4 -0.770 47.6-178.3 -96.8 125.4 -26.9 -51.8 -0.5 26 26 A T E +A 21 0A 46 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.969 14.2 144.3-120.7 140.2 -23.2 -52.6 -1.0 27 27 A L E -A 20 0A 12 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.2 -0.888 46.4 -74.2-153.9-174.0 -20.2 -51.3 0.9 28 28 A N E -A 19 0A 0 117,-1.2 2,-0.3 -2,-0.3 -9,-0.3 -0.640 37.2-168.4 -92.9 146.9 -16.8 -52.4 2.2 29 29 A G E -A 18 0A 0 -11,-2.7 -11,-2.8 -2,-0.2 2,-0.6 -0.908 20.8-126.3-129.4 161.6 -16.0 -54.6 5.2 30 30 A L E -AC 17 37A 0 7,-2.4 7,-2.5 -2,-0.3 2,-0.7 -0.948 21.1-156.7-109.3 116.9 -12.9 -55.5 7.1 31 31 A W E + C 0 36A 21 -15,-3.5 2,-0.4 -2,-0.6 5,-0.2 -0.842 20.9 164.2-102.8 106.9 -12.2 -59.3 7.4 32 32 A L E > - C 0 35A 1 3,-2.5 3,-2.1 -2,-0.7 2,-0.2 -0.993 65.8 -40.0-124.0 124.0 -10.0 -60.3 10.4 33 33 A D T 3 S- 0 0 69 -2,-0.4 62,-2.7 62,-0.4 64,-0.1 -0.411 125.3 -25.6 55.9-123.4 -9.8 -63.9 11.5 34 34 A D T 3 S+ 0 0 57 60,-0.3 57,-2.7 -2,-0.2 2,-0.4 0.079 121.5 90.2-107.3 27.8 -13.4 -65.2 11.2 35 35 A T E < -CD 32 90A 27 -3,-2.1 -3,-2.5 55,-0.2 2,-0.5 -0.971 55.1-159.2-125.1 137.2 -15.1 -61.8 11.6 36 36 A V E -CD 31 89A 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.949 12.9-158.0-108.2 129.4 -16.1 -59.2 9.0 37 37 A Y E +CD 30 88A 13 -7,-2.5 -7,-2.4 -2,-0.5 51,-0.2 -0.887 23.6 151.1-105.3 136.5 -16.7 -55.6 10.4 38 38 A C E - D 0 87A 0 49,-1.9 49,-3.0 -2,-0.4 -9,-0.1 -0.987 50.9 -78.0-156.3 163.4 -18.8 -53.1 8.5 39 39 A P E > - D 0 86A 2 0, 0.0 3,-1.6 0, 0.0 47,-0.3 -0.420 35.4-134.2 -61.9 136.6 -21.0 -50.0 9.1 40 40 A R G > S+ 0 0 26 45,-2.5 3,-2.3 1,-0.3 4,-0.2 0.730 95.9 84.9 -67.1 -17.0 -24.5 -51.1 10.3 41 41 A H G > + 0 0 60 44,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.682 66.8 85.0 -57.3 -15.7 -26.0 -48.6 7.8 42 42 A V G < S+ 0 0 1 -3,-1.6 -17,-0.3 1,-0.3 -1,-0.3 0.737 84.0 58.2 -57.6 -21.4 -25.7 -51.5 5.3 43 43 A I G < S+ 0 0 3 -3,-2.3 -1,-0.3 -4,-0.1 2,-0.2 0.461 85.3 100.6 -93.4 0.8 -29.1 -52.8 6.6 44 44 A C < - 0 0 4 -3,-1.9 2,-0.2 -4,-0.2 -19,-0.1 -0.595 61.8-143.9 -82.6 147.3 -31.0 -49.6 5.8 45 45 A T >> - 0 0 49 -2,-0.2 3,-2.5 -22,-0.1 4,-0.6 -0.564 39.5 -88.6 -97.6 172.6 -33.2 -49.3 2.7 46 46 A A T 34 S+ 0 0 80 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.440 130.7 40.9 -61.8 -2.2 -33.6 -46.1 0.6 47 47 A E T 34 S+ 0 0 148 2,-0.0 -1,-0.3 3,-0.0 3,-0.2 0.204 102.4 71.3-126.2 8.0 -36.5 -45.0 2.9 48 48 A D T <4 S+ 0 0 42 -3,-2.5 3,-0.2 1,-0.1 -2,-0.2 0.611 70.6 86.5 -99.0 -18.1 -34.9 -46.0 6.2 49 49 A M S < S+ 0 0 41 -4,-0.6 140,-3.2 1,-0.2 -1,-0.1 0.546 77.0 64.9 -72.5 -14.4 -32.1 -43.4 6.6 50 50 A L S S- 0 0 122 138,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.980 130.0 -7.5 -70.6 -59.6 -34.1 -40.6 8.3 51 51 A N S S+ 0 0 139 -3,-0.2 2,-0.2 137,-0.1 -2,-0.2 -0.433 81.1 173.5-136.1 62.5 -34.9 -42.5 11.5 52 52 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.514 24.6-147.2 -73.9 139.2 -33.8 -46.1 11.2 53 53 A N > - 0 0 89 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.932 12.3-167.8-101.6 104.0 -34.0 -48.2 14.3 54 54 A Y H > S+ 0 0 0 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.808 84.9 55.4 -70.5 -31.2 -31.1 -50.5 13.9 55 55 A E H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 114.0 42.9 -61.3 -46.4 -32.1 -52.9 16.6 56 56 A D H > S+ 0 0 75 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.878 114.7 49.0 -67.1 -40.3 -35.5 -53.3 14.8 57 57 A L H < S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.9 48.0 -69.3 -34.1 -34.0 -53.5 11.3 58 58 A L H >< S+ 0 0 17 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.877 100.4 60.9 -77.3 -38.6 -31.5 -56.2 12.4 59 59 A I H 3< S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.865 100.7 60.2 -58.3 -30.7 -33.8 -58.5 14.2 60 60 A R T 3< S+ 0 0 176 -4,-0.9 2,-0.3 -5,-0.1 -1,-0.3 0.440 95.5 82.7 -74.1 -3.8 -35.6 -58.9 10.9 61 61 A K < - 0 0 59 -3,-2.5 2,-0.2 2,-0.0 -18,-0.0 -0.756 61.3-156.0-102.7 152.9 -32.4 -60.2 9.2 62 62 A S > - 0 0 36 -2,-0.3 3,-1.3 17,-0.0 4,-0.3 -0.628 39.7 -97.2-107.9 174.3 -30.9 -63.7 9.1 63 63 A N G > S+ 0 0 50 1,-0.2 3,-1.3 -2,-0.2 14,-0.2 0.877 125.9 53.9 -57.2 -38.3 -27.3 -64.8 8.6 64 64 A H G 3 S+ 0 0 169 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.437 86.5 80.7 -84.1 4.3 -28.1 -65.4 4.9 65 65 A S G < S+ 0 0 39 -3,-1.3 -42,-0.6 -43,-0.1 2,-0.5 0.743 86.9 73.8 -69.1 -22.6 -29.5 -61.9 4.6 66 66 A F E < -B 22 0A 8 -3,-1.3 2,-0.5 -4,-0.3 11,-0.4 -0.829 64.6-164.0-104.8 127.7 -25.8 -60.9 4.2 67 67 A L E -B 21 0A 63 -46,-2.9 -46,-3.0 -2,-0.5 2,-0.5 -0.946 10.1-173.4-107.5 118.9 -23.6 -61.5 1.2 68 68 A V E -BE 20 75A 0 7,-0.8 7,-2.6 -2,-0.5 2,-0.5 -0.975 1.7-168.9-115.4 122.9 -19.9 -61.2 1.9 69 69 A Q E -BE 19 74A 57 -50,-2.6 -50,-2.2 -2,-0.5 2,-0.7 -0.958 10.8-171.4-119.2 122.3 -17.5 -61.4 -1.1 70 70 A A E > S- E 0 73A 19 3,-3.0 3,-1.8 -2,-0.5 2,-0.5 -0.893 73.3 -52.4-108.7 98.0 -13.7 -61.7 -0.7 71 71 A G T 3 S- 0 0 74 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.639 120.6 -27.1 68.2-119.0 -12.3 -61.3 -4.2 72 72 A N T 3 S+ 0 0 160 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.445 121.3 99.1-101.1 -3.8 -14.3 -63.8 -6.2 73 73 A V E < -E 70 0A 94 -3,-1.8 -3,-3.0 1,-0.0 2,-0.6 -0.674 67.3-139.2 -88.2 133.5 -14.9 -66.1 -3.2 74 74 A Q E -E 69 0A 134 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.802 14.5-151.5 -94.1 124.1 -18.2 -66.0 -1.3 75 75 A L E -E 68 0A 2 -7,-2.6 -7,-0.8 -2,-0.6 2,-0.5 -0.695 14.1-128.2 -91.4 145.5 -17.9 -66.2 2.4 76 76 A R - 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