==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-JUN-07 2Z3D . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB (PP1AB); . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.YIN . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 63.9 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 . 70 22.6 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 17.1 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 0 2 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 . 4 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 0 1 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 0 160 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0-178.9 16.1 -34.2 1.9 2 2 A G - 0 0 48 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.068 360.0-125.6 91.1 159.6 12.7 -33.0 1.0 3 3 A F + 0 0 30 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.857 31.2 169.5-148.2 117.9 9.5 -33.1 3.0 4 4 A R - 0 0 197 -2,-0.3 2,-0.6 295,-0.0 295,-0.0 -0.907 45.3-103.5-128.0 145.8 6.2 -34.7 1.9 5 5 A K - 0 0 94 -2,-0.3 2,-0.4 122,-0.1 122,-0.1 -0.615 55.5-166.6 -61.1 114.0 2.8 -35.6 3.3 6 6 A M - 0 0 81 -2,-0.6 2,-0.2 120,-0.1 120,-0.1 -0.932 15.9-154.2-119.7 134.7 3.5 -39.3 3.5 7 7 A A - 0 0 29 -2,-0.4 120,-0.1 118,-0.1 144,-0.1 -0.648 29.3-103.5 -99.0 157.8 1.2 -42.3 4.1 8 8 A F - 0 0 19 -2,-0.2 2,-0.2 142,-0.2 -1,-0.1 -0.479 53.0 -86.5 -69.2 150.9 2.0 -45.7 5.5 9 9 A P - 0 0 101 0, 0.0 3,-0.4 0, 0.0 4,-0.2 -0.498 41.9-148.6 -60.5 134.0 2.4 -48.4 2.9 10 10 A S > + 0 0 17 -2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.408 66.9 98.4 -97.0 -2.8 -1.2 -49.8 2.5 11 11 A G H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.783 80.5 55.0 -61.0 -38.0 -0.8 -53.5 1.6 12 12 A K H 4 S+ 0 0 79 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.912 116.3 40.5 -60.8 -39.6 -1.4 -54.9 5.1 13 13 A V H >4 S+ 0 0 0 -3,-0.4 3,-1.6 -4,-0.2 4,-0.4 0.848 107.1 62.8 -75.6 -34.8 -4.7 -53.0 5.1 14 14 A E H >< S+ 0 0 86 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.848 97.1 57.6 -59.4 -38.1 -5.5 -53.8 1.4 15 15 A G T 3< S+ 0 0 21 -4,-1.5 82,-0.3 1,-0.2 -1,-0.3 0.323 104.1 54.8 -78.1 9.4 -5.7 -57.6 2.1 16 16 A C T < S+ 0 0 1 -3,-1.6 15,-3.7 -5,-0.1 2,-0.3 0.445 81.9 109.4-115.8 -12.9 -8.4 -56.9 4.7 17 17 A M E < +A 30 0A 14 -3,-1.1 2,-0.2 -4,-0.4 54,-0.2 -0.539 38.9 162.8 -80.5 129.0 -10.9 -55.0 2.5 18 18 A V E -A 29 0A 2 11,-2.4 11,-2.0 -2,-0.3 2,-0.4 -0.755 36.0-109.4-131.7 178.1 -14.2 -56.6 1.5 19 19 A Q E -AB 28 69A 36 50,-1.8 50,-2.1 9,-0.2 2,-0.4 -0.928 25.7-164.6-113.1 137.8 -17.6 -55.6 0.1 20 20 A V E -AB 27 68A 0 7,-3.3 7,-2.8 -2,-0.4 2,-0.4 -0.997 6.9-176.9-128.4 125.3 -20.8 -55.7 2.2 21 21 A T E +AB 26 67A 23 46,-2.4 46,-2.5 -2,-0.4 2,-0.4 -0.978 10.1 178.0-122.2 131.2 -24.2 -55.5 0.7 22 22 A C E > S-AB 25 66A 6 3,-2.2 3,-2.1 -2,-0.4 2,-0.4 -0.978 71.4 -45.3-130.3 119.5 -27.5 -55.5 2.5 23 23 A G T 3 S- 0 0 69 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.488 125.0 -21.9 61.9-115.5 -30.5 -55.2 0.2 24 24 A T T 3 S+ 0 0 129 -2,-0.4 2,-0.5 18,-0.1 -1,-0.3 0.374 115.8 97.2-106.0 -6.5 -29.6 -52.4 -2.3 25 25 A T E < -A 22 0A 35 -3,-2.1 -3,-2.2 17,-0.3 2,-0.4 -0.785 51.2-174.8 -88.9 126.8 -26.9 -50.7 -0.2 26 26 A T E +A 21 0A 50 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.984 15.3 143.4-120.9 134.4 -23.3 -51.7 -0.9 27 27 A L E -A 20 0A 2 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.2 -0.886 45.7 -77.5-151.6-171.9 -20.2 -50.5 1.0 28 28 A N E -A 19 0A 0 117,-1.8 2,-0.3 -2,-0.3 -9,-0.2 -0.621 36.1-169.0 -97.9 148.2 -16.8 -51.6 2.3 29 29 A G E -A 18 0A 0 -11,-2.0 -11,-2.4 -2,-0.2 2,-0.6 -0.940 22.4-121.7-133.7 159.4 -16.1 -53.7 5.3 30 30 A L E -AC 17 37A 0 7,-3.0 7,-2.8 -2,-0.3 2,-0.8 -0.910 22.9-155.4-105.8 120.5 -12.9 -54.6 7.2 31 31 A W E + C 0 36A 21 -15,-3.7 2,-0.4 -2,-0.6 5,-0.2 -0.819 22.7 161.2-103.9 103.9 -12.1 -58.3 7.4 32 32 A L E > - C 0 35A 1 3,-1.8 3,-2.7 -2,-0.8 -2,-0.0 -0.986 65.6 -41.4-121.4 135.0 -10.0 -59.5 10.4 33 33 A D T 3 S- 0 0 70 -2,-0.4 62,-2.1 62,-0.4 60,-0.1 -0.237 125.0 -23.2 41.8-129.8 -9.9 -63.1 11.5 34 34 A D T 3 S+ 0 0 77 60,-0.3 57,-2.3 58,-0.1 2,-0.3 0.139 122.9 87.5 -95.2 21.7 -13.5 -64.4 11.3 35 35 A T E < -CD 32 90A 16 -3,-2.7 -3,-1.8 55,-0.2 2,-0.4 -0.899 54.7-161.6-121.5 147.4 -15.1 -60.9 11.6 36 36 A V E -CD 31 89A 0 53,-1.9 53,-2.7 -2,-0.3 2,-0.4 -0.995 14.2-156.6-124.0 121.4 -16.0 -58.2 9.1 37 37 A Y E +CD 30 88A 22 -7,-2.8 -7,-3.0 -2,-0.4 51,-0.2 -0.809 24.7 150.0 -93.1 138.6 -16.6 -54.7 10.5 38 38 A C E - D 0 87A 0 49,-1.7 49,-2.8 -2,-0.4 -9,-0.1 -0.979 51.1 -72.7-156.1 166.3 -18.8 -52.1 8.6 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.7 0, 0.0 47,-0.2 -0.414 36.8-135.7 -59.1 132.1 -21.1 -49.1 9.2 40 40 A R G > S+ 0 0 36 45,-2.2 3,-2.1 1,-0.3 46,-0.1 0.780 97.8 78.4 -61.5 -24.9 -24.4 -50.1 10.6 41 41 A H G > + 0 0 7 44,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.483 67.1 88.3 -68.8 2.2 -26.2 -47.8 8.1 42 42 A V G < S+ 0 0 0 -3,-1.7 -17,-0.3 1,-0.3 -1,-0.3 0.795 84.5 56.9 -61.5 -28.6 -25.6 -50.6 5.5 43 43 A I G < S+ 0 0 10 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.3 0.474 97.3 91.7 -80.7 -0.0 -29.0 -51.9 6.8 44 44 A C < - 0 0 5 -3,-1.4 2,-0.2 -4,-0.1 -22,-0.1 -0.700 60.2-153.6 -99.6 146.7 -30.5 -48.5 5.9 45 45 A T >> - 0 0 52 -2,-0.3 4,-1.7 -22,-0.0 3,-0.8 -0.685 44.4 -92.6 -98.2 166.4 -32.3 -47.1 2.8 46 46 A A T 34 S+ 0 0 80 -2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.797 125.4 50.6 -44.5 -41.5 -32.3 -43.4 1.9 47 47 A E T >4 S+ 0 0 135 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.806 107.0 52.6 -75.0 -30.8 -35.7 -42.8 3.7 48 48 A D G X4 S+ 0 0 55 -3,-0.8 3,-1.0 1,-0.2 -2,-0.2 0.842 94.8 70.9 -71.5 -31.8 -34.6 -44.5 6.9 49 49 A M G 3< S+ 0 0 19 -4,-1.7 140,-2.9 1,-0.2 -1,-0.2 0.786 89.1 63.6 -53.1 -30.1 -31.5 -42.3 7.1 50 50 A L G < S- 0 0 107 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.879 133.1 -7.0 -63.8 -39.4 -33.8 -39.3 7.9 51 51 A N S < S+ 0 0 137 -3,-1.0 -1,-0.2 -4,-0.5 2,-0.2 -0.438 85.7 178.0-156.0 74.0 -34.8 -41.0 11.2 52 52 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.540 22.4-158.4 -86.2 144.7 -33.5 -44.5 11.6 53 53 A N > - 0 0 86 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.960 11.4-172.0-114.9 108.3 -34.0 -46.9 14.5 54 54 A Y H > S+ 0 0 6 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.818 81.1 56.0 -75.7 -34.0 -31.1 -49.3 14.2 55 55 A E H > S+ 0 0 116 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.919 114.3 41.9 -61.0 -42.6 -32.2 -51.7 16.9 56 56 A D H > S+ 0 0 74 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.861 116.5 47.0 -74.1 -39.4 -35.6 -52.1 15.1 57 57 A L H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 113.1 50.3 -68.7 -37.3 -34.1 -52.2 11.5 58 58 A L H >< S+ 0 0 17 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.858 100.4 59.5 -71.3 -38.0 -31.5 -54.8 12.6 59 59 A I H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.796 98.7 62.8 -66.5 -26.2 -33.8 -57.3 14.3 60 60 A R T 3< S+ 0 0 172 -4,-0.7 2,-0.3 -3,-0.2 -1,-0.3 0.236 93.8 85.0 -73.5 8.3 -35.6 -57.6 11.0 61 61 A K < - 0 0 71 -3,-2.0 2,-0.2 2,-0.0 -18,-0.0 -0.880 59.8-160.2-116.2 147.3 -32.4 -59.0 9.4 62 62 A S > - 0 0 36 -2,-0.3 3,-0.6 1,-0.0 4,-0.2 -0.519 40.5 -96.2-105.2-178.9 -31.0 -62.5 9.3 63 63 A N G > S+ 0 0 52 1,-0.2 3,-1.3 -2,-0.2 14,-0.2 0.894 126.3 51.7 -63.7 -40.5 -27.4 -63.7 8.7 64 64 A H G 3 S+ 0 0 161 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.471 87.6 82.6 -80.7 -0.8 -28.2 -64.3 5.0 65 65 A S G < S+ 0 0 37 -3,-0.6 -42,-0.6 -43,-0.1 2,-0.4 0.658 88.8 67.5 -63.1 -17.8 -29.5 -60.7 4.8 66 66 A F E < -B 22 0A 6 -3,-1.3 2,-0.5 -4,-0.2 11,-0.4 -0.913 67.1-162.2-115.9 128.9 -25.8 -59.8 4.4 67 67 A L E -B 21 0A 94 -46,-2.5 -46,-2.4 -2,-0.4 2,-0.5 -0.963 8.1-171.7-110.5 123.2 -23.6 -60.6 1.4 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.1 -2,-0.5 2,-0.5 -0.971 2.8-170.1-115.3 128.8 -19.8 -60.3 2.0 69 69 A Q E -BE 19 74A 64 -50,-2.1 -50,-1.8 -2,-0.5 2,-0.6 -0.980 11.2-171.5-126.2 122.5 -17.5 -60.6 -0.9 70 70 A A E > S- E 0 73A 18 3,-3.1 3,-1.5 -2,-0.5 2,-0.5 -0.899 73.9 -47.5-114.4 101.3 -13.7 -61.0 -0.7 71 71 A G T 3 S- 0 0 68 -2,-0.6 -52,-0.1 1,-0.2 50,-0.0 -0.675 122.3 -29.1 69.2-122.6 -12.3 -60.7 -4.2 72 72 A N T 3 S+ 0 0 149 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.2 0.235 120.4 102.5-103.2 13.2 -14.6 -63.0 -6.2 73 73 A V E < -E 70 0A 86 -3,-1.5 -3,-3.1 0, 0.0 2,-0.5 -0.820 66.5-138.0-101.5 129.8 -15.2 -65.3 -3.2 74 74 A Q E -E 69 0A 105 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.742 13.8-151.0 -84.4 127.2 -18.4 -65.1 -1.2 75 75 A L E -E 68 0A 9 -7,-3.1 -7,-0.9 -2,-0.5 2,-0.6 -0.795 14.6-130.2 -93.2 141.5 -18.0 -65.2 2.5 76 76 A R - 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