==== 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 2Z3C . 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) . 14449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.2 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 . 71 22.9 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 . 26 8.4 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 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 1 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 0 159 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 178.7 -16.3 6.1 -2.3 2 2 A G - 0 0 41 212,-0.1 2,-0.3 1,-0.1 280,-0.0 -0.149 360.0-127.8 97.1 162.2 -12.7 7.3 -1.4 3 3 A F + 0 0 30 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.875 29.1 167.1-157.4 116.0 -9.4 7.2 -3.3 4 4 A R - 0 0 199 -2,-0.3 2,-0.4 295,-0.0 295,-0.0 -0.934 47.4-100.7-129.6 149.8 -6.2 5.8 -1.9 5 5 A K - 0 0 89 -2,-0.3 2,-0.4 122,-0.0 286,-0.1 -0.625 56.3-164.9 -66.3 123.9 -2.8 4.9 -3.4 6 6 A M - 0 0 72 -2,-0.4 2,-0.2 120,-0.1 120,-0.1 -0.978 16.5-153.4-130.1 132.1 -3.4 1.2 -3.5 7 7 A A - 0 0 28 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.506 30.0-101.4 -96.8 163.4 -1.1 -1.7 -4.0 8 8 A F - 0 0 19 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.533 51.5 -87.5 -78.8 148.5 -1.9 -5.2 -5.5 9 9 A P - 0 0 99 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.369 43.3-150.6 -55.0 146.5 -2.4 -8.0 -3.0 10 10 A S >> + 0 0 18 1,-0.2 4,-1.8 2,-0.1 3,-0.9 0.459 64.3 100.1-108.1 -0.5 1.1 -9.3 -2.5 11 11 A G H 3> S+ 0 0 47 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.773 78.6 55.5 -60.8 -34.7 0.7 -13.0 -1.7 12 12 A K H 34 S+ 0 0 82 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.858 114.1 43.1 -70.1 -28.0 1.5 -14.4 -5.1 13 13 A V H X4 S+ 0 0 0 -3,-0.9 3,-2.2 2,-0.2 4,-0.4 0.859 105.3 61.9 -82.7 -31.0 4.8 -12.6 -5.0 14 14 A E H >< S+ 0 0 87 -4,-1.8 3,-1.6 1,-0.3 -2,-0.2 0.890 96.6 61.0 -60.5 -39.2 5.6 -13.4 -1.3 15 15 A G T 3< S+ 0 0 21 -4,-1.6 -1,-0.3 1,-0.3 82,-0.3 0.490 103.8 52.0 -66.1 -3.6 5.7 -17.1 -2.3 16 16 A C T < S+ 0 0 1 -3,-2.2 15,-3.0 81,-0.1 2,-0.4 0.423 80.9 110.0-112.5 -0.6 8.5 -16.3 -4.6 17 17 A M E < +A 30 0A 13 -3,-1.6 54,-0.3 -4,-0.4 2,-0.2 -0.634 37.5 162.6 -89.2 129.3 11.0 -14.5 -2.4 18 18 A V E -A 29 0A 1 11,-2.6 11,-2.1 -2,-0.4 2,-0.4 -0.759 35.7-110.0-128.3 179.4 14.2 -16.2 -1.4 19 19 A Q E -AB 28 69A 34 50,-2.4 50,-2.8 9,-0.2 2,-0.5 -0.928 25.2-164.4-115.7 135.3 17.6 -15.1 0.0 20 20 A V E -AB 27 68A 0 7,-3.2 7,-2.1 -2,-0.4 2,-0.4 -0.983 5.7-173.7-122.4 127.4 20.8 -15.2 -2.0 21 21 A T E +AB 26 67A 25 46,-2.5 46,-2.2 -2,-0.5 2,-0.4 -0.961 10.6 176.3-120.1 134.6 24.3 -15.1 -0.5 22 22 A C E > S-AB 25 66A 6 3,-2.7 3,-2.4 -2,-0.4 2,-0.3 -0.955 70.2 -47.7-133.7 114.7 27.6 -14.8 -2.2 23 23 A G T 3 S- 0 0 64 42,-0.6 22,-0.1 -2,-0.4 20,-0.1 -0.457 125.3 -19.9 62.8-119.2 30.6 -14.5 0.1 24 24 A T T 3 S+ 0 0 132 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.375 117.3 97.8-101.8 1.8 29.7 -11.8 2.6 25 25 A T E < -A 22 0A 40 -3,-2.4 -3,-2.7 17,-0.3 2,-0.4 -0.810 48.1-179.4 -95.0 128.6 26.9 -10.2 0.4 26 26 A T E +A 21 0A 50 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.984 14.4 143.0-125.6 138.3 23.3 -11.2 1.1 27 27 A L E -A 20 0A 1 -7,-2.1 -7,-3.2 -2,-0.4 2,-0.2 -0.908 45.8 -77.8-159.2-179.0 20.2 -9.9 -0.8 28 28 A N E -A 19 0A 0 117,-1.9 2,-0.3 -2,-0.3 -9,-0.2 -0.613 36.1-172.0 -94.5 150.0 16.9 -11.1 -2.2 29 29 A G E -A 18 0A 0 -11,-2.1 -11,-2.6 -2,-0.2 2,-0.5 -0.921 23.0-119.2-133.5 173.9 16.1 -13.1 -5.2 30 30 A L E -AC 17 37A 0 7,-2.6 7,-2.6 -2,-0.3 2,-0.7 -0.935 20.6-155.7-117.8 122.9 12.9 -14.2 -7.1 31 31 A W E + C 0 36A 21 -15,-3.0 2,-0.4 -2,-0.5 5,-0.2 -0.848 20.8 164.9-108.5 103.0 12.2 -17.9 -7.4 32 32 A L E > - C 0 35A 1 3,-2.2 3,-2.7 -2,-0.7 -2,-0.0 -0.982 66.9 -42.7-119.2 135.1 10.0 -18.9 -10.4 33 33 A D T 3 S- 0 0 76 -2,-0.4 62,-2.4 62,-0.3 64,-0.1 -0.265 125.2 -23.6 39.0-120.4 9.9 -22.5 -11.4 34 34 A D T 3 S+ 0 0 71 60,-0.2 57,-2.5 -3,-0.1 2,-0.4 0.124 120.7 84.9-107.6 20.9 13.5 -23.7 -11.2 35 35 A T E < -CD 32 90A 16 -3,-2.7 -3,-2.2 55,-0.2 2,-0.5 -0.958 56.3-157.1-119.8 142.7 15.3 -20.4 -11.6 36 36 A V E -CD 31 89A 0 53,-2.7 53,-2.9 -2,-0.4 2,-0.4 -0.981 14.0-155.3-112.5 132.2 16.2 -17.7 -9.0 37 37 A Y E +CD 30 88A 25 -7,-2.6 -7,-2.6 -2,-0.5 51,-0.2 -0.878 23.7 153.6-106.1 134.7 16.8 -14.2 -10.3 38 38 A C E - D 0 87A 0 49,-1.7 49,-2.9 -2,-0.4 2,-0.1 -0.972 49.7 -78.7-152.2 163.5 18.9 -11.7 -8.5 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.3 -0.445 37.6-134.2 -60.7 131.9 21.1 -8.6 -9.0 40 40 A R G > S+ 0 0 34 45,-2.6 3,-2.0 1,-0.3 4,-0.2 0.725 96.2 79.8 -63.7 -23.2 24.5 -9.6 -10.3 41 41 A H G > + 0 0 9 44,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.560 67.6 89.1 -67.7 0.3 26.3 -7.3 -7.8 42 42 A V G < S+ 0 0 0 -3,-1.5 -17,-0.3 1,-0.2 -1,-0.3 0.755 83.9 56.0 -59.3 -24.5 25.7 -10.0 -5.3 43 43 A I G < S+ 0 0 7 -3,-2.0 -1,-0.2 -4,-0.1 2,-0.2 0.506 95.4 91.1 -88.8 -4.8 29.1 -11.4 -6.6 44 44 A C < - 0 0 5 -3,-1.4 2,-0.3 -4,-0.2 -22,-0.1 -0.519 60.6-150.2 -91.3 153.3 31.0 -8.1 -5.8 45 45 A T > - 0 0 57 -2,-0.2 4,-1.3 -22,-0.1 3,-0.3 -0.715 44.0 -91.0-101.5 171.5 32.8 -6.8 -2.8 46 46 A A T 4 S+ 0 0 82 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.834 128.5 41.7 -50.2 -44.2 33.0 -3.1 -1.9 47 47 A E T >> S+ 0 0 135 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.768 108.7 61.4 -79.9 -23.0 36.3 -2.4 -3.8 48 48 A D T 34 S+ 0 0 49 -3,-0.3 3,-0.5 1,-0.2 -2,-0.2 0.802 97.2 63.4 -61.4 -30.5 34.9 -4.6 -6.6 49 49 A M T 3< S+ 0 0 19 -4,-1.3 140,-2.1 1,-0.2 -1,-0.2 0.728 86.1 68.0 -71.7 -25.2 32.1 -2.1 -6.9 50 50 A L T <4 S- 0 0 99 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.885 131.0 -6.0 -62.8 -37.4 34.2 1.0 -7.9 51 51 A N S < S- 0 0 138 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 -0.376 86.8-177.3-156.4 59.8 35.0 -0.6 -11.3 52 52 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.253 19.4-156.7 -71.9 152.2 33.6 -4.1 -11.4 53 53 A N > - 0 0 84 1,-0.1 4,-3.4 2,-0.0 5,-0.2 -0.913 11.4-173.3-124.2 102.3 34.1 -6.4 -14.3 54 54 A Y H > S+ 0 0 4 -2,-0.5 4,-3.3 2,-0.2 5,-0.2 0.867 81.0 54.2 -67.7 -40.8 31.2 -8.8 -14.0 55 55 A E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 117.6 40.2 -57.7 -40.7 32.2 -11.2 -16.8 56 56 A D H > S+ 0 0 72 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.901 116.1 48.4 -76.2 -45.1 35.6 -11.5 -15.0 57 57 A L H < S+ 0 0 21 -4,-3.4 3,-0.2 1,-0.2 -2,-0.2 0.861 114.1 49.8 -59.7 -36.5 34.2 -11.6 -11.5 58 58 A L H >< S+ 0 0 17 -4,-3.3 3,-2.5 1,-0.2 -2,-0.2 0.872 98.4 60.6 -75.5 -42.8 31.7 -14.2 -12.5 59 59 A I H 3< S+ 0 0 144 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.758 100.8 62.1 -53.5 -26.6 34.0 -16.7 -14.3 60 60 A R T 3< S+ 0 0 173 -4,-0.7 2,-0.3 -3,-0.2 -1,-0.3 0.373 93.1 81.0 -78.3 -0.3 35.7 -16.9 -10.8 61 61 A K < - 0 0 66 -3,-2.5 2,-0.2 2,-0.0 -18,-0.0 -0.817 61.2-157.2-107.8 147.5 32.5 -18.3 -9.2 62 62 A S > - 0 0 38 -2,-0.3 3,-0.7 1,-0.1 4,-0.2 -0.483 38.7 -98.9-104.2-177.9 31.1 -21.8 -9.1 63 63 A N G > S+ 0 0 51 1,-0.2 3,-1.5 -2,-0.2 14,-0.2 0.880 126.1 55.3 -64.7 -41.1 27.5 -23.0 -8.5 64 64 A H G 3 S+ 0 0 163 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.439 88.1 79.1 -75.6 4.6 28.4 -23.7 -4.9 65 65 A S G < S+ 0 0 35 -3,-0.7 -42,-0.6 -43,-0.1 2,-0.4 0.664 88.7 67.0 -75.5 -17.7 29.6 -20.1 -4.6 66 66 A F E < -B 22 0A 7 -3,-1.5 2,-0.5 -4,-0.2 11,-0.4 -0.879 66.7-162.4-113.1 130.4 25.9 -19.1 -4.3 67 67 A L E -B 21 0A 92 -46,-2.2 -46,-2.5 -2,-0.4 2,-0.5 -0.976 7.9-167.9-110.4 125.2 23.7 -20.1 -1.3 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.8 -2,-0.5 2,-0.5 -0.975 2.7-168.4-118.2 124.4 20.0 -19.8 -1.9 69 69 A Q E -BE 19 74A 64 -50,-2.8 -50,-2.4 -2,-0.5 2,-0.8 -0.955 10.7-169.4-119.0 119.7 17.7 -20.0 1.0 70 70 A A E > S- E 0 73A 15 3,-3.0 3,-2.3 -2,-0.5 2,-0.5 -0.902 71.1 -55.6-105.9 102.3 13.9 -20.5 0.7 71 71 A G T 3 S- 0 0 62 -2,-0.8 -52,-0.1 1,-0.3 50,-0.0 -0.540 121.5 -22.2 64.7-116.2 12.6 -19.9 4.2 72 72 A N T 3 S+ 0 0 150 -2,-0.5 2,-0.3 2,-0.1 -1,-0.3 0.486 122.0 94.8 -97.8 -5.1 14.5 -22.4 6.3 73 73 A V E < -E 70 0A 81 -3,-2.3 -3,-3.0 1,-0.0 2,-0.5 -0.691 69.5-134.1 -97.4 135.5 15.3 -24.7 3.3 74 74 A Q E -E 69 0A 102 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.757 14.3-149.9 -85.6 128.8 18.6 -24.5 1.3 75 75 A L E -E 68 0A 8 -7,-3.8 -7,-0.9 -2,-0.5 2,-0.5 -0.883 14.8-133.7 -98.2 124.8 18.2 -24.6 -2.4 76 76 A R - 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