==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-03 1Q2W . COMPND 2 MOLECULE: NONSTRUCTURAL POLYPROTEIN PP1A; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.B.BONANNO,R.FOWLER,S.GUPTA,J.HENDLE,D.LORIMER,R.ROMERO, . 592 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 23.5 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 . 52 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 4 3 2 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 7 3 2 6 0 2 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 2 0 2 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 3 A F 0 0 53 0, 0.0 2,-0.4 0, 0.0 432,-0.1 0.000 360.0 360.0 360.0 119.8 9.0 42.4 22.8 2 4 A R - 0 0 34 292,-0.1 2,-1.4 430,-0.1 430,-0.0 -0.808 360.0-124.7-102.3 138.8 8.4 42.6 19.1 3 5 A K - 0 0 69 -2,-0.4 2,-0.4 418,-0.1 119,-0.3 -0.668 44.4-166.2 -71.5 91.8 10.9 41.6 16.4 4 6 A M - 0 0 13 -2,-1.4 416,-0.2 416,-0.1 2,-0.2 -0.697 12.2-150.9 -94.1 138.9 10.8 44.9 14.6 5 7 A A B -A 419 0A 2 414,-2.7 414,-2.3 -2,-0.4 117,-0.1 -0.466 30.0 -98.3 -93.3 162.7 12.1 45.7 11.2 6 8 A F - 0 0 13 139,-0.3 412,-0.2 412,-0.2 -1,-0.1 -0.584 53.7 -88.4 -72.8 149.5 13.5 49.0 10.0 7 9 A P - 0 0 8 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.366 38.9-147.7 -60.5 135.4 10.9 51.1 8.0 8 10 A S >> + 0 0 0 299,-0.2 4,-2.3 1,-0.2 3,-1.2 0.496 66.8 101.8 -90.6 -3.0 11.4 49.9 4.4 9 11 A G H 3> S+ 0 0 18 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.836 79.3 53.3 -56.2 -43.3 10.6 53.2 2.4 10 12 A K H 34 S+ 0 0 68 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.806 115.3 41.5 -59.6 -31.1 14.1 54.2 1.6 11 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.2 4,-0.4 0.848 105.2 63.7 -84.7 -35.9 14.8 50.7 0.2 12 14 A E H >< S+ 0 0 35 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.870 97.7 57.7 -54.6 -40.4 11.4 50.4 -1.7 13 15 A G T 3< S+ 0 0 31 -4,-1.6 79,-0.3 1,-0.3 -1,-0.3 0.392 106.5 51.1 -73.8 3.0 12.4 53.4 -3.9 14 16 A C T < S+ 0 0 0 -3,-2.2 15,-3.3 78,-0.0 2,-0.3 0.412 82.6 106.9-112.6 -3.9 15.5 51.5 -5.0 15 17 A M E < +I 28 0B 13 -3,-1.5 2,-0.3 -4,-0.4 13,-0.2 -0.615 39.7 161.2 -87.9 139.7 14.0 48.2 -6.0 16 18 A V E -I 27 0B 1 11,-2.1 11,-2.2 -2,-0.3 2,-0.4 -0.858 36.2-111.8-143.5 174.2 13.8 47.4 -9.8 17 19 A Q E -IJ 26 64B 28 47,-2.7 47,-2.4 -2,-0.3 2,-0.4 -0.893 24.0-162.5-115.7 143.5 13.4 44.3 -11.9 18 20 A V E -IJ 25 63B 0 7,-2.5 7,-2.0 -2,-0.4 2,-0.4 -0.997 6.5-171.9-131.8 128.0 16.2 42.9 -14.1 19 21 A T E +IJ 24 62B 22 43,-2.6 43,-2.9 -2,-0.4 2,-0.4 -0.972 12.8 171.7-125.2 138.8 15.5 40.5 -17.0 20 22 A C E > S-I 23 0B 5 3,-2.1 3,-1.8 -2,-0.4 2,-0.3 -0.935 71.9 -34.9-146.9 113.4 18.0 38.5 -19.1 21 23 A G T 3 S- 0 0 65 39,-0.5 20,-0.1 -2,-0.4 21,-0.0 -0.504 123.7 -29.8 71.2-128.1 16.5 35.9 -21.3 22 24 A T T 3 S+ 0 0 146 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.319 117.5 103.2 -99.6 7.3 13.6 34.3 -19.7 23 25 A T E < +I 20 0B 42 -3,-1.8 -3,-2.1 17,-0.3 2,-0.4 -0.806 46.6 177.3 -99.5 120.8 15.1 34.9 -16.2 24 26 A T E +I 19 0B 42 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.962 11.3 139.8-123.2 143.5 13.8 37.7 -14.1 25 27 A L E -I 18 0B 4 -7,-2.0 -7,-2.5 -2,-0.4 2,-0.2 -0.903 47.4 -69.0-159.1-173.0 14.7 38.8 -10.5 26 28 A N E -I 17 0B 0 114,-2.8 2,-0.3 -2,-0.3 -9,-0.2 -0.541 36.6-172.5 -89.9 156.9 15.2 41.9 -8.4 27 29 A G E -I 16 0B 0 -11,-2.2 -11,-2.1 -2,-0.2 2,-0.5 -0.924 23.8-123.2-138.0 164.4 18.0 44.5 -8.5 28 30 A L E -IK 15 35B 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.7 -0.959 22.0-155.9-111.6 121.9 19.0 47.4 -6.3 29 31 A W E + K 0 34B 23 -15,-3.3 2,-0.4 -2,-0.5 5,-0.2 -0.864 19.6 168.0-105.9 107.0 19.2 50.8 -8.1 30 32 A L E > - K 0 33B 0 3,-2.5 3,-2.4 -2,-0.7 2,-0.1 -0.981 63.9 -42.1-122.4 129.3 21.4 53.3 -6.5 31 33 A D T 3 S- 0 0 74 59,-0.5 59,-3.3 -2,-0.4 61,-0.1 -0.377 126.5 -23.6 54.2-118.8 22.4 56.5 -8.3 32 34 A D T 3 S+ 0 0 67 57,-0.3 54,-2.5 -2,-0.1 2,-0.4 0.047 121.7 84.9-114.3 22.5 23.2 55.3 -11.8 33 35 A T E < -KL 30 85B 10 -3,-2.4 -3,-2.5 52,-0.2 2,-0.5 -0.969 56.0-155.3-127.8 144.1 23.9 51.6 -11.1 34 36 A V E -KL 29 84B 0 50,-2.6 50,-3.3 -2,-0.4 2,-0.5 -0.979 11.0-159.9-116.7 126.9 21.9 48.5 -10.6 35 37 A Y E +KL 28 83B 14 -7,-3.0 -7,-2.4 -2,-0.5 48,-0.2 -0.893 23.4 151.8-102.5 133.8 23.2 45.6 -8.6 36 38 A C E - L 0 82B 0 46,-1.9 46,-2.9 -2,-0.5 -9,-0.1 -0.963 51.5 -75.6-152.2 162.5 21.8 42.1 -9.0 37 39 A P E > - L 0 81B 0 0, 0.0 3,-1.3 0, 0.0 44,-0.3 -0.393 37.9-133.4 -57.2 140.6 22.8 38.5 -8.7 38 40 A R G > S+ 0 0 32 42,-2.4 3,-2.3 1,-0.3 4,-0.2 0.785 97.9 79.3 -68.6 -25.9 25.0 37.4 -11.6 39 41 A H G > + 0 0 43 41,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.552 67.6 88.8 -60.3 -3.3 22.9 34.2 -12.0 40 42 A V G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.3 -17,-0.3 0.781 83.5 57.6 -60.5 -23.5 20.4 36.4 -13.8 41 43 A I G < 0 0 11 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.527 360.0 360.0 -87.2 -6.1 22.4 35.6 -17.0 42 44 A C < 0 0 68 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.667 360.0 360.0 -94.6 360.0 21.9 31.9 -16.4 43 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 44 49 A M 0 0 139 0, 0.0 140,-1.6 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-108.1 23.2 25.5 -14.5 45 50 A L + 0 0 41 138,-0.2 138,-0.0 1,-0.2 0, 0.0 0.668 360.0 30.6 -79.2 -24.9 25.0 22.8 -12.5 46 51 A N S S+ 0 0 125 137,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.293 78.5 166.0-137.0 55.9 28.1 24.1 -14.3 47 52 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.461 22.3-160.5 -71.7 136.0 28.0 27.8 -15.2 48 53 A N > - 0 0 92 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.897 10.8-167.0-110.2 102.5 31.2 29.6 -16.2 49 54 A Y H > S+ 0 0 8 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.815 82.2 52.3 -64.1 -35.8 30.2 33.2 -15.5 50 55 A E H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 114.0 45.2 -63.5 -42.9 33.0 34.9 -17.3 51 56 A D H > S+ 0 0 74 -3,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.796 115.1 47.9 -69.4 -31.0 32.2 32.8 -20.4 52 57 A L H < S+ 0 0 54 -4,-2.1 3,-0.3 1,-0.1 -2,-0.2 0.893 113.3 47.5 -78.1 -36.7 28.5 33.4 -20.1 53 58 A L H >< S+ 0 0 17 -4,-2.7 3,-2.2 -5,-0.2 -2,-0.2 0.845 100.1 61.0 -73.1 -38.5 28.8 37.1 -19.6 54 59 A I H 3< S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.801 99.1 62.9 -61.7 -24.5 31.2 38.0 -22.4 55 60 A R T 3< S+ 0 0 179 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.3 0.466 95.4 77.9 -73.9 -4.8 28.5 36.7 -24.7 56 61 A K < - 0 0 68 -3,-2.2 2,-0.2 -4,-0.0 3,-0.0 -0.732 61.0-159.0-107.2 153.2 26.1 39.4 -23.6 57 62 A S > - 0 0 40 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.745 40.6 -92.9-113.2 178.6 25.7 43.1 -24.4 58 63 A N G > S+ 0 0 50 1,-0.3 3,-2.2 -2,-0.2 14,-0.2 0.934 126.1 55.1 -49.2 -52.6 24.1 46.0 -22.7 59 64 A H G 3 S+ 0 0 169 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.545 89.5 78.2 -68.3 -3.7 20.9 45.5 -24.6 60 65 A S G < S+ 0 0 35 -3,-1.7 -39,-0.5 -40,-0.1 2,-0.5 0.742 88.3 68.6 -66.1 -26.3 20.9 41.9 -23.3 61 66 A F < - 0 0 8 -3,-2.2 2,-0.6 -4,-0.4 11,-0.4 -0.834 66.3-163.3-100.8 128.5 19.6 43.3 -20.0 62 67 A L E -J 19 0B 68 -43,-2.9 -43,-2.6 -2,-0.5 2,-0.5 -0.970 11.6-172.0-108.8 118.1 16.1 44.7 -19.6 63 68 A V E -JM 18 70B 0 7,-0.9 7,-3.4 -2,-0.6 2,-0.4 -0.958 2.3-172.7-113.8 129.3 15.9 46.8 -16.4 64 69 A Q E -JM 17 69B 53 -47,-2.4 -47,-2.7 -2,-0.5 2,-0.7 -0.978 20.0-163.5-125.8 125.6 12.4 48.1 -15.3 65 70 A A E > S- M 0 68B 22 3,-2.9 3,-2.4 -2,-0.4 2,-0.2 -0.953 79.6 -48.7-100.1 109.1 11.5 50.5 -12.5 66 71 A G T 3 S- 0 0 66 -2,-0.7 -49,-0.1 1,-0.3 50,-0.0 -0.439 124.2 -23.2 58.9-123.4 7.8 49.9 -12.2 67 72 A N T 3 S+ 0 0 150 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.369 121.0 98.3 -94.6 8.3 6.5 50.1 -15.8 68 73 A V E < -M 65 0B 80 -3,-2.4 -3,-2.9 1,-0.0 2,-0.2 -0.835 67.3-135.9-106.8 123.9 9.4 52.2 -17.0 69 74 A Q E -M 64 0B 114 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.3 -0.535 10.9-156.9 -77.9 139.6 12.5 50.8 -18.8 70 75 A L E -M 63 0B 4 -7,-3.4 -7,-0.9 -2,-0.2 2,-0.5 -0.960 21.4-125.4-110.3 133.2 15.9 52.0 -17.8 71 76 A R - 0 0 142 -2,-0.4 16,-1.9 -9,-0.1 2,-0.5 -0.686 13.5-136.7 -85.9 128.6 18.6 51.6 -20.5 72 77 A V E +N 86 0B 9 -2,-0.5 14,-0.3 -11,-0.4 3,-0.1 -0.705 27.8 170.4 -80.0 125.7 21.7 49.7 -19.6 73 78 A I E + 0 0 90 12,-2.6 2,-0.2 -2,-0.5 13,-0.2 0.162 65.4 10.6-121.8 13.9 24.7 51.5 -21.0 74 79 A G E -N 85 0B 17 11,-0.9 11,-1.9 -16,-0.1 -1,-0.3 -0.869 60.1-167.5 176.5 149.5 27.5 49.5 -19.2 75 80 A H E +N 84 0B 61 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.994 7.3 171.0-149.6 150.6 28.0 46.2 -17.2 76 81 A S E -N 83 0B 50 7,-1.7 7,-2.8 -2,-0.3 2,-0.4 -0.973 26.9-126.5-149.3 160.3 30.6 44.5 -15.1 77 82 A M E -N 82 0B 53 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.937 18.9-175.3-110.4 134.7 30.8 41.5 -12.8 78 83 A Q E > -N 81 0B 42 3,-2.4 3,-2.7 -2,-0.4 -40,-0.1 -0.957 63.0 -60.6-130.4 106.4 32.1 41.8 -9.2 79 84 A N T 3 S- 0 0 69 -2,-0.5 95,-0.2 1,-0.3 96,-0.2 -0.304 121.8 -13.8 51.0-118.9 32.3 38.4 -7.5 80 85 A C T 3 S+ 0 0 15 94,-1.9 -42,-2.4 93,-0.1 -41,-0.4 0.313 124.9 78.3 -95.8 12.0 28.8 37.1 -7.5 81 86 A L E < -LN 37 78B 0 -3,-2.7 -3,-2.4 92,-0.3 2,-0.4 -0.781 65.8-139.8-109.5 158.4 27.0 40.3 -8.4 82 87 A L E -LN 36 77B 1 -46,-2.9 -46,-1.9 -2,-0.3 2,-0.6 -0.952 10.2-153.1-110.5 140.9 26.5 42.2 -11.7 83 88 A R E -LN 35 76B 87 -7,-2.8 -7,-1.7 -2,-0.4 2,-0.6 -0.968 12.2-166.3-111.2 114.0 26.8 46.0 -11.7 84 89 A L E -LN 34 75B 0 -50,-3.3 -50,-2.6 -2,-0.6 2,-0.4 -0.903 11.7-145.9-104.9 115.6 24.7 47.5 -14.5 85 90 A K E -LN 33 74B 77 -11,-1.9 -12,-2.6 -2,-0.6 -11,-0.9 -0.634 23.8-164.8 -74.3 128.2 25.3 51.1 -15.4 86 91 A V E - 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