==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-AUG-08 3EA9 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.H.SHI,S.JAYARAMAN,J.X.SONG . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 20.9 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 . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 3 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 1 1 2 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 0 154 0, 0.0 299,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.2 -15.8 44.2 -2.0 2 2 A G + 0 0 36 297,-0.1 298,-0.1 2,-0.0 294,-0.0 0.164 360.0 90.3 50.6 177.3 -12.3 44.4 -3.6 3 3 A F + 0 0 30 296,-0.1 2,-0.4 1,-0.1 293,-0.1 0.474 32.8 130.5-124.7 131.5 -9.4 45.2 -3.8 4 4 A R - 0 0 201 295,-0.1 2,-1.2 2,-0.0 -1,-0.1 -0.989 54.4-119.2-124.2 135.9 -6.3 43.5 -2.3 5 5 A K - 0 0 82 -2,-0.4 122,-0.3 122,-0.1 2,-0.3 -0.648 48.1-174.6 -70.0 102.0 -3.1 42.6 -4.2 6 6 A M - 0 0 82 -2,-1.2 2,-0.3 120,-0.1 120,-0.1 -0.676 19.2-138.1 -97.1 152.9 -3.4 38.8 -3.4 7 7 A A - 0 0 27 -2,-0.3 120,-0.1 118,-0.1 3,-0.1 -0.755 32.9 -97.2 -97.5 158.5 -0.9 36.2 -4.3 8 8 A F - 0 0 27 -2,-0.3 2,-0.3 142,-0.3 -1,-0.1 -0.199 55.5 -79.7 -59.4 157.2 -1.9 32.8 -5.6 9 9 A P - 0 0 102 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.565 40.7-149.5 -67.5 128.8 -2.1 29.9 -3.1 10 10 A S > + 0 0 14 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.229 68.3 100.9 -88.1 10.3 1.4 28.8 -2.5 11 11 A G H > S+ 0 0 45 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.935 77.6 52.1 -64.0 -49.1 0.6 25.1 -1.8 12 12 A K H 4 S+ 0 0 102 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.833 117.5 41.5 -59.5 -27.9 1.6 23.6 -5.1 13 13 A V H >4 S+ 0 0 0 -3,-0.2 3,-1.8 -4,-0.2 4,-0.3 0.825 100.7 66.4 -89.7 -38.5 5.0 25.4 -4.9 14 14 A E H >< S+ 0 0 88 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.873 98.0 58.7 -46.6 -43.6 5.8 24.8 -1.1 15 15 A G T 3< S+ 0 0 24 -4,-1.3 82,-0.3 1,-0.3 -1,-0.3 0.623 101.9 53.0 -66.7 -16.5 6.1 21.1 -2.0 16 16 A C T < S+ 0 0 0 -3,-1.8 15,-3.6 81,-0.1 2,-0.4 0.384 84.7 108.8 -99.0 2.5 8.8 21.7 -4.6 17 17 A M E < +A 30 0A 12 -3,-1.6 2,-0.3 -4,-0.3 13,-0.2 -0.690 40.3 161.5 -86.3 132.3 11.0 23.6 -2.2 18 18 A V E -A 29 0A 1 11,-2.0 11,-2.9 -2,-0.4 102,-0.4 -0.908 35.0-110.3-140.2 162.7 14.2 22.0 -1.0 19 19 A Q E -AB 28 69A 34 50,-1.4 50,-1.5 -2,-0.3 2,-0.4 -0.711 23.1-163.6 -98.9 150.4 17.6 23.1 0.5 20 20 A V E -AB 27 68A 0 7,-2.3 7,-1.7 -2,-0.3 2,-0.4 -0.975 5.0-173.6-139.1 121.3 20.9 23.0 -1.3 21 21 A T E -AB 26 67A 25 46,-2.3 46,-2.5 -2,-0.4 2,-0.5 -0.956 9.6-174.9-121.2 128.4 24.3 23.2 0.5 22 22 A C E > -A 25 0A 8 3,-2.9 2,-1.2 -2,-0.4 3,-1.1 -0.766 67.9 -66.2-123.2 85.3 27.7 23.5 -1.2 23 23 A G T 3 S- 0 0 69 -2,-0.5 20,-0.1 42,-0.5 19,-0.0 -0.633 123.8 -4.8 75.3 -99.1 30.3 23.3 1.5 24 24 A T T 3 S+ 0 0 117 -2,-1.2 2,-0.5 18,-0.1 -1,-0.2 0.331 117.7 89.0-109.2 0.7 29.6 26.5 3.5 25 25 A T E < -A 22 0A 30 -3,-1.1 -3,-2.9 17,-0.2 2,-0.4 -0.903 51.7-179.0-109.9 123.8 27.0 28.1 1.2 26 26 A T E +A 21 0A 46 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.970 14.7 136.1-125.9 141.9 23.3 27.3 1.7 27 27 A L E -A 20 0A 4 -7,-1.7 -7,-2.3 -2,-0.4 2,-0.2 -0.940 48.5 -76.2-166.8 174.0 20.2 28.5 -0.2 28 28 A N E -A 19 0A 0 117,-2.3 2,-0.3 -2,-0.3 -9,-0.2 -0.515 36.9-170.4 -89.8 151.6 16.9 27.2 -1.7 29 29 A G E -A 18 0A 0 -11,-2.9 -11,-2.0 -2,-0.2 2,-0.6 -0.912 24.5-115.2-136.2 166.7 16.3 25.2 -4.8 30 30 A L E -AC 17 37A 0 7,-3.5 7,-2.8 -2,-0.3 2,-0.9 -0.893 22.5-159.8-109.1 113.3 13.3 24.1 -6.9 31 31 A W E + C 0 36A 16 -15,-3.6 2,-0.4 -2,-0.6 5,-0.2 -0.789 22.0 160.9-100.0 99.7 12.7 20.3 -7.0 32 32 A L E > - C 0 35A 0 3,-1.7 3,-2.2 -2,-0.9 -2,-0.1 -0.979 63.3 -41.1-118.0 129.1 10.6 19.4 -10.0 33 33 A D T 3 S- 0 0 63 -2,-0.4 62,-2.2 62,-0.3 64,-0.1 -0.341 123.2 -23.7 53.7-129.6 10.5 15.8 -11.2 34 34 A D T 3 S+ 0 0 63 60,-0.3 57,-2.5 61,-0.1 2,-0.3 0.212 124.2 80.8 -95.3 13.1 14.0 14.4 -11.1 35 35 A T E < -CD 32 90A 5 -3,-2.2 -3,-1.7 55,-0.2 2,-0.5 -0.906 57.9-157.2-124.2 146.2 15.8 17.8 -11.3 36 36 A V E -CD 31 89A 0 53,-0.9 53,-2.2 -2,-0.3 2,-0.3 -0.973 13.1-160.3-123.3 119.4 16.6 20.5 -8.7 37 37 A Y E +CD 30 88A 17 -7,-2.8 -7,-3.5 -2,-0.5 51,-0.2 -0.758 21.4 151.6-100.0 145.7 17.2 24.0 -10.0 38 38 A C E - D 0 87A 0 49,-1.1 49,-2.3 -2,-0.3 -9,-0.1 -0.985 52.0 -71.4-162.6 163.3 19.0 26.7 -7.9 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.395 40.2-134.0 -64.1 139.3 21.2 29.8 -8.3 40 40 A R G > S+ 0 0 40 45,-2.9 3,-1.9 1,-0.3 4,-0.2 0.752 96.0 79.1 -67.9 -19.1 24.6 28.8 -9.6 41 41 A H G > + 0 0 25 44,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.422 63.5 89.7 -74.1 7.1 26.3 31.1 -7.0 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -17,-0.2 0.744 82.4 64.7 -67.9 -22.0 25.7 28.4 -4.3 43 43 A I G < S+ 0 0 15 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.704 93.6 83.7 -64.2 -25.2 29.2 27.4 -5.7 44 44 A C < - 0 0 5 -3,-1.1 2,-0.3 -4,-0.2 -22,-0.1 -0.431 61.6-149.7 -95.2 161.2 30.8 30.6 -4.5 45 45 A T > - 0 0 58 -2,-0.1 4,-1.9 -20,-0.0 3,-0.3 -0.850 45.1 -98.2-115.0 154.0 32.2 32.0 -1.2 46 46 A A H > S+ 0 0 83 -2,-0.3 4,-0.5 1,-0.3 -2,-0.0 0.739 130.9 52.3 -47.8 -25.6 32.1 35.7 -0.3 47 47 A E H >4 S+ 0 0 135 2,-0.2 3,-1.4 1,-0.1 -1,-0.3 0.955 104.9 52.3 -66.5 -57.4 35.6 35.7 -1.7 48 48 A D H 34 S+ 0 0 51 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.795 98.9 68.0 -50.1 -33.1 34.6 34.1 -5.0 49 49 A M H 3< S+ 0 0 32 -4,-1.9 2,-2.1 2,-0.1 140,-2.0 0.787 73.4 84.8 -68.8 -33.2 31.9 36.7 -5.5 50 50 A L S << S- 0 0 94 -3,-1.4 -1,-0.1 -4,-0.5 140,-0.1 -0.577 130.2 -31.1 -63.5 87.5 34.4 39.5 -6.1 51 51 A N S S- 0 0 140 -2,-2.1 -1,-0.3 138,-0.2 2,-0.2 0.982 87.1-170.6 56.6 83.2 34.6 38.5 -9.7 52 52 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.553 20.1-143.4 -95.4 161.8 34.1 34.6 -9.9 53 53 A N > - 0 0 80 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.975 12.0-170.8-126.3 117.4 34.5 32.2 -12.8 54 54 A Y H > S+ 0 0 11 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.811 82.9 58.5 -85.5 -33.4 31.9 29.5 -12.8 55 55 A E H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.972 115.2 42.2 -53.7 -51.3 33.2 27.2 -15.5 56 56 A D H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.962 115.4 46.9 -56.0 -56.5 36.3 27.1 -13.3 57 57 A L H < S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.4 48.1 -64.2 -27.1 34.5 26.8 -10.0 58 58 A L H >< S+ 0 0 20 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.750 100.7 59.4 -90.1 -27.9 32.2 24.1 -11.2 59 59 A I H 3< S+ 0 0 141 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.757 100.6 61.7 -68.7 -24.1 34.6 21.7 -12.9 60 60 A R T 3< S+ 0 0 169 -4,-1.0 2,-0.4 -5,-0.2 -1,-0.3 0.178 97.5 84.7 -81.9 16.7 36.2 21.5 -9.4 61 61 A K < - 0 0 66 -3,-1.2 2,-0.3 2,-0.0 -3,-0.0 -0.925 58.1-163.1-126.3 145.4 32.9 20.0 -8.2 62 62 A S > - 0 0 48 -2,-0.4 3,-2.9 17,-0.0 4,-0.4 -0.837 41.7 -97.9-119.0 164.2 31.4 16.6 -8.1 63 63 A N T 3 S+ 0 0 39 1,-0.3 14,-0.4 -2,-0.3 3,-0.2 0.573 122.9 57.1 -52.9 -11.9 27.8 15.3 -7.5 64 64 A H T 3 S+ 0 0 167 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.413 85.9 75.2-105.3 2.6 28.7 14.8 -3.9 65 65 A S S < S+ 0 0 31 -3,-2.9 2,-0.6 1,-0.1 -42,-0.5 0.591 88.5 75.6 -77.7 -13.6 29.7 18.4 -3.2 66 66 A F - 0 0 7 -4,-0.4 2,-0.6 -3,-0.2 11,-0.4 -0.894 66.3-161.8-106.8 114.8 26.0 19.2 -3.2 67 67 A L E -B 21 0A 61 -46,-2.5 -46,-2.3 -2,-0.6 2,-0.5 -0.855 11.4-172.9 -95.8 122.3 23.8 18.3 -0.2 68 68 A V E -BE 20 75A 0 7,-0.8 7,-2.9 -2,-0.6 2,-0.5 -0.951 3.3-173.6-118.4 123.9 20.1 18.3 -1.1 69 69 A Q E -BE 19 74A 44 -50,-1.5 2,-1.4 -2,-0.5 -50,-1.4 -0.898 15.9-166.5-126.7 107.0 17.4 17.8 1.5 70 70 A A S S- 0 0 25 3,-1.2 2,-0.4 -2,-0.5 3,-0.4 -0.678 82.5 -47.9 -82.5 87.8 13.7 17.4 0.8 71 71 A G S S- 0 0 61 -2,-1.4 -52,-0.1 1,-0.2 50,-0.0 -0.744 115.7 -35.4 80.7-131.9 12.5 18.0 4.3 72 72 A N S S+ 0 0 133 -2,-0.4 2,-0.6 2,-0.1 -1,-0.2 0.892 123.0 91.8 -80.8 -47.6 14.7 15.8 6.5 73 73 A V S S- 0 0 93 -3,-0.4 -3,-1.2 -4,-0.1 -1,-0.1 -0.266 77.1-141.4 -57.0 98.4 14.9 13.0 3.9 74 74 A Q E -E 69 0A 109 -2,-0.6 -5,-0.3 -5,-0.2 2,-0.3 -0.273 5.9-140.2 -64.3 141.4 18.0 13.9 1.9 75 75 A L E -E 68 0A 13 -7,-2.9 -7,-0.8 17,-0.0 2,-0.5 -0.700 11.9-131.8 -95.0 156.0 18.2 13.4 -1.8 76 76 A R - 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