==== 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 26-AUG-08 3EAJ . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.H.SHI,S.JAYARAMAN,J.X.SONG . 604 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 21.7 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 . 13 2.2 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 . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 3 1 4 2 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 2 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 . 9 1 7 2 2 5 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 1 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 0 164 0, 0.0 2,-0.2 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0-150.4 16.7 42.5 2.2 2 2 A G - 0 0 30 297,-0.2 2,-0.3 2,-0.0 280,-0.0 -0.656 360.0-108.9-140.9-166.3 13.1 43.7 2.2 3 3 A F + 0 0 29 -2,-0.2 2,-0.4 279,-0.1 293,-0.0 -0.902 30.7 162.1-143.2 119.0 9.6 43.8 3.7 4 4 A R - 0 0 197 -2,-0.3 2,-1.0 295,-0.0 -2,-0.0 -0.999 46.1-114.5-130.2 128.6 6.4 42.3 2.2 5 5 A K - 0 0 86 -2,-0.4 122,-0.3 122,-0.1 2,-0.2 -0.500 51.3-170.6 -57.9 101.2 3.2 41.5 4.1 6 6 A M - 0 0 106 -2,-1.0 2,-0.3 120,-0.1 120,-0.1 -0.632 19.0-140.4 -98.9 157.9 3.4 37.8 3.6 7 7 A A - 0 0 31 -2,-0.2 120,-0.1 118,-0.1 3,-0.1 -0.849 33.1 -97.7-109.1 153.6 0.9 35.0 4.2 8 8 A F - 0 0 31 -2,-0.3 -1,-0.1 142,-0.2 2,-0.1 -0.306 54.3 -82.8 -61.4 148.9 1.8 31.6 5.6 9 9 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.386 40.6-149.3 -54.8 130.7 2.2 28.7 3.1 10 10 A S >> + 0 0 19 1,-0.2 4,-2.3 2,-0.1 3,-0.6 0.380 67.6 102.5 -90.2 1.1 -1.3 27.5 2.4 11 11 A G H 3> S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.917 77.6 49.9 -52.7 -56.2 -0.5 23.9 1.7 12 12 A K H 34 S+ 0 0 93 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.794 116.8 43.3 -57.5 -30.2 -1.5 22.3 5.0 13 13 A V H X> S+ 0 0 0 -3,-0.6 3,-2.3 -4,-0.2 4,-0.6 0.806 99.4 67.8 -87.1 -34.9 -4.9 24.1 4.9 14 14 A E H >< S+ 0 0 90 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.823 93.9 63.7 -53.6 -31.1 -5.7 23.5 1.2 15 15 A G T 3< S+ 0 0 19 -4,-1.1 82,-0.3 1,-0.2 -1,-0.3 0.335 102.4 48.5 -77.7 7.9 -6.0 19.8 2.2 16 16 A C T <4 S+ 0 0 0 -3,-2.3 15,-3.3 2,-0.1 2,-0.6 0.431 80.4 109.9-124.6 -8.4 -8.9 20.6 4.5 17 17 A M E << +A 30 0A 12 -3,-0.8 54,-0.2 -4,-0.6 2,-0.2 -0.623 40.9 162.5 -77.2 118.9 -11.1 22.7 2.2 18 18 A V E -A 29 0A 1 11,-2.7 11,-2.1 -2,-0.6 102,-0.4 -0.625 34.5-109.3-120.3-175.0 -14.3 20.9 1.1 19 19 A Q E -AB 28 69A 31 50,-2.0 50,-1.7 9,-0.2 2,-0.5 -0.945 20.2-161.6-122.3 139.6 -17.6 22.0 -0.3 20 20 A V E -AB 27 68A 0 7,-2.5 7,-1.6 -2,-0.4 2,-0.4 -0.917 7.8-176.2-127.4 109.0 -21.0 22.0 1.4 21 21 A T E +AB 26 67A 28 46,-3.5 46,-2.6 -2,-0.5 2,-0.4 -0.867 6.4 172.1-105.1 135.4 -24.2 22.2 -0.6 22 22 A C E > -A 25 0A 5 3,-3.0 3,-1.5 -2,-0.4 2,-0.2 -0.906 63.8 -49.2-144.6 108.1 -27.6 22.4 1.0 23 23 A G T 3 S- 0 0 70 -2,-0.4 20,-0.0 42,-0.3 22,-0.0 -0.448 123.9 -16.7 62.0-127.9 -30.6 23.0 -1.2 24 24 A T T 3 S+ 0 0 123 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.179 122.0 92.9 -92.1 17.6 -29.9 25.9 -3.6 25 25 A T E < +A 22 0A 30 -3,-1.5 -3,-3.0 17,-0.2 2,-0.4 -0.949 48.7 178.6-123.9 123.7 -27.0 27.0 -1.5 26 26 A T E +A 21 0A 50 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.960 14.2 139.7-123.5 141.3 -23.3 26.1 -1.8 27 27 A L E -A 20 0A 4 -7,-1.6 -7,-2.5 -2,-0.4 2,-0.3 -0.840 46.1 -67.1-155.3-163.2 -20.2 27.3 0.2 28 28 A N E -A 19 0A 0 117,-2.3 2,-0.3 -2,-0.2 -9,-0.2 -0.750 36.8-166.1-105.1 145.4 -16.9 26.2 1.7 29 29 A G E -A 18 0A 0 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.7 -0.921 19.8-128.1-129.5 156.5 -16.3 23.9 4.7 30 30 A L E -AC 17 37A 0 7,-2.7 7,-2.6 -2,-0.3 2,-0.8 -0.879 22.1-160.2-109.8 108.0 -13.4 23.0 6.9 31 31 A W E + C 0 36A 18 -15,-3.3 2,-0.4 -2,-0.7 5,-0.2 -0.765 21.4 159.5 -98.7 105.9 -12.6 19.3 7.2 32 32 A L E > - C 0 35A 0 3,-2.1 3,-1.7 -2,-0.8 2,-0.3 -0.984 67.6 -36.9-126.9 120.6 -10.6 18.3 10.2 33 33 A D T 3 S- 0 0 65 -2,-0.4 62,-0.9 62,-0.3 64,-0.1 -0.548 121.9 -31.8 66.2-124.9 -10.7 14.6 11.3 34 34 A D T 3 S+ 0 0 55 -2,-0.3 57,-2.1 60,-0.2 2,-0.4 0.248 120.7 90.3-109.8 10.1 -14.3 13.4 10.8 35 35 A T E < -CD 32 90A 12 -3,-1.7 -3,-2.1 55,-0.2 2,-0.5 -0.892 57.4-159.8-106.6 136.7 -15.9 16.8 11.5 36 36 A V E -CD 31 89A 0 53,-2.1 53,-1.9 -2,-0.4 -5,-0.2 -0.970 12.3-161.0-114.2 117.9 -16.7 19.3 8.7 37 37 A Y E +CD 30 88A 11 -7,-2.6 -7,-2.7 -2,-0.5 51,-0.2 -0.601 22.0 145.3 -94.1 155.8 -17.2 22.9 10.0 38 38 A C E - D 0 87A 0 49,-0.9 49,-2.4 -9,-0.2 -9,-0.1 -0.955 53.8 -66.3-176.0 166.5 -19.0 25.7 8.0 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.1 0, 0.0 47,-0.2 -0.410 40.7-134.7 -66.9 142.6 -21.2 28.7 8.4 40 40 A R G > S+ 0 0 38 45,-3.0 3,-1.7 1,-0.3 46,-0.1 0.683 95.3 79.5 -73.5 -16.2 -24.7 27.8 9.6 41 41 A H G > + 0 0 15 44,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.431 64.6 94.0 -73.7 6.6 -26.4 30.0 7.1 42 42 A V G < S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.3 -20,-0.2 0.783 81.9 56.5 -64.2 -25.1 -25.8 27.3 4.5 43 43 A I G < S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.2 0.417 95.3 90.5 -86.0 0.9 -29.3 26.1 5.5 44 44 A C < - 0 0 4 -3,-1.6 2,-0.4 -4,-0.1 -22,-0.1 -0.545 59.0-153.7 -98.5 165.1 -30.8 29.5 4.6 45 45 A T > - 0 0 52 -2,-0.2 3,-4.3 1,-0.0 4,-0.1 -0.947 43.7 -80.5-142.8 115.9 -32.3 30.8 1.3 46 46 A A T >> S+ 0 0 80 -2,-0.4 3,-1.1 1,-0.3 4,-0.5 0.073 130.1 33.9 39.6 -91.8 -32.5 34.4 0.1 47 47 A E H 3> S+ 0 0 136 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.527 107.2 72.2 -75.0 -5.0 -35.6 35.6 2.0 48 48 A D H X4 S+ 0 0 39 -3,-4.3 3,-1.0 1,-0.2 -1,-0.3 0.890 92.2 58.5 -66.4 -41.0 -34.5 33.3 4.9 49 49 A M H <4 S+ 0 0 18 -3,-1.1 140,-1.4 1,-0.3 -2,-0.2 0.799 85.1 76.3 -59.7 -33.9 -31.8 35.9 5.5 50 50 A L H 3< S- 0 0 115 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.892 130.2 -17.5 -47.0 -44.9 -34.3 38.7 6.0 51 51 A N S << S- 0 0 120 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 -0.340 81.1-168.7-162.4 78.8 -34.9 37.1 9.5 52 52 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.336 14.6-158.1 -68.9 143.3 -33.7 33.5 9.9 53 53 A N > - 0 0 80 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.932 9.3-168.4-114.8 105.5 -34.6 31.4 12.9 54 54 A Y H > S+ 0 0 6 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.713 82.2 58.5 -70.8 -21.2 -31.9 28.9 12.8 55 55 A E H > S+ 0 0 110 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.965 114.4 36.0 -69.5 -53.4 -33.6 26.6 15.4 56 56 A D H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.982 118.1 51.4 -58.1 -60.3 -36.7 26.2 13.2 57 57 A L H < S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 114.8 43.2 -49.1 -38.2 -34.7 26.2 9.9 58 58 A L H >< S+ 0 0 17 -4,-1.6 3,-2.1 -5,-0.2 -1,-0.2 0.838 102.4 63.7 -81.6 -35.0 -32.4 23.5 11.2 59 59 A I H 3< S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 97.9 61.3 -58.0 -25.9 -35.0 21.3 12.8 60 60 A R T 3< S+ 0 0 170 -4,-1.3 -1,-0.3 -5,-0.1 2,-0.3 0.238 97.8 76.1 -86.8 13.1 -36.4 20.8 9.3 61 61 A K < - 0 0 71 -3,-2.1 2,-0.3 3,-0.0 3,-0.0 -0.838 56.7-167.5-122.2 161.0 -33.2 19.2 8.1 62 62 A S > - 0 0 57 -2,-0.3 3,-2.4 1,-0.0 4,-0.2 -0.860 46.0 -89.5-135.1 172.5 -31.5 15.8 8.4 63 63 A N G > S+ 0 0 41 1,-0.3 3,-1.8 -2,-0.3 14,-0.2 0.895 125.4 59.8 -46.1 -45.0 -28.0 14.4 7.7 64 64 A H G 3 S+ 0 0 182 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.578 91.1 69.4 -64.9 -12.3 -29.3 13.6 4.2 65 65 A S G < S+ 0 0 37 -3,-2.4 2,-0.6 1,-0.1 -42,-0.3 0.423 87.4 75.6 -89.0 4.3 -30.0 17.3 3.5 66 66 A F < - 0 0 5 -3,-1.8 2,-0.7 -4,-0.2 11,-0.4 -0.918 61.7-167.5-119.1 107.8 -26.2 18.2 3.4 67 67 A L E -B 21 0A 63 -46,-2.6 -46,-3.5 -2,-0.6 2,-0.4 -0.827 12.5-179.5 -90.9 117.9 -24.2 17.2 0.4 68 68 A V E -BE 20 75A 0 7,-0.7 7,-2.5 -2,-0.7 2,-0.4 -0.962 7.2-166.6-121.2 137.3 -20.4 17.6 1.0 69 69 A Q E -BE 19 74A 50 -50,-1.7 -50,-2.0 -2,-0.4 2,-0.8 -0.975 15.1-158.9-124.7 130.6 -17.7 16.9 -1.5 70 70 A A E > S- E 0 73A 21 3,-1.2 3,-0.9 -2,-0.4 2,-0.5 -0.887 80.9 -45.5-103.4 99.2 -13.9 16.5 -0.9 71 71 A G T 3 S- 0 0 67 -2,-0.8 -52,-0.1 1,-0.3 -2,-0.0 -0.697 122.0 -30.7 74.2-125.8 -12.6 17.2 -4.4 72 72 A N T 3 S+ 0 0 145 -2,-0.5 -1,-0.3 -3,-0.1 -2,-0.0 0.779 122.2 99.3 -86.8 -32.1 -14.9 15.2 -6.7 73 73 A V E < S-E 70 0A 84 -3,-0.9 -3,-1.2 -4,-0.1 2,-0.4 -0.007 71.0-127.6 -53.5 154.7 -15.4 12.5 -3.9 74 74 A Q E -E 69 0A 126 -5,-0.2 2,-0.4 -7,-0.0 -5,-0.2 -0.919 13.1-154.1-110.0 132.5 -18.5 12.5 -1.7 75 75 A L E -E 68 0A 8 -7,-2.5 -7,-0.7 -2,-0.4 2,-0.6 -0.816 16.4-132.1-100.7 147.1 -18.5 12.4 2.0 76 76 A R - 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