==== 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 3EA8 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.H.SHI,S.JAYARAMAN,J.X.SONG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 63.7 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 . 70 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 . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 17.0 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 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 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 0 169 0, 0.0 2,-0.0 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 174.0 16.0 -31.8 2.4 2 2 A G - 0 0 43 212,-0.1 2,-0.3 1,-0.1 280,-0.0 -0.068 360.0-125.8 90.4 164.4 12.5 -30.6 1.4 3 3 A F + 0 0 30 279,-0.1 2,-0.3 297,-0.1 -1,-0.1 -0.933 30.5 166.8-152.0 126.5 9.2 -30.8 3.3 4 4 A R - 0 0 195 -2,-0.3 2,-1.2 2,-0.0 295,-0.0 -0.957 49.0 -95.7-140.1 153.4 5.9 -32.3 2.1 5 5 A K - 0 0 91 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.605 56.7-164.6 -62.7 100.6 2.5 -33.4 3.3 6 6 A M - 0 0 73 -2,-1.2 2,-0.2 120,-0.1 120,-0.1 -0.845 11.9-159.9-103.3 127.4 3.5 -37.0 3.7 7 7 A A - 0 0 31 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.638 28.5-103.5 -94.2 157.2 1.1 -39.8 4.1 8 8 A F - 0 0 22 -2,-0.2 -1,-0.1 142,-0.2 142,-0.0 -0.479 50.7 -85.5 -72.8 147.2 1.9 -43.2 5.5 9 9 A P - 0 0 101 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.366 40.7-150.3 -53.5 133.9 2.3 -46.1 3.1 10 10 A S >> + 0 0 17 1,-0.2 4,-2.5 2,-0.1 3,-0.6 0.357 65.6 103.2 -96.0 5.4 -1.2 -47.3 2.5 11 11 A G H 3> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 78.0 51.5 -55.9 -52.8 -0.5 -51.0 1.8 12 12 A K H 34 S+ 0 0 98 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.803 116.5 43.7 -56.8 -28.3 -1.5 -52.5 5.2 13 13 A V H X4 S+ 0 0 0 -3,-0.6 3,-2.4 2,-0.2 4,-0.5 0.851 102.9 61.9 -87.7 -36.8 -4.8 -50.7 4.9 14 14 A E H >< S+ 0 0 89 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.887 97.1 62.8 -54.7 -38.1 -5.6 -51.4 1.3 15 15 A G T 3< S+ 0 0 19 -4,-1.6 -1,-0.3 1,-0.2 82,-0.3 0.528 102.6 51.0 -64.9 -5.9 -5.7 -55.0 2.2 16 16 A C T < S+ 0 0 0 -3,-2.4 15,-3.3 81,-0.0 2,-0.3 0.481 81.6 109.8-110.2 -6.1 -8.6 -54.3 4.6 17 17 A M E < +A 30 0A 14 -3,-1.4 2,-0.3 -4,-0.5 13,-0.2 -0.566 38.7 165.2 -82.4 134.0 -11.1 -52.5 2.3 18 18 A V E -A 29 0A 1 11,-2.1 11,-2.4 -2,-0.3 2,-0.4 -0.839 35.2-109.2-134.6 174.4 -14.3 -54.1 1.2 19 19 A Q E -AB 28 69A 37 50,-2.6 50,-2.1 -2,-0.3 2,-0.5 -0.888 26.6-164.8-107.3 134.9 -17.6 -53.2 -0.4 20 20 A V E -AB 27 68A 0 7,-3.0 7,-2.4 -2,-0.4 2,-0.4 -0.985 6.9-176.5-125.2 125.2 -20.8 -53.3 1.7 21 21 A T E +AB 26 67A 23 46,-2.1 46,-2.5 -2,-0.5 2,-0.4 -0.964 10.3 174.4-122.7 137.0 -24.2 -53.3 0.1 22 22 A C E > -AB 25 66A 6 3,-2.3 3,-2.2 -2,-0.4 2,-0.4 -0.949 68.7 -47.4-140.5 117.8 -27.6 -53.2 1.7 23 23 A G T 3 S- 0 0 73 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.421 125.2 -16.9 57.8-112.1 -30.6 -52.8 -0.5 24 24 A T T 3 S+ 0 0 128 -2,-0.4 2,-0.5 20,-0.1 -1,-0.3 0.358 117.6 90.3-107.6 0.9 -29.8 -50.0 -2.9 25 25 A T E < -A 22 0A 38 -3,-2.2 -3,-2.3 17,-0.3 2,-0.4 -0.875 49.2-176.7-106.6 130.3 -26.9 -48.4 -1.0 26 26 A T E +A 21 0A 49 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.990 15.9 146.7-123.4 133.9 -23.2 -49.4 -1.5 27 27 A L E -A 20 0A 4 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.2 -0.860 46.1 -76.5-149.5-176.8 -20.3 -48.0 0.5 28 28 A N E -A 19 0A 0 117,-2.7 2,-0.3 -2,-0.3 -9,-0.2 -0.586 38.2-169.1 -92.4 149.9 -16.9 -49.1 1.9 29 29 A G E -A 18 0A 0 -11,-2.4 -11,-2.1 -2,-0.2 2,-0.6 -0.892 22.1-121.6-129.3 166.6 -16.2 -51.2 4.9 30 30 A L E -AC 17 37A 0 7,-3.1 7,-3.0 -2,-0.3 2,-0.8 -0.939 21.8-158.3-114.1 117.4 -13.2 -52.1 7.0 31 31 A W E + C 0 36A 20 -15,-3.3 2,-0.4 -2,-0.6 5,-0.2 -0.821 21.5 161.3-102.5 102.9 -12.4 -55.9 7.2 32 32 A L E > - C 0 35A 1 3,-2.2 3,-2.5 -2,-0.8 -2,-0.1 -0.988 65.6 -39.3-122.5 132.8 -10.3 -56.8 10.2 33 33 A D T 3 S- 0 0 68 -2,-0.4 62,-2.3 62,-0.3 64,-0.1 -0.323 124.6 -26.1 48.9-122.1 -10.2 -60.5 11.4 34 34 A D T 3 S+ 0 0 64 60,-0.2 57,-2.9 58,-0.1 2,-0.4 0.085 121.6 88.1-108.3 22.9 -13.7 -61.8 11.1 35 35 A T E < -CD 32 90A 17 -3,-2.5 -3,-2.2 55,-0.2 2,-0.5 -0.950 56.2-157.7-123.8 140.5 -15.5 -58.4 11.4 36 36 A V E -CD 31 89A 0 53,-2.2 53,-3.0 -2,-0.4 2,-0.4 -0.982 13.4-159.3-114.0 124.0 -16.4 -55.8 8.8 37 37 A Y E +CD 30 88A 14 -7,-3.0 -7,-3.1 -2,-0.5 51,-0.2 -0.885 23.2 150.5-103.3 133.0 -17.0 -52.3 10.1 38 38 A C E - D 0 87A 0 49,-1.9 49,-3.2 -2,-0.4 2,-0.2 -0.947 51.5 -77.1-149.7 168.1 -19.0 -49.7 8.1 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.525 37.7-133.9 -67.6 136.0 -21.2 -46.7 8.6 40 40 A R G > S+ 0 0 28 45,-2.3 3,-2.1 1,-0.3 46,-0.1 0.717 95.8 80.2 -67.0 -20.6 -24.7 -47.7 9.8 41 41 A H G > + 0 0 26 44,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.498 67.5 88.7 -70.4 3.0 -26.4 -45.4 7.3 42 42 A V G < S+ 0 0 0 -3,-1.4 -17,-0.3 1,-0.2 -1,-0.3 0.704 83.4 57.9 -64.6 -19.6 -25.8 -48.1 4.8 43 43 A I G < S+ 0 0 8 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.346 92.7 95.6 -92.6 6.5 -29.2 -49.4 5.9 44 44 A C < - 0 0 6 -3,-1.4 2,-0.2 -4,-0.1 -22,-0.1 -0.722 62.5-143.2-102.0 148.1 -31.0 -46.2 5.1 45 45 A T > - 0 0 59 -2,-0.3 4,-1.8 1,-0.1 3,-0.1 -0.577 42.4 -95.2 -90.3 166.3 -33.0 -45.1 2.0 46 46 A A T 4 S+ 0 0 93 1,-0.2 4,-0.4 -2,-0.2 3,-0.2 0.890 128.6 39.4 -48.2 -48.5 -32.8 -41.5 0.8 47 47 A E T >4 S+ 0 0 152 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.765 105.6 67.3 -78.3 -26.2 -35.9 -40.5 2.7 48 48 A D G >4 S+ 0 0 42 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.922 92.2 63.0 -52.0 -45.5 -34.9 -42.7 5.7 49 49 A M G 3< S+ 0 0 37 -4,-1.8 140,-2.6 1,-0.3 -1,-0.2 0.745 85.6 72.9 -56.6 -27.3 -32.0 -40.2 6.2 50 50 A L G < S- 0 0 108 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.842 129.0 -11.1 -60.5 -32.0 -34.4 -37.4 6.9 51 51 A N S < S- 0 0 134 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 -0.266 83.8-177.5-165.0 70.1 -35.2 -39.0 10.3 52 52 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.359 21.7-156.4 -78.1 149.5 -33.9 -42.5 10.7 53 53 A N > - 0 0 87 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.913 12.7-170.4-115.7 100.1 -34.4 -44.7 13.7 54 54 A Y H > S+ 0 0 4 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.840 84.0 53.0 -63.5 -34.8 -31.4 -47.0 13.3 55 55 A E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.960 114.3 43.0 -62.9 -47.6 -32.6 -49.3 16.0 56 56 A D H > S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.878 116.1 47.8 -66.5 -38.1 -35.9 -49.6 14.3 57 57 A L H < S+ 0 0 21 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.6 49.5 -72.3 -33.4 -34.4 -49.9 10.8 58 58 A L H >< S+ 0 0 19 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.843 100.5 60.4 -78.9 -35.2 -31.8 -52.5 11.8 59 59 A I H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 99.5 62.1 -61.6 -25.3 -34.2 -55.0 13.6 60 60 A R T 3< S+ 0 0 176 -4,-0.6 2,-0.3 -3,-0.2 -1,-0.3 0.410 97.3 75.1 -80.8 -0.4 -36.0 -55.2 10.2 61 61 A K < - 0 0 63 -3,-2.0 2,-0.2 2,-0.0 -18,-0.0 -0.834 63.2-156.1-116.2 154.9 -32.9 -56.6 8.6 62 62 A S > - 0 0 35 -2,-0.3 3,-2.2 17,-0.0 4,-0.4 -0.706 39.9 -92.6-118.3 173.0 -31.2 -60.0 8.7 63 63 A N G > S+ 0 0 49 1,-0.3 3,-1.3 -2,-0.2 14,-0.2 0.854 126.1 54.2 -52.3 -38.8 -27.6 -61.3 8.1 64 64 A H G 3 S+ 0 0 171 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.507 88.2 80.1 -80.6 -1.6 -28.5 -62.0 4.4 65 65 A S G < S+ 0 0 38 -3,-2.2 -42,-0.6 -43,-0.1 2,-0.4 0.699 87.6 69.2 -69.5 -20.5 -29.6 -58.4 4.1 66 66 A F E < -B 22 0A 12 -3,-1.3 2,-0.5 -4,-0.4 11,-0.3 -0.819 64.8-162.9-106.2 139.7 -25.9 -57.4 3.7 67 67 A L E -B 21 0A 53 -46,-2.5 -46,-2.1 -2,-0.4 2,-0.6 -0.961 8.3-170.8-122.2 113.3 -23.6 -58.2 0.8 68 68 A V E -BE 20 75A 0 7,-0.8 7,-2.9 -2,-0.5 2,-0.5 -0.911 2.4-172.6-107.2 122.1 -19.9 -57.9 1.5 69 69 A Q E -BE 19 74A 52 -50,-2.1 -50,-2.6 -2,-0.6 2,-0.6 -0.953 12.4-170.8-115.7 130.2 -17.4 -58.2 -1.4 70 70 A A E > S- E 0 73A 24 3,-3.1 3,-2.1 -2,-0.5 2,-0.7 -0.933 73.7 -53.6-114.8 103.2 -13.7 -58.3 -1.1 71 71 A G T 3 S- 0 0 64 -2,-0.6 -52,-0.0 1,-0.3 50,-0.0 -0.550 123.4 -21.1 62.2-110.5 -12.4 -58.0 -4.7 72 72 A N T 3 S+ 0 0 167 -2,-0.7 2,-0.5 -3,-0.1 -1,-0.3 0.536 120.4 93.3-104.4 -9.4 -14.3 -60.7 -6.5 73 73 A V E < -E 70 0A 90 -3,-2.1 -3,-3.1 1,-0.0 2,-0.5 -0.740 65.2-142.0 -98.2 127.6 -15.1 -62.8 -3.4 74 74 A Q E -E 69 0A 129 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.725 15.6-146.2 -83.2 128.3 -18.4 -62.5 -1.5 75 75 A L E -E 68 0A 11 -7,-2.9 -7,-0.8 -2,-0.5 2,-0.5 -0.812 17.4-121.9 -95.6 135.3 -17.9 -62.9 2.3 76 76 A R - 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