==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2Z9G . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.C.LEE,A.H.WANG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 61.8 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 . 68 22.2 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.1 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 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 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 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 0 162 0, 0.0 213,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.2 -22.9 5.2 24.4 2 2 A G - 0 0 48 212,-0.1 2,-0.3 1,-0.1 281,-0.0 0.040 360.0-119.7 86.0 166.5 -19.4 6.5 24.7 3 3 A F + 0 0 22 279,-0.1 2,-0.3 297,-0.1 -1,-0.1 -0.897 31.6 170.2-152.1 117.6 -16.2 6.3 22.7 4 4 A R - 0 0 177 -2,-0.3 2,-1.5 2,-0.0 295,-0.0 -0.915 45.0-109.1-130.0 154.7 -12.9 4.8 23.8 5 5 A K - 0 0 87 -2,-0.3 2,-0.4 122,-0.1 122,-0.3 -0.691 55.0-177.2 -78.0 94.7 -9.6 3.9 22.3 6 6 A M - 0 0 81 -2,-1.5 2,-0.2 120,-0.1 120,-0.1 -0.824 17.3-149.1-105.9 142.8 -10.3 0.1 22.6 7 7 A A - 0 0 25 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.473 31.0 -93.2 -95.5 169.1 -7.9 -2.7 21.6 8 8 A F - 0 0 15 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.514 54.4 -85.9 -80.2 151.8 -8.9 -6.1 20.3 9 9 A P - 0 0 107 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.409 41.3-151.2 -57.5 132.1 -9.3 -8.9 22.9 10 10 A S >> + 0 0 17 1,-0.2 4,-2.5 2,-0.1 3,-1.3 0.466 65.1 104.0 -90.3 -2.6 -5.7 -10.2 23.3 11 11 A G H 3> S+ 0 0 46 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.868 78.5 52.9 -45.7 -50.9 -6.4 -13.9 24.2 12 12 A K H 34 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.793 115.4 42.2 -59.7 -28.1 -5.4 -15.3 20.8 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.2 2,-0.1 4,-0.5 0.822 103.9 63.6 -87.7 -34.3 -2.1 -13.5 20.9 14 14 A E H >< S+ 0 0 91 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.879 97.0 60.4 -56.4 -37.6 -1.3 -14.2 24.6 15 15 A G T 3< S+ 0 0 22 -4,-1.6 82,-0.3 1,-0.2 -1,-0.3 0.468 103.9 51.3 -71.3 0.9 -1.2 -17.9 23.7 16 16 A C T < S+ 0 0 0 -3,-2.2 15,-3.6 2,-0.0 2,-0.4 0.448 82.0 108.6-115.1 -4.4 1.6 -17.2 21.2 17 17 A M E < +A 30 0A 12 -3,-1.2 2,-0.2 -4,-0.5 54,-0.2 -0.613 39.1 160.4 -83.4 130.9 4.1 -15.3 23.4 18 18 A V E -A 29 0A 1 11,-2.3 11,-2.4 -2,-0.4 2,-0.4 -0.799 37.1-105.5-135.8 177.2 7.3 -17.0 24.5 19 19 A Q E -AB 28 69A 31 50,-2.8 50,-2.8 -2,-0.2 2,-0.4 -0.907 25.7-164.1-112.4 135.6 10.7 -16.1 25.8 20 20 A V E -AB 27 68A 0 7,-2.8 7,-2.2 -2,-0.4 2,-0.4 -0.977 6.9-173.0-121.7 132.0 13.9 -16.2 23.7 21 21 A T E +AB 26 67A 23 46,-2.7 46,-2.7 -2,-0.4 2,-0.4 -0.979 12.7 168.1-129.1 137.7 17.4 -16.2 25.2 22 22 A C E > S-AB 25 66A 4 3,-2.1 3,-2.1 -2,-0.4 2,-0.2 -0.962 71.3 -33.4-144.5 123.4 20.8 -15.9 23.6 23 23 A G T 3 S- 0 0 66 42,-0.5 22,-0.1 -2,-0.4 20,-0.1 -0.466 124.9 -30.4 64.4-126.0 23.8 -15.2 25.7 24 24 A T T 3 S+ 0 0 145 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.328 116.0 101.5-106.7 5.2 22.7 -13.0 28.5 25 25 A T E < -A 22 0A 46 -3,-2.1 -3,-2.1 17,-0.3 2,-0.4 -0.779 46.9-176.9 -96.3 133.1 19.9 -11.2 26.5 26 26 A T E +A 21 0A 49 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.992 15.0 145.0-128.6 134.6 16.3 -12.2 27.0 27 27 A L E -A 20 0A 4 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.2 -0.854 46.1 -70.4-151.0-174.3 13.3 -10.9 25.1 28 28 A N E -A 19 0A 0 117,-2.6 2,-0.3 -2,-0.2 -9,-0.2 -0.586 37.2-169.2 -91.8 151.5 10.0 -11.9 23.7 29 29 A G E -A 18 0A 0 -11,-2.4 -11,-2.3 -2,-0.2 2,-0.6 -0.923 21.4-125.9-133.9 157.8 9.2 -14.2 20.7 30 30 A L E -AC 17 37A 0 7,-2.8 7,-2.7 -2,-0.3 2,-0.7 -0.934 21.9-156.8-108.6 118.8 6.1 -15.0 18.7 31 31 A W E + C 0 36A 21 -15,-3.6 2,-0.5 -2,-0.6 5,-0.2 -0.836 21.1 163.4-103.0 107.0 5.3 -18.7 18.5 32 32 A L E > - C 0 35A 0 3,-2.3 3,-2.0 -2,-0.7 2,-0.1 -0.986 65.4 -41.7-124.0 123.7 3.1 -19.8 15.6 33 33 A D T 3 S- 0 0 69 -2,-0.5 62,-3.1 62,-0.3 64,-0.1 -0.414 124.5 -24.5 58.4-125.7 3.0 -23.4 14.5 34 34 A D T 3 S+ 0 0 60 60,-0.3 57,-2.3 -2,-0.1 2,-0.4 0.040 121.8 88.5-106.0 27.7 6.5 -24.7 14.8 35 35 A T E < -CD 32 90A 12 -3,-2.0 -3,-2.3 55,-0.2 2,-0.5 -0.966 55.6-158.5-128.3 142.1 8.3 -21.4 14.3 36 36 A V E -CD 31 89A 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.976 11.4-159.1-119.8 126.5 9.3 -18.7 16.8 37 37 A Y E +CD 30 88A 12 -7,-2.7 -7,-2.8 -2,-0.5 51,-0.2 -0.874 22.4 149.4-107.7 138.4 9.9 -15.1 15.6 38 38 A C E - D 0 87A 0 49,-1.5 49,-2.8 -2,-0.4 -9,-0.1 -0.982 52.1 -73.9-159.1 161.5 11.9 -12.5 17.5 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.3 0, 0.0 47,-0.2 -0.343 37.6-135.0 -58.8 137.6 14.2 -9.4 16.9 40 40 A R G > S+ 0 0 41 45,-2.3 3,-1.8 1,-0.3 46,-0.1 0.731 96.2 80.0 -70.0 -18.2 17.5 -10.5 15.5 41 41 A H G > + 0 0 38 44,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.481 65.0 91.9 -69.4 4.4 19.3 -8.1 17.9 42 42 A V G < S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.3 -17,-0.3 0.674 83.9 55.5 -69.2 -14.0 18.8 -10.8 20.5 43 43 A I G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.1 2,-0.2 0.453 85.6 106.5 -97.5 -1.4 22.3 -12.0 19.4 44 44 A C < - 0 0 8 -3,-1.4 2,-0.3 -4,-0.1 -22,-0.1 -0.497 50.8-161.9 -79.5 147.3 24.0 -8.7 20.0 45 45 A T >> - 0 0 79 -2,-0.2 3,-2.6 -22,-0.1 4,-1.0 -0.745 43.8 -85.4-117.6 169.3 26.4 -8.1 22.9 46 46 A A T 34 S+ 0 0 82 1,-0.3 3,-0.5 -2,-0.3 4,-0.3 0.813 128.3 48.2 -45.2 -42.3 27.5 -4.8 24.2 47 47 A E T 34 S+ 0 0 176 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.380 106.3 58.4 -85.6 6.9 30.4 -4.3 21.7 48 48 A D T <4 S+ 0 0 37 -3,-2.6 3,-0.3 2,-0.1 -1,-0.2 0.620 82.1 86.8-104.5 -19.7 28.2 -5.3 18.7 49 49 A M S < S+ 0 0 82 -4,-1.0 140,-2.6 -3,-0.5 -2,-0.1 0.845 85.7 48.4 -49.4 -50.5 25.6 -2.5 19.2 50 50 A L S S+ 0 0 112 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.874 134.7 2.6 -64.0 -41.6 27.2 0.3 17.3 51 51 A N S S+ 0 0 118 -3,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.467 80.1 175.0-148.2 69.5 28.1 -1.6 14.1 52 52 A P - 0 0 20 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.564 23.2-153.9 -82.6 140.2 26.8 -5.2 14.2 53 53 A N > - 0 0 93 -2,-0.2 4,-2.9 1,-0.2 3,-0.4 -0.867 11.1-170.1-110.3 92.4 27.1 -7.5 11.3 54 54 A Y H > S+ 0 0 13 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.808 83.3 57.6 -54.6 -33.1 24.2 -9.8 12.0 55 55 A E H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 112.4 40.5 -63.5 -46.5 25.3 -12.2 9.3 56 56 A D H > S+ 0 0 71 -3,-0.4 4,-0.9 1,-0.2 -2,-0.2 0.900 116.5 49.9 -67.9 -42.0 28.7 -12.6 10.9 57 57 A L H < S+ 0 0 22 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.0 47.2 -65.4 -35.5 27.2 -12.7 14.4 58 58 A L H >< S+ 0 0 17 -4,-2.5 3,-2.3 -5,-0.2 -2,-0.2 0.856 100.5 61.8 -76.8 -37.2 24.7 -15.4 13.4 59 59 A I H 3< S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.815 99.1 60.8 -59.3 -27.9 27.0 -17.8 11.6 60 60 A R T 3< S+ 0 0 177 -4,-0.9 -1,-0.3 -5,-0.1 2,-0.3 0.447 94.6 83.4 -78.7 -1.1 28.8 -18.2 14.9 61 61 A K < - 0 0 60 -3,-2.3 2,-0.2 2,-0.0 -3,-0.0 -0.713 60.3-159.5-104.7 156.1 25.6 -19.5 16.6 62 62 A S > - 0 0 34 -2,-0.3 3,-1.0 17,-0.0 4,-0.3 -0.600 41.5 -92.9-118.3-178.3 24.2 -23.0 16.6 63 63 A N G > S+ 0 0 52 1,-0.2 3,-1.1 -2,-0.2 14,-0.2 0.864 126.2 52.5 -67.1 -34.5 20.7 -24.2 17.3 64 64 A H G 3 S+ 0 0 168 1,-0.2 -1,-0.2 12,-0.1 14,-0.0 0.447 87.3 79.6 -81.9 1.2 21.5 -24.7 21.0 65 65 A S G < S+ 0 0 41 -3,-1.0 -42,-0.5 -43,-0.1 2,-0.4 0.663 89.9 71.8 -76.1 -15.6 22.8 -21.2 21.3 66 66 A F E < -B 22 0A 9 -3,-1.1 2,-0.5 -4,-0.3 11,-0.4 -0.865 66.4-164.1-107.7 134.1 19.1 -20.3 21.5 67 67 A L E -B 21 0A 80 -46,-2.7 -46,-2.7 -2,-0.4 2,-0.5 -0.967 6.1-170.6-118.0 120.6 16.9 -21.0 24.5 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.3 -2,-0.5 2,-0.5 -0.954 1.8-171.1-115.7 123.3 13.1 -20.8 23.9 69 69 A Q E -BE 19 74A 65 -50,-2.8 -50,-2.8 -2,-0.5 2,-0.7 -0.954 8.5-171.8-119.3 123.6 10.7 -20.9 26.9 70 70 A A E > - E 0 73A 17 3,-3.2 3,-1.8 -2,-0.5 2,-0.5 -0.904 67.7 -55.9-113.7 100.8 7.0 -21.3 26.6 71 71 A G T 3 S- 0 0 66 -2,-0.7 -52,-0.0 1,-0.3 50,-0.0 -0.552 121.3 -20.4 69.5-118.6 5.4 -20.8 30.0 72 72 A N T 3 S+ 0 0 162 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.068 123.5 94.1-108.5 21.1 7.1 -23.4 32.3 73 73 A V E < -E 70 0A 93 -3,-1.8 -3,-3.2 2,-0.0 2,-0.5 -0.928 66.9-138.7-119.4 139.9 8.1 -25.5 29.2 74 74 A Q E -E 69 0A 97 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.819 15.2-152.2 -97.6 130.2 11.4 -25.5 27.3 75 75 A L E -E 68 0A 9 -7,-3.3 -7,-0.9 -2,-0.5 2,-0.4 -0.876 13.0-131.9-103.9 131.0 11.2 -25.7 23.5 76 76 A R - 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