==== 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 20-SEP-07 2Z9K . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.C.LEE,A.H.WANG . 611 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 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 . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 1 3 3 3 0 0 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 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 PARALLEL BRIDGES PER LADDER . 8 0 6 4 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 1 A S 0 0 41 0, 0.0 445,-1.7 0, 0.0 475,-0.1 0.000 360.0 360.0 360.0 -16.3 44.5 -58.5 -31.0 2 2 A G - 0 0 33 443,-0.2 2,-0.4 212,-0.1 443,-0.1 0.222 360.0-106.9 73.5 164.6 43.5 -57.8 -27.4 3 3 A F + 0 0 30 279,-0.2 2,-0.4 441,-0.1 -1,-0.1 -0.990 34.7 178.6-133.8 120.8 40.6 -55.9 -25.8 4 4 A R - 0 0 32 -2,-0.4 2,-0.9 441,-0.0 440,-0.0 -0.957 36.2-119.3-124.7 141.5 41.3 -52.6 -24.1 5 5 A K - 0 0 62 -2,-0.4 2,-0.3 122,-0.0 122,-0.2 -0.727 50.9-175.8 -76.2 111.4 38.8 -50.3 -22.4 6 6 A M - 0 0 28 -2,-0.9 2,-0.2 426,-0.1 426,-0.2 -0.807 22.4-134.9-116.4 159.4 39.3 -47.3 -24.7 7 7 A A B -A 431 0A 6 424,-2.8 424,-2.5 -2,-0.3 120,-0.1 -0.607 34.1 -95.3-101.5 164.8 38.1 -43.8 -24.8 8 8 A F - 0 0 5 422,-0.2 422,-0.2 -2,-0.2 -1,-0.1 -0.466 55.1 -86.0 -74.8 151.9 36.9 -41.9 -27.8 9 9 A P - 0 0 3 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.419 43.4-152.6 -57.6 134.1 39.5 -39.7 -29.5 10 10 A S >> + 0 0 0 1,-0.2 4,-2.5 2,-0.1 3,-1.2 0.480 64.7 102.7 -93.6 -2.9 39.2 -36.5 -27.5 11 11 A G H 3> S+ 0 0 17 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.865 78.1 54.3 -46.4 -50.0 40.3 -33.9 -30.1 12 12 A K H 34 S+ 0 0 70 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.790 115.1 41.0 -58.9 -29.3 36.8 -32.6 -30.9 13 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.1 2,-0.2 4,-0.4 0.828 105.9 61.6 -87.5 -36.8 36.2 -31.9 -27.2 14 14 A E H >< S+ 0 0 30 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.872 98.4 60.1 -56.4 -37.4 39.6 -30.5 -26.4 15 15 A G T 3< S+ 0 0 17 -4,-1.8 82,-0.3 1,-0.2 -1,-0.3 0.544 104.4 50.5 -69.9 -5.2 38.9 -27.7 -28.9 16 16 A C T < S+ 0 0 0 -3,-2.1 15,-3.4 81,-0.1 2,-0.3 0.419 84.7 107.9-110.5 -2.5 35.9 -26.7 -26.8 17 17 A M E < +I 30 0B 14 -3,-1.3 2,-0.3 -4,-0.4 54,-0.2 -0.625 39.2 161.1 -85.3 134.2 37.5 -26.4 -23.4 18 18 A V E -I 29 0B 2 11,-2.3 11,-2.5 -2,-0.3 2,-0.4 -0.861 37.6-105.7-139.2 173.3 38.1 -23.0 -21.8 19 19 A Q E -IJ 28 69B 32 50,-2.8 50,-2.7 -2,-0.3 2,-0.5 -0.877 25.7-163.8-106.4 135.0 38.7 -21.5 -18.3 20 20 A V E -IJ 27 68B 0 7,-3.2 7,-2.5 -2,-0.4 2,-0.4 -0.981 8.7-175.2-121.3 122.9 36.0 -19.6 -16.5 21 21 A T E +IJ 26 67B 22 46,-2.6 46,-3.0 -2,-0.5 2,-0.4 -0.957 12.0 176.3-122.1 138.0 37.0 -17.4 -13.6 22 22 A C E > -IJ 25 66B 4 3,-2.9 3,-2.2 -2,-0.4 2,-0.4 -0.895 68.6 -51.8-139.2 103.8 34.7 -15.5 -11.2 23 23 A G T 3 S- 0 0 64 42,-0.6 22,-0.1 -2,-0.4 20,-0.0 -0.521 123.9 -18.1 68.0-121.3 36.5 -13.7 -8.4 24 24 A T T 3 S+ 0 0 120 -2,-0.4 2,-0.6 20,-0.2 -1,-0.3 0.465 118.8 97.7 -96.1 -3.9 38.7 -16.3 -6.8 25 25 A T E < +I 22 0B 29 -3,-2.2 -3,-2.9 17,-0.2 2,-0.4 -0.768 49.3 178.3 -93.3 122.4 36.8 -19.2 -8.2 26 26 A T E +I 21 0B 48 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.979 12.3 140.6-126.4 133.7 38.2 -20.9 -11.4 27 27 A L E -I 20 0B 4 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.3 -0.834 46.5 -74.0-150.6-172.0 36.9 -23.9 -13.2 28 28 A N E -I 19 0B 0 117,-2.6 2,-0.3 -2,-0.2 -9,-0.2 -0.649 35.4-166.5 -98.1 152.1 36.3 -25.3 -16.7 29 29 A G E -I 18 0B 0 -11,-2.5 -11,-2.3 -2,-0.3 2,-0.6 -0.945 20.3-127.7-134.7 154.7 33.7 -24.3 -19.3 30 30 A L E -IK 17 37B 0 7,-2.9 7,-2.8 -2,-0.3 2,-0.7 -0.921 22.2-158.2-106.2 116.5 32.5 -25.8 -22.6 31 31 A W E + K 0 36B 21 -15,-3.4 2,-0.4 -2,-0.6 5,-0.2 -0.851 20.1 164.6-101.5 108.7 32.6 -23.4 -25.5 32 32 A L E > - K 0 35B 1 3,-2.4 3,-2.0 -2,-0.7 -2,-0.1 -0.994 66.5 -40.1-126.3 123.9 30.2 -24.3 -28.4 33 33 A D T 3 S- 0 0 72 -2,-0.4 62,-2.5 62,-0.3 64,-0.1 -0.366 125.1 -25.4 53.8-132.4 29.4 -21.6 -31.0 34 34 A D T 3 S+ 0 0 55 60,-0.3 57,-2.3 -3,-0.1 2,-0.4 0.080 120.9 88.4-100.3 29.7 29.0 -18.4 -29.0 35 35 A T E < -KL 32 90B 15 -3,-2.0 -3,-2.4 55,-0.2 2,-0.5 -0.969 55.9-158.2-127.3 140.0 28.0 -19.9 -25.6 36 36 A V E -KL 31 89B 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.977 12.5-159.8-117.3 121.0 30.2 -21.1 -22.7 37 37 A Y E +KL 30 88B 17 -7,-2.8 -7,-2.9 -2,-0.5 51,-0.2 -0.842 23.3 149.0-101.5 136.3 28.6 -23.6 -20.4 38 38 A C E - L 0 87B 0 49,-1.6 49,-2.8 -2,-0.4 -9,-0.1 -0.979 52.9 -72.1-158.1 163.9 29.9 -24.2 -16.9 39 39 A P E > - L 0 86B 0 0, 0.0 3,-1.2 0, 0.0 47,-0.2 -0.378 39.8-133.6 -60.8 136.3 28.7 -25.2 -13.3 40 40 A R G > S+ 0 0 42 45,-2.1 3,-1.8 1,-0.3 46,-0.1 0.775 96.5 79.2 -64.7 -24.6 26.8 -22.3 -11.8 41 41 A H G > + 0 0 22 44,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.376 64.5 93.5 -68.4 11.9 28.7 -22.7 -8.5 42 42 A V G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -17,-0.2 0.670 78.9 61.4 -74.3 -14.8 31.5 -20.7 -10.2 43 43 A I G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.1 2,-0.1 0.186 97.9 83.7 -93.8 15.9 29.9 -17.7 -8.6 44 44 A C < - 0 0 5 -3,-1.3 2,-0.2 8,-0.0 -20,-0.2 -0.443 61.1-149.6-110.0-176.1 30.5 -19.2 -5.1 45 45 A T > - 0 0 72 -2,-0.1 4,-0.9 -22,-0.1 -2,-0.0 -0.786 47.6 -79.3-140.7 179.3 33.2 -19.4 -2.5 46 46 A A T >4 S+ 0 0 82 -2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.946 135.9 37.4 -50.4 -53.0 34.2 -22.0 0.1 47 47 A E G >4 S+ 0 0 133 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.764 105.5 70.5 -70.6 -27.8 31.4 -20.7 2.4 48 48 A D G >4 S+ 0 0 46 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.657 91.7 59.5 -65.6 -16.6 29.0 -20.1 -0.5 49 49 A M G << S+ 0 0 34 -3,-0.9 140,-2.3 -4,-0.9 -1,-0.2 0.783 88.4 70.9 -83.1 -27.5 28.6 -23.8 -1.1 50 50 A L G < S- 0 0 76 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.377 125.5 -3.7 -72.3 4.8 27.2 -24.6 2.4 51 51 A N S < S- 0 0 118 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.2 0.191 83.8-172.1 171.7 46.3 23.9 -22.8 1.7 52 52 A P - 0 0 26 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.162 23.8-168.8 -64.8 148.8 23.7 -21.1 -1.8 53 53 A N >> + 0 0 86 1,-0.1 4,-2.8 -5,-0.1 3,-0.7 -0.654 15.3 175.6-127.4 66.3 21.0 -18.9 -3.2 54 54 A Y H 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.810 77.0 62.2 -44.5 -37.7 22.3 -18.9 -6.8 55 55 A E H 3> S+ 0 0 145 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.967 113.0 33.7 -54.2 -56.8 19.3 -16.8 -7.7 56 56 A D H <> S+ 0 0 56 -3,-0.7 4,-0.9 1,-0.2 3,-0.5 0.910 117.2 54.5 -67.0 -45.3 20.4 -14.0 -5.4 57 57 A L H >< S+ 0 0 32 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.868 104.1 54.6 -58.7 -39.7 24.1 -14.5 -6.0 58 58 A L H >< S+ 0 0 20 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.827 99.0 63.1 -65.3 -31.9 23.9 -14.3 -9.8 59 59 A I H 3< S+ 0 0 130 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.845 96.9 56.7 -61.3 -35.6 22.1 -10.9 -9.5 60 60 A R T << S+ 0 0 173 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.3 0.476 100.0 81.1 -76.0 -0.6 25.2 -9.3 -7.9 61 61 A K < - 0 0 61 -3,-1.6 2,-0.2 -4,-0.1 -18,-0.0 -0.777 56.9-178.8-107.5 150.9 27.2 -10.5 -11.0 62 62 A S > - 0 0 41 -2,-0.3 3,-1.7 17,-0.0 4,-0.5 -0.775 48.4 -81.1-134.2 178.8 27.4 -8.8 -14.4 63 63 A N G > S+ 0 0 53 1,-0.3 3,-1.7 -2,-0.2 14,-0.2 0.898 126.0 52.7 -52.9 -47.5 29.2 -9.7 -17.6 64 64 A H G 3 S+ 0 0 158 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.544 92.0 75.8 -69.6 -4.4 32.6 -8.4 -16.6 65 65 A S G < S+ 0 0 32 -3,-1.7 -42,-0.6 -43,-0.1 2,-0.5 0.736 88.9 71.2 -74.9 -21.5 32.4 -10.5 -13.4 66 66 A F E < -J 22 0B 4 -3,-1.7 2,-0.6 -4,-0.5 11,-0.4 -0.849 65.4-165.2-102.6 124.6 33.2 -13.5 -15.6 67 67 A L E -J 21 0B 75 -46,-3.0 -46,-2.6 -2,-0.5 2,-0.5 -0.928 8.5-171.0-109.8 112.3 36.7 -14.0 -17.1 68 68 A V E -JM 20 75B 0 7,-0.7 7,-3.4 -2,-0.6 2,-0.5 -0.908 2.3-169.9-106.1 125.2 36.6 -16.6 -19.9 69 69 A Q E -JM 19 74B 64 -50,-2.7 -50,-2.8 -2,-0.5 2,-0.6 -0.962 11.6-175.0-121.6 125.2 40.0 -17.7 -21.2 70 70 A A E > S- M 0 73B 17 3,-2.9 3,-2.0 -2,-0.5 2,-0.3 -0.947 71.1 -48.6-116.2 106.3 40.5 -19.8 -24.3 71 71 A G T 3 S- 0 0 60 -2,-0.6 -52,-0.1 1,-0.3 50,-0.0 -0.519 122.4 -24.8 66.5-129.0 44.2 -20.6 -24.7 72 72 A N T 3 S+ 0 0 165 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.159 121.7 98.2-100.5 18.1 46.0 -17.3 -24.3 73 73 A V E < -M 70 0B 90 -3,-2.0 -3,-2.9 2,-0.0 2,-0.5 -0.881 68.3-134.4-113.9 140.2 43.0 -15.3 -25.4 74 74 A Q E -M 69 0B 111 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.774 16.8-146.8 -90.7 126.4 40.4 -13.5 -23.4 75 75 A L E -M 68 0B 9 -7,-3.4 -7,-0.7 -2,-0.5 2,-0.4 -0.855 17.0-131.2 -97.0 113.5 36.8 -14.2 -24.5 76 76 A R - 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