==== 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 2Z9L . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.C.LEE,A.H.WANG . 601 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 65.7 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 . 139 23.1 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 . 59 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 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 7 3 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 38 0, 0.0 441,-1.6 0, 0.0 471,-0.1 0.000 360.0 360.0 360.0 -13.2 44.2 -58.5 -30.7 2 2 A G - 0 0 31 439,-0.2 2,-0.4 208,-0.1 439,-0.1 0.204 360.0-108.0 73.2 164.7 43.0 -57.8 -27.2 3 3 A F - 0 0 26 275,-0.1 2,-0.4 438,-0.1 -1,-0.1 -0.999 35.1-171.5-133.1 131.3 40.1 -55.8 -25.8 4 4 A R - 0 0 31 -2,-0.4 2,-1.0 437,-0.0 436,-0.0 -0.967 32.6-117.6-131.0 141.3 40.8 -52.5 -24.1 5 5 A K - 0 0 55 -2,-0.4 2,-0.4 118,-0.0 118,-0.1 -0.633 55.2-174.5 -69.1 106.1 38.7 -50.2 -22.0 6 6 A M - 0 0 31 -2,-1.0 2,-0.2 422,-0.1 422,-0.2 -0.860 26.2-143.2-121.3 157.8 38.9 -47.3 -24.4 7 7 A A B -A 427 0A 6 420,-2.7 420,-3.4 -2,-0.4 116,-0.1 -0.661 32.2-103.5 -99.8 157.3 37.9 -43.6 -24.7 8 8 A F - 0 0 7 -2,-0.2 418,-0.2 418,-0.2 417,-0.1 -0.479 53.9 -88.0 -72.0 148.6 36.8 -41.7 -27.8 9 9 A P - 0 0 3 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.368 41.9-151.2 -57.0 141.5 39.5 -39.5 -29.3 10 10 A S >> + 0 0 0 1,-0.2 4,-2.6 2,-0.1 3,-1.5 0.425 63.7 104.5-101.7 1.5 39.1 -36.2 -27.4 11 11 A G H 3> S+ 0 0 17 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.870 79.2 54.7 -49.1 -47.5 40.3 -33.5 -29.9 12 12 A K H 34 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.712 115.0 39.9 -62.1 -23.3 36.9 -32.3 -30.7 13 13 A V H X4 S+ 0 0 0 -3,-1.5 3,-2.0 2,-0.1 4,-0.3 0.787 107.6 62.4 -94.3 -34.1 36.1 -31.6 -27.0 14 14 A E H >< S+ 0 0 34 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.876 97.5 60.7 -57.2 -37.8 39.6 -30.3 -26.3 15 15 A G T 3< S+ 0 0 23 -4,-2.0 78,-0.3 1,-0.2 -1,-0.3 0.575 103.5 50.1 -67.9 -9.7 38.9 -27.5 -28.7 16 16 A C T < S+ 0 0 0 -3,-2.0 15,-3.2 77,-0.1 2,-0.4 0.304 82.5 113.0-110.0 6.9 35.9 -26.3 -26.6 17 17 A M E < +I 30 0B 14 -3,-1.4 2,-0.3 -4,-0.3 13,-0.2 -0.686 37.7 167.3 -90.0 131.1 37.5 -26.1 -23.2 18 18 A V E -I 29 0B 2 11,-2.6 11,-2.8 -2,-0.4 2,-0.5 -0.904 35.8-112.4-133.4 164.5 38.0 -22.7 -21.6 19 19 A Q E -IJ 28 65B 33 46,-3.1 46,-3.4 -2,-0.3 2,-0.5 -0.839 28.3-167.3 -97.6 129.0 38.8 -21.3 -18.2 20 20 A V E -IJ 27 64B 0 7,-2.8 7,-2.2 -2,-0.5 2,-0.4 -0.979 6.8-177.2-120.2 121.6 36.1 -19.4 -16.4 21 21 A T E +IJ 26 63B 23 42,-2.3 42,-3.1 -2,-0.5 2,-0.5 -0.976 14.3 179.6-126.4 128.2 36.9 -17.3 -13.3 22 22 A C E > -IJ 25 62B 2 3,-2.6 3,-1.4 -2,-0.4 2,-0.6 -0.835 67.2 -61.5-125.6 89.1 34.6 -15.4 -11.1 23 23 A G T 3 S- 0 0 65 -2,-0.5 20,-0.1 38,-0.5 19,-0.0 -0.625 122.2 -5.7 80.5-116.2 36.6 -13.7 -8.4 24 24 A T T 3 S+ 0 0 132 -2,-0.6 2,-0.6 20,-0.3 -1,-0.3 0.683 119.3 88.5 -87.2 -21.5 38.4 -16.2 -6.3 25 25 A T E < +I 22 0B 35 -3,-1.4 -3,-2.6 19,-0.3 2,-0.4 -0.718 52.1 178.6 -89.8 113.8 36.7 -19.2 -8.0 26 26 A T E +I 21 0B 50 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.928 16.4 138.9-113.8 136.3 38.3 -20.7 -11.2 27 27 A L E -I 20 0B 4 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.3 -0.863 47.2 -74.3-155.1-171.6 36.8 -23.7 -13.0 28 28 A N E -I 19 0B 0 113,-2.3 2,-0.3 -2,-0.2 -9,-0.2 -0.713 33.6-166.5-103.2 150.0 36.2 -25.0 -16.5 29 29 A G E -I 18 0B 0 -11,-2.8 -11,-2.6 -2,-0.3 2,-0.6 -0.920 20.4-128.1-129.6 156.4 33.7 -24.0 -19.2 30 30 A L E -IK 17 37B 0 7,-2.9 7,-3.1 -2,-0.3 2,-0.7 -0.935 23.3-156.1-106.8 116.1 32.4 -25.6 -22.4 31 31 A W E + K 0 36B 20 -15,-3.2 2,-0.4 -2,-0.6 5,-0.2 -0.833 21.0 164.4-102.1 107.6 32.6 -23.2 -25.4 32 32 A L E > - K 0 35B 1 3,-2.6 3,-2.2 -2,-0.7 -2,-0.0 -0.995 65.8 -40.5-126.3 128.0 30.2 -23.9 -28.3 33 33 A D T 3 S- 0 0 67 -2,-0.4 58,-3.0 58,-0.4 60,-0.1 -0.346 125.2 -26.0 50.6-125.7 29.4 -21.3 -30.9 34 34 A D T 3 S+ 0 0 56 56,-0.3 53,-2.2 54,-0.1 2,-0.4 0.032 120.8 89.8-106.5 32.3 29.1 -18.1 -28.8 35 35 A T E < -KL 32 86B 13 -3,-2.2 -3,-2.6 51,-0.2 2,-0.5 -0.985 55.5-158.0-129.1 136.9 28.0 -19.6 -25.5 36 36 A V E -KL 31 85B 0 49,-2.9 49,-2.6 -2,-0.4 2,-0.4 -0.950 11.6-159.4-114.3 116.0 30.1 -20.8 -22.6 37 37 A Y E +KL 30 84B 15 -7,-3.1 -7,-2.9 -2,-0.5 47,-0.2 -0.787 23.3 152.0 -95.9 135.8 28.5 -23.4 -20.3 38 38 A C E - L 0 83B 0 45,-1.8 45,-2.7 -2,-0.4 -9,-0.1 -0.977 50.5 -71.8-153.4 162.8 29.9 -23.9 -16.8 39 39 A P E > - L 0 82B 0 0, 0.0 3,-1.2 0, 0.0 43,-0.2 -0.341 39.0-126.7 -63.0 140.9 28.6 -25.0 -13.4 40 40 A R G > S+ 0 0 43 41,-3.1 3,-1.5 1,-0.3 42,-0.1 0.792 99.9 75.0 -53.2 -33.8 26.4 -22.6 -11.6 41 41 A H G 3 + 0 0 39 40,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.245 67.3 89.9 -71.8 19.1 28.5 -22.6 -8.5 42 42 A V G < S+ 0 0 0 -3,-1.2 2,-1.7 1,-0.2 -17,-0.3 0.780 71.4 75.5 -82.1 -23.0 31.2 -20.5 -10.0 43 43 A I < 0 0 3 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 -0.288 360.0 360.0 -82.7 51.9 29.3 -17.4 -8.7 44 44 A C 0 0 80 -2,-1.7 -20,-0.3 -3,-0.3 -19,-0.3 -0.233 360.0 360.0-129.9 360.0 30.5 -18.0 -5.2 45 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 50 A L 0 0 172 0, 0.0 138,-0.1 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 99.0 26.4 -23.6 2.1 47 51 A N - 0 0 111 1,-0.2 137,-0.1 139,-0.0 136,-0.0 0.804 360.0-173.1 68.6 32.0 22.9 -23.6 0.6 48 52 A P - 0 0 36 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.220 31.5-125.0 -61.4 144.8 23.5 -20.4 -1.3 49 53 A N >> - 0 0 83 1,-0.2 3,-2.9 2,-0.1 4,-1.5 -0.555 31.8-176.7 -87.4 68.8 20.6 -18.7 -3.2 50 54 A Y H 3> S+ 0 0 16 -2,-1.7 4,-1.3 1,-0.3 -1,-0.2 0.852 78.0 62.4 -28.6 -64.8 22.5 -18.8 -6.5 51 55 A E H 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.770 109.6 41.6 -33.5 -41.9 19.6 -16.9 -8.2 52 56 A D H X> S+ 0 0 61 -3,-2.9 3,-2.2 1,-0.2 4,-0.8 0.928 107.3 56.7 -77.6 -49.5 20.2 -14.0 -5.8 53 57 A L H 3< S+ 0 0 45 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.607 95.1 73.6 -59.0 -8.9 24.0 -14.0 -5.9 54 58 A L T 3< S+ 0 0 29 -4,-1.3 3,-0.3 -5,-0.3 -1,-0.3 0.757 89.0 57.7 -75.9 -28.1 23.5 -13.6 -9.7 55 59 A I T <4 S+ 0 0 122 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.952 97.5 57.0 -67.5 -52.7 22.4 -10.0 -9.2 56 60 A R S < S+ 0 0 173 -4,-0.8 2,-0.4 2,-0.0 -1,-0.2 0.672 100.9 88.1 -53.5 -12.9 25.6 -8.9 -7.5 57 61 A K + 0 0 36 -3,-0.3 2,-0.3 -4,-0.2 -14,-0.0 -0.731 54.6 179.4 -98.1 138.1 27.1 -10.2 -10.7 58 62 A S >> - 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