==== 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 2Z9J . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.C.LEE,A.H.WANG . 606 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 64.4 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 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 . 53 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 0 4 4 2 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 . 9 1 7 2 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 1 1 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 49 0, 0.0 442,-2.1 0, 0.0 472,-0.1 0.000 360.0 360.0 360.0 179.5 20.0 50.4 -27.2 2 2 A G - 0 0 21 440,-0.2 2,-0.3 212,-0.1 440,-0.2 -0.084 360.0-124.4 95.8 160.4 20.2 47.3 -25.1 3 3 A F + 0 0 29 438,-0.3 2,-0.3 279,-0.1 -1,-0.1 -0.931 27.3 175.7-149.0 122.5 17.6 45.6 -22.9 4 4 A R - 0 0 34 -2,-0.3 2,-2.2 438,-0.0 427,-0.0 -0.905 42.4-113.3-127.6 152.9 18.0 44.7 -19.2 5 5 A K - 0 0 66 -2,-0.3 122,-0.4 425,-0.1 425,-0.2 -0.572 58.4-179.4 -79.6 76.9 15.7 43.3 -16.5 6 6 A M - 0 0 26 -2,-2.2 2,-0.2 423,-0.1 423,-0.2 -0.528 20.8-148.4 -91.4 152.0 15.8 46.6 -14.6 7 7 A A B -A 428 0A 5 421,-2.7 421,-2.8 -2,-0.2 120,-0.1 -0.633 30.3 -94.2-107.8 165.1 14.3 47.7 -11.4 8 8 A F - 0 0 14 419,-0.2 419,-0.2 142,-0.2 -1,-0.1 -0.470 56.5 -86.8 -74.6 150.9 13.0 51.0 -10.2 9 9 A P - 0 0 8 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.431 40.3-150.2 -58.5 135.2 15.5 53.1 -8.2 10 10 A S >> + 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-1.5 0.522 67.1 102.1 -89.4 -6.4 15.0 51.9 -4.6 11 11 A G H 3> S+ 0 0 17 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.869 77.8 54.2 -44.6 -53.4 15.9 55.0 -2.7 12 12 A K H 34 S+ 0 0 79 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.787 115.8 40.8 -56.3 -27.5 12.4 56.1 -1.9 13 13 A V H X4 S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.1 4,-0.3 0.835 104.7 63.3 -88.6 -37.6 11.7 52.7 -0.4 14 14 A E H >< S+ 0 0 40 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.882 97.3 59.9 -53.5 -40.9 15.1 52.3 1.4 15 15 A G T 3< S+ 0 0 22 -4,-1.8 -1,-0.3 1,-0.3 82,-0.3 0.346 104.5 51.5 -71.1 8.2 14.2 55.4 3.5 16 16 A C T < S+ 0 0 0 -3,-2.3 15,-3.8 81,-0.1 2,-0.4 0.352 83.0 111.4-122.5 1.2 11.1 53.5 4.8 17 17 A M E < +J 30 0B 15 -3,-1.6 2,-0.3 -4,-0.3 13,-0.2 -0.649 36.5 159.5 -87.2 133.6 12.7 50.3 5.9 18 18 A V E -J 29 0B 2 11,-2.2 11,-2.3 -2,-0.4 2,-0.4 -0.857 36.7-108.4-139.1 174.7 12.8 49.4 9.6 19 19 A Q E -JK 28 69B 36 50,-2.4 50,-2.5 -2,-0.3 2,-0.4 -0.866 25.6-166.5-108.5 138.2 13.2 46.4 11.8 20 20 A V E +JK 27 68B 0 7,-3.0 7,-2.2 -2,-0.4 2,-0.4 -0.992 7.6 179.9-129.1 127.9 10.4 44.9 13.9 21 21 A T E +JK 26 67B 12 46,-2.1 46,-3.0 -2,-0.4 2,-0.3 -0.948 11.6 177.5-127.2 148.4 10.9 42.4 16.7 22 22 A C E > S-J 25 0B 6 3,-2.3 3,-2.0 -2,-0.4 2,-0.3 -0.906 72.1 -37.8-148.4 113.3 8.5 40.7 19.0 23 23 A G T 3 S- 0 0 71 42,-0.5 20,-0.1 -2,-0.3 21,-0.0 -0.522 127.5 -24.1 67.6-127.3 9.9 38.2 21.5 24 24 A T T 3 S+ 0 0 149 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.333 117.2 100.2 -99.0 6.0 12.7 36.4 19.6 25 25 A T E < +J 22 0B 40 -3,-2.0 -3,-2.3 17,-0.3 2,-0.4 -0.836 45.6 175.4 -99.7 126.3 11.2 37.1 16.1 26 26 A T E +J 21 0B 50 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.980 11.3 140.7-128.4 140.3 12.7 39.9 14.0 27 27 A L E -J 20 0B 5 -7,-2.2 -7,-3.0 -2,-0.4 119,-0.2 -0.911 49.4 -65.7-159.2-176.4 11.8 40.9 10.4 28 28 A N E -J 19 0B 0 117,-2.7 2,-0.3 -2,-0.3 -9,-0.2 -0.483 38.3-171.4 -86.8 154.6 11.3 43.9 8.2 29 29 A G E -J 18 0B 0 -11,-2.3 -11,-2.2 -2,-0.2 2,-0.6 -0.920 22.7-125.2-136.4 159.7 8.6 46.5 8.5 30 30 A L E -JL 17 37B 0 7,-2.7 7,-2.5 -2,-0.3 2,-0.7 -0.952 21.7-153.6-112.6 119.2 7.6 49.4 6.3 31 31 A W E + L 0 36B 24 -15,-3.8 2,-0.4 -2,-0.6 5,-0.2 -0.817 20.9 166.9-100.5 110.9 7.6 52.8 8.0 32 32 A L E > - L 0 35B 0 3,-2.8 3,-2.7 -2,-0.7 2,-0.3 -0.986 64.4 -45.3-125.0 125.4 5.2 55.4 6.4 33 33 A D T 3 S- 0 0 76 -2,-0.4 62,-2.0 62,-0.4 64,-0.1 -0.377 125.7 -22.3 55.4-113.8 4.4 58.7 8.3 34 34 A D T 3 S+ 0 0 52 -2,-0.3 57,-2.4 60,-0.2 2,-0.4 0.070 121.8 86.2-114.3 24.5 3.6 57.4 11.8 35 35 A T E < -LM 32 90B 16 -3,-2.7 -3,-2.8 55,-0.2 2,-0.5 -0.971 55.0-157.5-129.7 141.8 2.8 53.8 10.9 36 36 A V E -LM 31 89B 0 53,-2.9 53,-2.9 -2,-0.4 2,-0.4 -0.974 12.2-159.6-117.8 124.7 4.9 50.7 10.6 37 37 A Y E +LM 30 88B 10 -7,-2.5 -7,-2.7 -2,-0.5 51,-0.2 -0.865 22.8 151.0-104.0 135.7 3.5 47.8 8.5 38 38 A C E - M 0 87B 0 49,-1.7 49,-3.1 -2,-0.4 -9,-0.1 -0.986 52.0 -74.1-157.1 162.2 4.8 44.2 8.9 39 39 A P E > - M 0 86B 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.392 39.1-134.6 -61.5 133.4 3.7 40.5 8.5 40 40 A R G > S+ 0 0 33 45,-2.7 3,-2.0 1,-0.3 4,-0.2 0.759 96.0 79.9 -62.0 -22.6 1.5 39.6 11.5 41 41 A H G > + 0 0 24 44,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.466 65.9 89.5 -68.7 5.8 3.4 36.4 11.9 42 42 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -17,-0.3 0.822 85.2 55.1 -67.8 -26.8 6.1 38.3 13.7 43 43 A I G < S+ 0 0 7 -3,-2.0 -1,-0.2 -4,-0.1 2,-0.2 0.625 91.2 102.9 -80.9 -10.0 4.0 37.6 16.9 44 44 A C < - 0 0 6 -3,-0.8 2,-0.1 -4,-0.2 -22,-0.1 -0.492 59.6-145.4 -83.2 142.3 4.1 33.9 16.3 45 45 A T > - 0 0 84 -2,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.290 39.5 -93.9 -87.9 179.1 6.3 31.2 18.1 46 46 A A T 4 S+ 0 0 72 1,-0.2 4,-0.3 2,-0.2 3,-0.2 0.943 130.3 37.7 -60.2 -50.0 7.6 28.1 16.4 47 47 A E T >> S+ 0 0 141 1,-0.2 3,-2.3 2,-0.2 4,-0.6 0.904 108.3 65.6 -67.6 -42.4 4.7 26.1 17.5 48 48 A D G >4 S+ 0 0 39 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.858 93.2 61.3 -47.2 -43.8 2.3 29.0 17.0 49 49 A M G 3< S+ 0 0 39 -4,-1.7 140,-2.2 1,-0.2 -1,-0.3 0.652 90.7 69.0 -61.9 -16.9 2.9 28.9 13.2 50 50 A L G <4 S- 0 0 81 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.827 131.4 -13.1 -73.0 -31.5 1.5 25.3 13.0 51 51 A N S << S+ 0 0 137 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 -0.223 85.8 177.7-168.1 62.1 -2.0 26.4 13.7 52 52 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.435 25.0-152.7 -77.8 143.9 -2.1 30.0 15.0 53 53 A N > - 0 0 80 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.927 14.0-165.6-113.1 101.4 -5.2 31.9 15.9 54 54 A Y H > S+ 0 0 3 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.800 83.6 54.8 -59.0 -35.4 -3.9 35.5 15.3 55 55 A E H > S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 113.1 45.2 -65.7 -39.0 -6.7 37.2 17.1 56 56 A D H > S+ 0 0 72 -3,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.825 114.4 47.3 -72.9 -33.1 -5.9 35.2 20.1 57 57 A L H < S+ 0 0 22 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.862 114.2 46.7 -77.1 -34.5 -2.2 35.7 19.9 58 58 A L H >< S+ 0 0 17 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.839 100.1 64.3 -78.7 -30.5 -2.4 39.4 19.4 59 59 A I H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.797 98.3 59.5 -62.3 -24.1 -4.9 40.1 22.2 60 60 A R T 3< S+ 0 0 169 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.3 0.392 96.1 80.5 -85.6 4.5 -2.2 38.9 24.5 61 61 A K < - 0 0 66 -3,-2.1 2,-0.2 2,-0.0 -18,-0.0 -0.714 59.6-160.2-109.8 161.6 0.2 41.6 23.4 62 62 A S > - 0 0 33 -2,-0.3 3,-2.1 17,-0.0 4,-0.3 -0.774 42.5 -90.4-129.5 173.5 0.6 45.3 24.2 63 63 A N G > S+ 0 0 52 1,-0.3 3,-1.4 -2,-0.2 14,-0.2 0.879 126.4 55.4 -55.3 -38.3 2.3 48.2 22.5 64 64 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.498 86.8 78.1 -76.2 -0.7 5.5 47.4 24.4 65 65 A S G < S+ 0 0 40 -3,-2.1 2,-0.5 -43,-0.1 -42,-0.5 0.638 88.1 75.5 -77.8 -11.8 5.5 43.9 23.1 66 66 A F < - 0 0 11 -3,-1.4 2,-0.7 -4,-0.3 11,-0.4 -0.880 63.4-164.0-109.9 127.4 6.9 45.4 19.9 67 67 A L E -K 21 0B 74 -46,-3.0 -46,-2.1 -2,-0.5 2,-0.5 -0.890 12.5-176.9-110.3 102.6 10.4 46.6 19.3 68 68 A V E -KN 20 75B 0 7,-0.8 7,-3.8 -2,-0.7 2,-0.4 -0.868 3.2-173.8-101.8 130.4 10.6 48.8 16.2 69 69 A Q E -KN 19 74B 35 -50,-2.5 -50,-2.4 -2,-0.5 2,-1.0 -0.978 21.1-159.8-131.7 126.2 14.0 50.2 15.2 70 70 A A E > S- N 0 73B 24 3,-3.1 3,-2.1 -2,-0.4 2,-0.5 -0.865 78.4 -52.4 -98.5 99.9 15.0 52.6 12.5 71 71 A G T 3 S- 0 0 57 -2,-1.0 -52,-0.1 1,-0.3 50,-0.0 -0.556 124.8 -17.6 70.1-119.4 18.6 51.8 12.1 72 72 A N T 3 S+ 0 0 149 -2,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.516 121.8 93.8 -95.5 -8.1 20.1 51.9 15.6 73 73 A V E < S-N 70 0B 90 -3,-2.1 -3,-3.1 1,-0.0 2,-0.3 -0.758 70.2-133.5 -97.7 130.9 17.2 54.0 17.0 74 74 A Q E -N 69 0B 105 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.563 13.3-148.2 -79.3 135.6 14.2 52.6 18.7 75 75 A L E -N 68 0B 12 -7,-3.8 -7,-0.8 -2,-0.3 2,-0.4 -0.917 22.2-122.8-103.9 125.7 10.8 53.9 17.6 76 76 A R - 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