==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-OCT-08 2ZU5 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.F.HSU,C.C.LEE,A.H.-J.WANG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14646.0 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 . 27 8.8 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 0 159 0, 0.0 2,-0.0 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 -16.0 -22.8 5.6 24.3 2 2 A G - 0 0 49 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.022 360.0-134.0 101.5 157.7 -19.2 6.3 24.6 3 3 A F + 0 0 30 279,-0.1 2,-0.3 297,-0.1 -1,-0.1 -0.894 27.4 169.0-154.6 121.8 -16.0 6.2 22.6 4 4 A R - 0 0 197 -2,-0.3 2,-1.1 2,-0.0 295,-0.0 -0.922 48.1-100.7-132.8 157.4 -12.8 4.7 23.8 5 5 A K - 0 0 96 -2,-0.3 2,-0.5 122,-0.1 122,-0.2 -0.718 56.3-166.6 -76.8 106.0 -9.4 3.8 22.3 6 6 A M - 0 0 79 -2,-1.1 2,-0.2 120,-0.1 120,-0.1 -0.865 13.4-156.1-108.4 125.1 -10.3 0.0 22.2 7 7 A A - 0 0 25 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.524 30.3-100.7 -89.2 162.9 -7.8 -2.8 21.7 8 8 A F - 0 0 18 142,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.500 51.8 -86.8 -78.6 152.0 -8.7 -6.2 20.3 9 9 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.430 41.5-149.1 -57.9 134.5 -9.1 -9.0 22.9 10 10 A S >> + 0 0 17 1,-0.2 4,-2.5 2,-0.1 3,-1.4 0.473 65.0 103.8 -93.5 0.7 -5.5 -10.4 23.3 11 11 A G H 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.837 78.3 53.3 -51.9 -45.5 -6.1 -14.0 24.1 12 12 A K H 34 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.777 115.5 42.7 -63.7 -25.4 -5.2 -15.5 20.7 13 13 A V H X4 S+ 0 0 0 -3,-1.4 3,-2.4 -4,-0.1 4,-0.5 0.848 104.1 62.6 -88.7 -36.7 -1.9 -13.6 20.8 14 14 A E H >< S+ 0 0 89 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.893 97.4 60.1 -54.1 -41.4 -1.0 -14.4 24.5 15 15 A G T 3< S+ 0 0 27 -4,-1.7 -1,-0.3 1,-0.3 82,-0.3 0.477 103.5 52.8 -66.8 -2.1 -0.9 -18.1 23.7 16 16 A C T < S+ 0 0 0 -3,-2.4 15,-3.4 81,-0.1 2,-0.4 0.442 82.4 107.3-109.8 -3.3 1.9 -17.4 21.1 17 17 A M E < +A 30 0A 12 -3,-1.5 2,-0.3 -4,-0.5 54,-0.2 -0.628 39.4 162.2 -88.9 134.7 4.3 -15.5 23.3 18 18 A V E -A 29 0A 1 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.831 36.5-109.1-136.5 172.9 7.5 -17.1 24.4 19 19 A Q E -AB 28 69A 29 50,-2.8 50,-2.3 -2,-0.3 2,-0.4 -0.865 26.3-163.0-106.4 139.8 10.9 -16.1 25.8 20 20 A V E -AB 27 68A 0 7,-2.8 7,-2.3 -2,-0.4 2,-0.4 -0.991 7.1-174.2-127.3 126.9 14.1 -16.3 23.7 21 21 A T E +AB 26 67A 19 46,-3.0 46,-2.4 -2,-0.4 2,-0.4 -0.950 12.7 178.1-123.4 139.6 17.6 -16.2 25.2 22 22 A C E > S-AB 25 66A 5 3,-2.5 3,-2.3 -2,-0.4 2,-0.4 -0.934 73.3 -43.4-137.4 110.4 21.0 -16.2 23.5 23 23 A G T 3 S- 0 0 71 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.532 124.1 -27.0 70.5-120.1 23.9 -16.0 26.0 24 24 A T T 3 S+ 0 0 130 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.280 116.7 100.6-110.8 9.8 22.8 -13.4 28.5 25 25 A T E < +A 22 0A 24 -3,-2.3 -3,-2.5 17,-0.2 2,-0.4 -0.826 49.7 179.6 -98.5 129.2 20.4 -11.5 26.2 26 26 A T E +A 21 0A 48 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.985 11.3 145.2-133.0 139.9 16.7 -12.3 26.6 27 27 A L E -A 20 0A 6 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.3 -0.818 46.8 -76.5-152.2-171.2 13.6 -10.9 24.8 28 28 A N E -A 19 0A 0 117,-2.6 2,-0.3 -2,-0.2 -9,-0.2 -0.704 36.9-166.5 -99.3 154.8 10.2 -12.2 23.6 29 29 A G E -A 18 0A 0 -11,-2.8 -11,-2.3 -2,-0.3 2,-0.6 -0.880 20.5-123.6-132.1 168.0 9.4 -14.3 20.6 30 30 A L E -AC 17 37A 0 7,-2.3 7,-2.6 -2,-0.3 2,-0.7 -0.955 21.8-156.0-118.5 117.3 6.2 -15.2 18.7 31 31 A W E + C 0 36A 24 -15,-3.4 2,-0.4 -2,-0.6 5,-0.2 -0.845 21.1 164.4-102.7 107.0 5.5 -18.9 18.3 32 32 A L E > - C 0 35A 0 3,-2.2 3,-2.3 -2,-0.7 -2,-0.1 -0.991 65.5 -40.2-123.6 128.1 3.3 -19.9 15.4 33 33 A D T 3 S- 0 0 69 -2,-0.4 62,-2.5 62,-0.4 64,-0.1 -0.385 124.9 -25.5 52.1-127.0 3.2 -23.5 14.2 34 34 A D T 3 S+ 0 0 62 60,-0.3 57,-2.7 58,-0.1 2,-0.4 0.112 121.0 86.7-106.1 27.5 6.8 -24.8 14.5 35 35 A T E < -CD 32 90A 17 -3,-2.3 -3,-2.2 55,-0.2 2,-0.5 -0.955 55.8-157.5-125.5 144.0 8.5 -21.4 14.1 36 36 A V E -CD 31 89A 0 53,-2.4 53,-3.0 -2,-0.4 2,-0.4 -0.975 13.7-159.7-117.5 125.8 9.5 -18.8 16.7 37 37 A Y E +CD 30 88A 10 -7,-2.6 -7,-2.3 -2,-0.5 51,-0.2 -0.880 22.0 152.6-105.2 139.3 10.1 -15.3 15.4 38 38 A C E - D 0 87A 0 49,-1.9 49,-3.1 -2,-0.4 -9,-0.1 -0.986 50.8 -76.1-158.7 162.3 12.1 -12.7 17.3 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.351 40.3-131.6 -59.8 139.2 14.3 -9.5 16.8 40 40 A R G > S+ 0 0 34 45,-2.4 3,-2.0 1,-0.3 46,-0.1 0.727 96.8 79.2 -71.1 -17.9 17.7 -10.5 15.5 41 41 A H G > + 0 0 27 44,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.528 65.7 89.6 -69.4 -0.5 19.5 -8.4 18.1 42 42 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.3 -17,-0.2 0.768 81.7 62.4 -62.4 -19.8 18.9 -11.1 20.6 43 43 A I G < S+ 0 0 6 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.502 89.2 93.1 -84.3 -1.2 22.3 -12.4 19.3 44 44 A C < - 0 0 1 -3,-1.9 2,-0.2 -4,-0.1 -22,-0.1 -0.700 64.0-149.6 -94.7 142.8 24.0 -9.3 20.5 45 45 A T >> - 0 0 55 -2,-0.3 3,-1.4 1,-0.1 4,-0.8 -0.543 48.2 -93.4 -89.9 170.4 25.8 -8.7 23.8 46 46 A A G >4 S+ 0 0 69 1,-0.3 3,-0.6 -2,-0.2 4,-0.2 0.831 128.3 55.5 -56.5 -32.8 25.5 -5.1 24.9 47 47 A E G 34 S+ 0 0 160 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.708 102.2 56.8 -75.3 -17.3 28.9 -4.3 23.3 48 48 A D G <4 S+ 0 0 50 -3,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.667 87.0 82.4 -85.5 -15.7 27.7 -5.7 19.9 49 49 A M S << S+ 0 0 40 -4,-0.8 140,-2.8 -3,-0.6 -1,-0.2 0.678 78.6 62.5 -67.2 -17.9 24.8 -3.3 19.8 50 50 A L S S- 0 0 110 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.947 129.0 -4.0 -73.4 -45.3 26.6 -0.2 18.4 51 51 A N S S+ 0 0 131 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 -0.285 80.9 176.1-145.4 56.7 27.7 -1.6 15.1 52 52 A P - 0 0 4 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.300 24.9-151.2 -65.2 141.3 26.7 -5.3 14.8 53 53 A N > - 0 0 96 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.942 16.9-167.0-106.7 103.8 27.4 -7.2 11.6 54 54 A Y H > S+ 0 0 6 -2,-0.8 4,-2.8 2,-0.2 5,-0.2 0.846 81.4 56.2 -64.0 -34.2 24.5 -9.6 12.0 55 55 A E H > S+ 0 0 148 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 113.1 43.1 -62.3 -44.7 25.6 -12.1 9.3 56 56 A D H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.875 115.2 48.6 -70.5 -37.2 29.0 -12.4 11.2 57 57 A L H < S+ 0 0 24 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.894 113.3 47.3 -69.3 -37.6 27.4 -12.6 14.6 58 58 A L H >< S+ 0 0 16 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.887 100.0 62.4 -74.7 -35.0 24.9 -15.3 13.5 59 59 A I H 3< S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 99.2 61.4 -61.7 -23.5 27.3 -17.6 11.7 60 60 A R T 3< S+ 0 0 175 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.383 94.4 80.3 -81.4 -1.1 29.0 -18.0 15.1 61 61 A K < - 0 0 66 -3,-2.4 2,-0.2 -4,-0.0 -18,-0.0 -0.810 61.7-157.5-107.3 155.3 25.9 -19.5 16.7 62 62 A S > - 0 0 35 -2,-0.3 3,-1.1 1,-0.0 4,-0.3 -0.575 41.0 -94.2-114.0 179.8 24.4 -23.0 16.6 63 63 A N G > S+ 0 0 47 1,-0.2 3,-1.4 -2,-0.2 14,-0.2 0.895 126.4 54.1 -62.2 -36.4 20.8 -24.1 17.1 64 64 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.471 85.9 79.4 -79.8 0.1 21.7 -24.8 20.8 65 65 A S G < S+ 0 0 39 -3,-1.1 -42,-0.6 -43,-0.1 2,-0.5 0.689 88.7 74.9 -73.1 -14.7 23.0 -21.3 21.3 66 66 A F E < -B 22 0A 9 -3,-1.4 2,-0.5 -4,-0.3 11,-0.4 -0.870 63.4-167.4-108.6 129.6 19.2 -20.5 21.5 67 67 A L E -B 21 0A 67 -46,-2.4 -46,-3.0 -2,-0.5 2,-0.5 -0.955 8.5-172.0-113.0 121.1 17.1 -21.2 24.5 68 68 A V E -BE 20 75A 1 7,-0.8 7,-3.1 -2,-0.5 2,-0.4 -0.957 0.7-171.2-117.3 126.6 13.3 -20.9 23.9 69 69 A Q E -BE 19 74A 60 -50,-2.3 -50,-2.8 -2,-0.5 2,-0.6 -0.974 12.2-171.5-122.5 127.7 10.9 -21.1 26.9 70 70 A A E > S- E 0 73A 18 3,-3.0 3,-2.5 -2,-0.4 2,-0.3 -0.964 75.2 -51.1-116.6 102.2 7.1 -21.3 26.5 71 71 A G T 3 S- 0 0 62 -2,-0.6 -52,-0.1 1,-0.3 50,-0.0 -0.464 121.9 -24.7 65.7-123.5 5.9 -21.0 30.1 72 72 A N T 3 S+ 0 0 144 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.282 119.9 100.0-103.6 9.9 7.8 -23.6 32.0 73 73 A V E < -E 70 0A 81 -3,-2.5 -3,-3.0 2,-0.0 2,-0.3 -0.850 65.4-141.8-103.5 128.4 8.4 -25.7 28.9 74 74 A Q E -E 69 0A 101 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.653 12.3-152.3 -84.3 140.3 11.7 -25.6 27.0 75 75 A L E -E 68 0A 7 -7,-3.1 -7,-0.8 -2,-0.3 2,-0.4 -0.969 13.4-133.4-114.7 124.4 11.4 -25.8 23.2 76 76 A R - 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