==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-05 2A5A . COMPND 2 MOLECULE: 3C-LIKE PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR T.-W.LEE,M.M.CHERNEY,C.HUITEMA,J.LIU,K.E.JAMES,J.C.POWERS, . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 21.9 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 . 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 16.7 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 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 0 PARALLEL BRIDGES PER LADDER . 3 1 2 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 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 172.1 -23.1 5.1 23.5 2 2 A G - 0 0 43 1,-0.1 2,-0.3 212,-0.1 280,-0.0 -0.200 360.0-133.2 104.7 160.7 -19.5 6.1 24.5 3 3 A F + 0 0 28 -2,-0.1 2,-0.3 279,-0.1 -1,-0.1 -0.804 30.8 160.2-155.8 116.2 -16.3 6.2 22.5 4 4 A R - 0 0 190 -2,-0.3 2,-0.4 295,-0.0 295,-0.0 -0.928 48.1 -99.1-132.0 152.8 -13.0 4.9 23.8 5 5 A K - 0 0 87 -2,-0.3 2,-0.4 122,-0.1 122,-0.1 -0.588 54.7-169.3 -62.7 123.2 -9.6 3.7 22.3 6 6 A M - 0 0 80 -2,-0.4 2,-0.2 120,-0.1 120,-0.1 -0.973 18.3-150.8-135.3 142.7 -10.1 0.1 22.2 7 7 A A - 0 0 27 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.574 32.0 -98.9 -96.6 165.0 -7.9 -2.8 21.5 8 8 A F - 0 0 29 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.454 54.1 -90.3 -79.4 146.9 -8.8 -6.2 20.1 9 9 A P - 0 0 103 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.348 41.6-147.3 -57.5 150.1 -9.2 -8.9 22.8 10 10 A S >> + 0 0 19 1,-0.2 4,-2.6 2,-0.1 3,-1.1 0.478 65.7 101.8-111.3 -4.6 -5.7 -10.4 23.2 11 11 A G H 3> S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 77.1 56.3 -47.5 -48.5 -6.2 -14.0 24.0 12 12 A K H 34 S+ 0 0 73 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.836 116.8 38.1 -64.8 -25.8 -5.5 -15.5 20.6 13 13 A V H X4 S+ 0 0 0 -3,-1.1 3,-2.4 1,-0.2 4,-0.3 0.824 104.0 65.9 -91.9 -31.6 -2.1 -13.9 20.6 14 14 A E H >< S+ 0 0 87 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.848 98.1 57.4 -51.5 -39.6 -1.3 -14.3 24.3 15 15 A G T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.2 82,-0.3 0.560 102.6 59.5 -75.7 0.8 -1.2 -18.1 23.5 16 16 A C T < S+ 0 0 0 -3,-2.4 15,-4.0 -5,-0.2 2,-0.4 0.503 81.6 105.0 -97.2 0.7 1.5 -17.2 20.9 17 17 A M E < +A 30 0A 15 -3,-1.4 2,-0.2 -4,-0.3 13,-0.2 -0.656 38.5 161.7-100.4 133.1 4.1 -15.6 23.1 18 18 A V E -A 29 0A 2 11,-2.5 11,-3.0 -2,-0.4 2,-0.5 -0.739 36.0-110.8-130.9 177.0 7.3 -17.2 24.2 19 19 A Q E -AB 28 69A 33 50,-2.3 50,-2.8 9,-0.3 2,-0.5 -0.967 24.5-166.7-110.8 123.6 10.7 -16.1 25.7 20 20 A V E -AB 27 68A 0 7,-2.7 7,-3.3 -2,-0.5 2,-0.4 -0.961 7.3-176.1-110.5 132.7 13.8 -16.4 23.6 21 21 A T E +AB 26 67A 21 46,-2.1 46,-2.1 -2,-0.5 2,-0.4 -0.973 8.8 177.9-124.2 140.9 17.2 -16.0 25.3 22 22 A C E > -AB 25 66A 7 3,-2.4 3,-2.4 -2,-0.4 2,-0.3 -0.966 67.9 -41.1-146.4 114.4 20.6 -16.0 23.7 23 23 A G T 3 S- 0 0 72 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.468 126.0 -22.4 64.2-125.3 23.6 -15.5 25.9 24 24 A T T 3 S+ 0 0 124 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.328 117.2 97.5 -98.1 1.5 22.7 -12.8 28.4 25 25 A T E < -A 22 0A 41 -3,-2.4 -3,-2.4 17,-0.2 2,-0.5 -0.816 48.9-176.3 -98.4 127.4 19.8 -11.2 26.3 26 26 A T E +A 21 0A 47 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.977 15.5 147.0-117.3 134.2 16.3 -12.2 26.9 27 27 A L E -A 20 0A 3 -7,-3.3 -7,-2.7 -2,-0.5 2,-0.2 -0.923 44.3 -80.6-148.8-174.1 13.4 -11.0 24.9 28 28 A N E -A 19 0A 0 117,-2.0 2,-0.3 -2,-0.3 -9,-0.3 -0.542 35.1-170.3 -92.8 147.4 9.9 -12.1 23.6 29 29 A G E -A 18 0A 0 -11,-3.0 -11,-2.5 -2,-0.2 2,-0.6 -0.912 22.1-125.3-134.7 158.7 9.1 -14.3 20.5 30 30 A L E -AC 17 37A 0 7,-2.6 7,-3.3 -2,-0.3 2,-0.7 -0.949 21.9-155.4-105.5 134.2 6.0 -15.1 18.7 31 31 A W E + C 0 36A 20 -15,-4.0 2,-0.4 -2,-0.6 5,-0.2 -0.809 22.1 161.4-115.4 99.2 5.3 -18.8 18.3 32 32 A L E > - C 0 35A 1 3,-1.2 3,-1.9 -2,-0.7 -2,-0.1 -0.970 63.9 -36.1-117.7 138.6 3.1 -19.9 15.4 33 33 A D T 3 S- 0 0 72 -2,-0.4 62,-2.0 62,-0.4 60,-0.1 -0.195 124.4 -24.5 42.3-149.2 3.0 -23.5 14.2 34 34 A D T 3 S+ 0 0 88 60,-0.3 57,-2.0 61,-0.1 2,-0.3 0.152 124.8 80.8 -67.4 26.8 6.6 -25.1 14.4 35 35 A T E < -CD 32 90A 13 -3,-1.9 -3,-1.2 55,-0.2 2,-0.4 -0.951 57.4-158.0-137.4 152.2 8.3 -21.6 14.2 36 36 A V E -CD 31 89A 0 53,-1.8 53,-1.9 -2,-0.3 2,-0.3 -0.999 13.7-153.2-128.3 127.3 9.2 -18.8 16.7 37 37 A Y E +CD 30 88A 18 -7,-3.3 -7,-2.6 -2,-0.4 51,-0.2 -0.839 25.1 152.3 -95.7 140.4 9.8 -15.2 15.4 38 38 A C E - D 0 87A 0 49,-1.6 49,-3.0 -2,-0.3 2,-0.2 -0.974 50.8 -76.7-156.7 163.3 12.0 -12.7 17.3 39 39 A P E > - D 0 86A 0 0, 0.0 3,-2.0 0, 0.0 47,-0.2 -0.478 35.0-137.1 -62.8 129.2 14.3 -9.6 16.7 40 40 A R G > S+ 0 0 44 45,-1.9 3,-2.3 1,-0.3 4,-0.3 0.784 97.3 80.2 -60.1 -24.3 17.6 -10.8 15.3 41 41 A H G > + 0 0 14 44,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.646 67.9 89.2 -61.2 -3.2 19.2 -8.2 17.7 42 42 A V G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -17,-0.2 0.737 86.8 49.4 -63.5 -21.1 18.7 -10.9 20.3 43 43 A I G < S+ 0 0 15 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.614 88.1 107.0 -90.3 -8.7 22.1 -12.2 19.3 44 44 A C < - 0 0 2 -3,-1.3 3,-0.2 -4,-0.3 5,-0.1 -0.407 69.2-113.8 -79.5 148.4 23.9 -8.9 19.5 45 45 A T > - 0 0 63 1,-0.2 2,-2.5 3,-0.2 3,-0.8 -0.054 42.4 -62.0 -86.8 175.2 26.0 -8.5 22.4 46 46 A A T 3 S- 0 0 82 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.246 125.3 -30.5 -39.5 71.2 26.5 -6.6 25.5 47 47 A E T 3 S+ 0 0 124 -2,-2.5 -1,-0.3 -3,-0.2 -2,-0.1 0.970 93.3 126.4 55.8 91.2 26.6 -3.6 23.2 48 48 A D < + 0 0 51 -3,-0.8 -3,-0.2 4,-0.0 3,-0.1 -0.332 51.8 103.8-152.0 33.4 28.0 -4.5 19.8 49 49 A M + 0 0 32 -4,-0.2 140,-3.0 1,-0.1 -3,-0.1 0.439 59.3 82.7 -84.7 -9.5 24.8 -2.9 18.6 50 50 A L S S- 0 0 76 1,-0.2 -1,-0.1 138,-0.2 138,-0.1 0.847 119.7 -7.9 -66.0 -30.2 27.2 -0.1 17.8 51 51 A N S S+ 0 0 120 -3,-0.1 -1,-0.2 139,-0.0 2,-0.2 -0.283 83.2 179.6-162.4 64.2 28.1 -1.8 14.6 52 52 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.463 18.4-161.7 -74.6 137.4 26.7 -5.3 14.2 53 53 A N > - 0 0 96 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.959 13.5-173.7-109.9 113.2 27.3 -7.4 11.2 54 54 A Y H > S+ 0 0 10 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.755 76.4 60.0 -81.5 -27.2 24.5 -9.9 11.6 55 55 A E H > S+ 0 0 161 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.930 117.0 38.6 -66.5 -39.9 25.3 -12.4 8.8 56 56 A D H > S+ 0 0 72 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.796 113.4 52.3 -74.8 -43.7 28.6 -12.8 10.6 57 57 A L H < S+ 0 0 33 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.822 113.0 47.4 -62.4 -37.0 27.2 -12.7 14.2 58 58 A L H >< S+ 0 0 17 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.791 100.9 60.9 -79.4 -29.6 24.7 -15.4 13.3 59 59 A I H 3< S+ 0 0 136 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 95.5 68.9 -71.3 -21.8 27.1 -17.8 11.5 60 60 A R T 3< S+ 0 0 173 -4,-0.7 2,-0.3 -3,-0.2 -1,-0.3 0.286 98.9 62.7 -71.1 -0.7 29.0 -17.9 15.0 61 61 A K < - 0 0 56 -3,-1.7 2,-0.2 3,-0.0 -18,-0.0 -0.955 61.4-153.5-134.0 164.6 26.1 -19.8 16.5 62 62 A S > - 0 0 38 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.436 42.9 -88.6-108.8-171.9 24.0 -23.0 16.5 63 63 A N G > S+ 0 0 46 1,-0.3 3,-2.1 2,-0.2 14,-0.1 0.975 123.2 56.7 -63.9 -54.5 20.5 -24.2 17.4 64 64 A H G 3 S+ 0 0 165 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.604 91.0 76.5 -57.0 -8.5 21.4 -25.0 21.0 65 65 A S G < S+ 0 0 37 -3,-0.8 -42,-0.6 -43,-0.1 2,-0.4 0.824 90.4 59.4 -70.1 -28.7 22.6 -21.3 21.3 66 66 A F E < -B 22 0A 6 -3,-2.1 2,-0.5 -4,-0.4 11,-0.4 -0.833 69.0-162.4 -98.1 129.6 18.9 -20.1 21.5 67 67 A L E -B 21 0A 78 -46,-2.1 -46,-2.1 -2,-0.4 2,-0.5 -0.978 3.6-162.7-114.8 133.7 16.6 -21.3 24.3 68 68 A V E -BE 20 75A 0 7,-1.0 7,-4.6 -2,-0.5 2,-0.5 -0.968 3.8-165.8-117.0 127.1 12.8 -20.8 23.8 69 69 A Q E -BE 19 74A 44 -50,-2.8 -50,-2.3 -2,-0.5 2,-0.6 -0.965 11.4-174.0-123.2 121.1 10.6 -21.1 26.9 70 70 A A E > S- E 0 73A 22 3,-2.3 3,-0.9 -2,-0.5 -52,-0.1 -0.964 73.8 -52.8-112.9 101.0 6.8 -21.4 26.6 71 71 A G T 3 S- 0 0 69 -2,-0.6 2,-0.2 1,-0.3 -52,-0.1 -0.394 122.8 -22.0 63.0-131.1 5.7 -21.2 30.3 72 72 A N T 3 S+ 0 0 152 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 -0.218 119.3 101.6 -99.1 48.9 7.7 -23.7 32.0 73 73 A V E < -E 70 0A 92 -3,-0.9 -3,-2.3 -2,-0.2 2,-0.4 -0.914 64.1-140.6-135.0 114.0 8.5 -25.7 28.9 74 74 A Q E -E 69 0A 103 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.3 -0.523 14.2-146.9 -66.2 123.8 11.8 -25.6 27.0 75 75 A L E -E 68 0A 10 -7,-4.6 -7,-1.0 -2,-0.4 2,-0.6 -0.812 13.3-133.9 -87.7 124.9 11.3 -25.6 23.3 76 76 A R - 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