==== 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 27-APR-06 2GT8 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR T.-W.LEE,M.M.CHERNEY,C.HUITEMA,J.LIU,K.E.JAMES,J.C.POWERS,L. . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 65.8 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 . 68 22.8 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 . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 17.8 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 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 3 A F 0 0 77 0, 0.0 2,-0.2 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 100.5 -8.2 -4.9 25.3 2 4 A R - 0 0 213 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.517 360.0-118.2 -96.9 146.2 -4.4 -4.5 25.6 3 5 A K - 0 0 91 -2,-0.2 2,-0.5 122,-0.1 122,-0.1 -0.636 39.7-160.0 -69.9 127.4 -1.6 -3.7 23.3 4 6 A M - 0 0 63 -2,-0.4 2,-0.3 120,-0.1 120,-0.1 -0.929 11.9-152.4-114.9 140.0 0.7 -6.7 23.3 5 7 A A - 0 0 33 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.762 31.7-104.8 -93.0 153.1 4.3 -6.9 22.3 6 8 A F - 0 0 17 -2,-0.3 -1,-0.1 142,-0.2 142,-0.0 -0.437 50.1 -87.3 -62.5 148.6 5.7 -10.2 21.0 7 9 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.376 41.2-151.5 -59.9 140.5 7.9 -12.1 23.5 8 10 A S >> + 0 0 19 1,-0.2 4,-2.6 2,-0.1 3,-1.1 0.452 64.4 105.1-104.9 -1.5 11.3 -10.6 23.0 9 11 A G H 3> S+ 0 0 47 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.864 79.2 53.0 -47.0 -50.5 13.6 -13.5 23.9 10 12 A K H 34 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.772 115.5 41.3 -61.3 -29.4 14.6 -14.4 20.3 11 13 A V H X4 S+ 0 0 0 -3,-1.1 3,-2.2 2,-0.1 4,-0.4 0.826 104.4 64.8 -84.3 -38.2 15.7 -10.8 19.7 12 14 A E H >< S+ 0 0 84 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.909 96.9 56.6 -52.6 -49.9 17.4 -10.2 23.0 13 15 A G T 3< S+ 0 0 27 -4,-1.5 82,-0.3 1,-0.2 -1,-0.3 0.538 106.0 54.7 -58.3 -5.9 20.1 -12.8 22.2 14 16 A C T < S+ 0 0 0 -3,-2.2 15,-3.5 81,-0.1 2,-0.4 0.454 81.6 106.7-105.1 -4.0 20.9 -10.8 19.1 15 17 A M E < +A 28 0A 13 -3,-1.8 54,-0.3 -4,-0.4 2,-0.3 -0.640 39.3 160.4 -89.6 129.0 21.6 -7.4 20.6 16 18 A V E -A 27 0A 2 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.843 37.0-111.2-133.0 173.0 25.2 -6.1 20.8 17 19 A Q E -AB 26 67A 37 50,-2.4 50,-2.4 -2,-0.3 2,-0.4 -0.902 23.8-162.3-105.2 137.3 26.9 -2.7 21.1 18 20 A V E -AB 25 66A 0 7,-2.9 7,-2.3 -2,-0.4 2,-0.4 -0.993 9.3-174.2-119.0 130.4 28.9 -1.2 18.3 19 21 A T E +AB 24 65A 17 46,-2.2 46,-2.4 -2,-0.4 2,-0.4 -0.980 14.0 178.5-126.9 132.3 31.4 1.6 19.0 20 22 A C E > S-AB 23 64A 12 3,-2.5 3,-2.3 -2,-0.4 2,-0.3 -0.971 70.6 -48.4-128.7 114.0 33.4 3.7 16.6 21 23 A G T 3 S- 0 0 68 42,-0.6 22,-0.0 -2,-0.4 20,-0.0 -0.455 125.2 -18.0 64.5-123.6 35.6 6.3 18.3 22 24 A T T 3 S+ 0 0 144 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.408 120.2 93.4 -92.8 -1.9 33.4 8.1 20.9 23 25 A T E < +A 20 0A 37 -3,-2.3 -3,-2.5 17,-0.2 2,-0.3 -0.771 48.4 173.4 -97.9 139.2 30.1 7.0 19.2 24 26 A T E +A 19 0A 44 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.996 5.3 155.2-142.5 138.3 28.2 3.8 20.4 25 27 A L E -A 18 0A 8 -7,-2.3 -7,-2.9 -2,-0.3 2,-0.2 -0.877 44.5 -77.3-149.0-178.0 24.9 2.4 19.4 26 28 A N E -A 17 0A 1 117,-2.5 2,-0.3 -2,-0.3 -9,-0.3 -0.598 40.7-169.7 -82.4 147.7 23.1 -0.9 19.3 27 29 A G E -A 16 0A 0 -11,-2.8 -11,-2.5 -2,-0.2 2,-0.6 -0.930 21.1-123.6-132.4 165.9 23.6 -3.5 16.6 28 30 A L E -AC 15 35A 0 7,-3.1 7,-2.5 -2,-0.3 2,-0.7 -0.932 20.5-154.6-113.5 120.7 21.9 -6.7 15.6 29 31 A W E + C 0 34A 20 -15,-3.5 2,-0.4 -2,-0.6 5,-0.2 -0.831 22.4 163.0-101.4 110.5 24.0 -9.9 15.5 30 32 A L E > - C 0 33A 0 3,-2.7 3,-2.3 -2,-0.7 -2,-0.0 -0.997 65.6 -37.8-129.1 128.4 22.8 -12.6 13.2 31 33 A D T 3 S- 0 0 69 -2,-0.4 62,-2.5 62,-0.3 64,-0.1 -0.400 125.3 -29.2 51.6-132.0 25.1 -15.5 12.1 32 34 A D T 3 S+ 0 0 57 60,-0.3 57,-2.4 -3,-0.1 2,-0.4 0.015 121.4 94.3-100.5 29.0 28.5 -13.9 11.6 33 35 A T E < -CD 30 88A 13 -3,-2.3 -3,-2.7 55,-0.2 2,-0.5 -0.958 54.6-158.9-120.3 140.8 27.1 -10.4 10.7 34 36 A V E -CD 29 87A 0 53,-2.5 53,-3.2 -2,-0.4 2,-0.4 -0.984 11.4-160.0-114.0 123.4 26.4 -7.4 12.8 35 37 A Y E +CD 28 86A 19 -7,-2.5 -7,-3.1 -2,-0.5 51,-0.2 -0.898 24.5 148.4-100.3 129.1 23.9 -4.8 11.4 36 38 A C E - D 0 85A 0 49,-1.6 49,-3.1 -2,-0.4 -9,-0.1 -0.979 55.0 -77.6-151.5 163.6 23.9 -1.2 12.7 37 39 A P E > - D 0 84A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.461 38.9-134.9 -61.8 134.3 23.1 2.3 11.5 38 40 A R G > S+ 0 0 34 45,-2.1 3,-2.1 1,-0.3 4,-0.2 0.697 95.2 82.0 -67.0 -16.0 26.2 3.5 9.4 39 41 A H G > + 0 0 22 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.599 67.2 87.1 -70.5 -0.5 26.1 6.9 11.2 40 42 A V G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -20,-0.3 0.782 81.9 60.9 -59.1 -22.8 28.0 5.1 14.0 41 43 A I G < S+ 0 0 11 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.599 89.8 100.5 -82.6 -4.7 31.1 6.0 12.0 42 44 A C < - 0 0 5 -3,-1.5 2,-0.2 -4,-0.2 -22,-0.1 -0.633 61.0-148.8 -92.7 132.5 30.4 9.7 12.3 43 45 A T > - 0 0 69 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.532 43.9-101.8 -70.6 158.1 31.8 12.4 14.5 44 46 A A T 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 143,-0.1 0.788 127.4 50.6 -59.4 -28.5 29.2 15.1 15.4 45 47 A E T >> S+ 0 0 164 2,-0.2 3,-0.7 1,-0.2 4,-0.7 0.850 108.5 50.7 -74.6 -39.1 30.9 17.3 12.8 46 48 A D G >4 S+ 0 0 48 -3,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.893 98.3 70.0 -60.0 -40.8 30.8 14.5 10.1 47 49 A M G 3< S+ 0 0 34 -4,-2.3 140,-3.0 1,-0.3 -1,-0.2 0.687 91.5 56.7 -60.2 -22.7 27.1 14.1 10.8 48 50 A L G <4 S+ 0 0 87 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.887 131.9 7.2 -72.8 -38.1 26.2 17.5 9.3 49 51 A N S << S- 0 0 142 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.537 84.5-177.1-142.3 71.9 27.8 16.5 6.0 50 52 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.528 21.6-160.0 -83.1 134.8 28.9 12.8 6.0 51 53 A N > - 0 0 84 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 -0.819 19.2-179.4-101.7 85.6 30.7 11.2 3.1 52 54 A Y H > S+ 0 0 8 -2,-0.8 4,-2.9 2,-0.2 5,-0.2 0.874 74.9 47.7 -55.7 -46.6 29.8 7.6 4.1 53 55 A E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.935 116.5 43.9 -69.7 -41.5 31.6 5.8 1.3 54 56 A D H > S+ 0 0 67 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.961 116.4 47.2 -60.3 -50.2 34.8 7.8 1.8 55 57 A L H < S+ 0 0 22 -4,-3.4 -2,-0.2 1,-0.2 4,-0.2 0.892 117.4 44.4 -59.2 -39.4 34.6 7.5 5.7 56 58 A L H >< S+ 0 0 12 -4,-2.9 3,-1.1 -5,-0.2 -1,-0.2 0.891 110.1 50.4 -75.7 -43.5 33.9 3.7 5.3 57 59 A I H 3< S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.761 113.0 52.0 -59.5 -26.7 36.6 2.9 2.7 58 60 A R T 3< S+ 0 0 153 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.430 90.7 91.5 -92.9 -3.7 39.1 4.7 5.0 59 61 A K S < S- 0 0 41 -3,-1.1 2,-0.2 -4,-0.2 -18,-0.0 -0.714 70.0-133.3 -94.2 145.2 38.3 2.9 8.3 60 62 A S > - 0 0 47 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 -0.560 22.4-114.5 -85.6 161.6 40.2 -0.2 9.4 61 63 A N G > S+ 0 0 49 1,-0.2 3,-1.4 -2,-0.2 14,-0.3 0.871 114.0 57.0 -60.5 -35.9 38.4 -3.4 10.7 62 64 A H G 3 S+ 0 0 170 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.572 87.2 75.2 -80.1 -7.8 39.9 -3.0 14.1 63 65 A S G < S+ 0 0 43 -3,-0.9 2,-0.6 -43,-0.1 -42,-0.6 0.587 82.5 83.6 -74.6 -12.4 38.5 0.5 14.6 64 66 A F E < -B 20 0A 2 -3,-1.4 2,-0.7 -4,-0.2 11,-0.4 -0.830 64.8-164.0 -90.4 122.7 35.1 -1.1 15.2 65 67 A L E -B 19 0A 56 -46,-2.4 -46,-2.2 -2,-0.6 2,-0.5 -0.926 9.1-176.7-105.3 112.7 34.6 -2.3 18.7 66 68 A V E -BE 18 73A 0 7,-0.7 7,-2.8 -2,-0.7 2,-0.4 -0.946 3.8-168.9-111.6 127.5 31.6 -4.8 18.9 67 69 A Q E -BE 17 72A 49 -50,-2.4 -50,-2.4 -2,-0.5 2,-0.7 -0.975 17.8-165.8-120.5 126.0 30.6 -6.1 22.3 68 70 A A E > S- E 0 71A 22 3,-3.0 3,-2.5 -2,-0.4 -52,-0.1 -0.952 81.9 -48.0-103.9 108.5 28.2 -9.0 23.1 69 71 A G T 3 S- 0 0 63 -2,-0.7 -52,-0.2 1,-0.3 50,-0.0 -0.466 124.5 -26.9 51.6-130.1 27.7 -8.3 26.8 70 72 A N T 3 S+ 0 0 158 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.525 118.3 106.2 -79.4 -5.2 31.3 -7.9 28.0 71 73 A V E < -E 68 0A 94 -3,-2.5 -3,-3.0 1,-0.0 2,-0.1 -0.667 65.1-138.4 -94.9 117.7 32.7 -10.0 25.2 72 74 A Q E -E 67 0A 120 -2,-0.6 2,-0.5 -5,-0.2 -5,-0.2 -0.434 11.7-155.3 -68.1 139.3 34.5 -8.3 22.3 73 75 A L E -E 66 0A 6 -7,-2.8 -7,-0.7 -2,-0.1 2,-0.3 -0.986 19.7-126.8-116.7 120.2 33.8 -9.7 18.9 74 76 A R - 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