==== 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 08-MAY-06 2GX4 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.F.HSU,A.H.-J.WANG . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 62.4 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 . 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 . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 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 4 1 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 0 167 0, 0.0 213,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -12.2 -23.1 5.1 24.2 2 2 A G - 0 0 49 212,-0.1 2,-0.3 1,-0.1 280,-0.0 -0.071 360.0-117.4 96.8 164.4 -19.5 6.3 24.4 3 3 A F + 0 0 30 279,-0.1 2,-0.3 297,-0.0 -1,-0.1 -0.910 30.6 173.2-149.3 117.6 -16.2 6.1 22.5 4 4 A R - 0 0 196 -2,-0.3 2,-1.8 2,-0.0 295,-0.0 -0.895 42.6-113.6-126.3 154.4 -13.0 4.6 23.7 5 5 A K - 0 0 80 -2,-0.3 122,-0.3 122,-0.1 2,-0.3 -0.672 55.1-178.4 -82.5 87.9 -9.6 3.8 22.3 6 6 A M - 0 0 83 -2,-1.8 2,-0.2 120,-0.1 120,-0.1 -0.723 19.2-146.6-100.3 146.3 -10.2 0.1 22.6 7 7 A A - 0 0 25 -2,-0.3 120,-0.1 118,-0.1 3,-0.1 -0.535 30.7 -93.4 -98.2 167.2 -7.9 -2.7 21.6 8 8 A F - 0 0 16 142,-0.2 -1,-0.1 -2,-0.2 142,-0.0 -0.491 54.6 -86.0 -78.3 150.2 -8.7 -6.2 20.3 9 9 A P - 0 0 104 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.384 40.4-150.0 -56.9 133.4 -9.1 -9.0 22.8 10 10 A S >> + 0 0 19 1,-0.2 4,-2.2 2,-0.1 3,-1.2 0.508 65.1 104.0 -88.0 -5.8 -5.6 -10.3 23.3 11 11 A G H 3> S+ 0 0 45 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.869 79.0 49.5 -40.6 -61.5 -6.3 -14.0 24.0 12 12 A K H 34 S+ 0 0 78 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.780 116.0 45.8 -54.3 -28.9 -5.3 -15.5 20.7 13 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.2 4,-0.3 0.825 102.7 61.6 -85.6 -32.4 -2.0 -13.6 20.9 14 14 A E H >< S+ 0 0 89 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.886 98.1 59.7 -59.6 -38.8 -1.1 -14.4 24.5 15 15 A G T 3< S+ 0 0 21 -4,-1.6 82,-0.3 1,-0.3 -1,-0.3 0.414 103.4 53.0 -71.8 4.1 -1.0 -18.0 23.6 16 16 A C T < S+ 0 0 1 -3,-1.8 15,-3.5 81,-0.1 2,-0.4 0.394 82.8 107.6-116.9 -1.6 1.8 -17.3 21.1 17 17 A M E < +A 30 0A 13 -3,-1.5 54,-0.3 -4,-0.3 2,-0.3 -0.668 39.8 163.5 -86.6 131.9 4.2 -15.4 23.3 18 18 A V E -A 29 0A 2 11,-2.3 11,-2.9 -2,-0.4 2,-0.4 -0.866 35.7-109.1-136.9 169.8 7.4 -17.1 24.4 19 19 A Q E -AB 28 69A 35 50,-2.6 50,-2.4 -2,-0.3 2,-0.4 -0.832 27.3-166.5-104.6 140.4 10.8 -16.1 25.9 20 20 A V E -AB 27 68A 0 7,-3.2 7,-2.5 -2,-0.4 2,-0.4 -0.992 4.8-173.8-131.3 127.0 14.0 -16.2 23.9 21 21 A T E +AB 26 67A 23 46,-2.9 46,-2.8 -2,-0.4 2,-0.3 -0.928 11.4 165.4-123.5 145.2 17.5 -15.9 25.3 22 22 A C E > -A 25 0A 3 3,-2.4 3,-2.1 -2,-0.4 2,-0.2 -0.915 68.8 -29.4-155.4 126.3 20.9 -15.7 23.7 23 23 A G T 3 S- 0 0 64 42,-0.4 22,-0.1 -2,-0.3 20,-0.1 -0.480 125.9 -31.8 63.9-126.2 24.1 -14.7 25.5 24 24 A T T 3 S+ 0 0 125 -2,-0.2 2,-0.4 20,-0.2 -1,-0.3 0.361 117.9 101.0-106.0 2.9 23.0 -12.4 28.3 25 25 A T E < -A 22 0A 43 -3,-2.1 -3,-2.4 17,-0.3 2,-0.4 -0.733 46.5-177.6 -95.1 135.7 20.0 -11.0 26.3 26 26 A T E +A 21 0A 49 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.999 14.9 146.6-133.3 130.7 16.4 -12.1 26.9 27 27 A L E -A 20 0A 3 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.2 -0.870 45.1 -75.6-148.8-179.3 13.4 -10.9 25.0 28 28 A N E -A 19 0A 0 117,-2.6 2,-0.3 -2,-0.3 -9,-0.2 -0.527 36.9-164.6 -88.9 152.9 10.0 -12.1 23.7 29 29 A G E -A 18 0A 0 -11,-2.9 -11,-2.3 -2,-0.2 2,-0.6 -0.920 19.0-125.9-132.6 158.8 9.3 -14.3 20.7 30 30 A L E -AC 17 37A 0 7,-2.5 7,-2.2 -2,-0.3 2,-0.8 -0.924 21.5-158.6-110.1 116.0 6.2 -15.1 18.6 31 31 A W E + C 0 36A 20 -15,-3.5 2,-0.4 -2,-0.6 5,-0.2 -0.816 20.5 162.8-102.4 105.8 5.5 -18.8 18.4 32 32 A L E > - C 0 35A 1 3,-1.9 3,-2.3 -2,-0.8 -2,-0.0 -0.983 66.3 -39.5-121.0 129.5 3.3 -19.8 15.4 33 33 A D T 3 S- 0 0 72 -2,-0.4 62,-3.3 62,-0.4 64,-0.1 -0.335 124.4 -26.7 53.1-125.6 3.2 -23.5 14.3 34 34 A D T 3 S+ 0 0 63 60,-0.3 57,-2.0 58,-0.1 2,-0.4 0.004 120.7 87.4-109.0 30.7 6.8 -24.8 14.6 35 35 A T E < -CD 32 90A 20 -3,-2.3 -3,-1.9 55,-0.2 2,-0.5 -0.960 56.4-155.8-129.7 145.8 8.6 -21.4 14.2 36 36 A V E -CD 31 89A 0 53,-2.5 53,-3.2 -2,-0.4 2,-0.4 -0.987 11.3-159.5-122.9 126.3 9.6 -18.7 16.6 37 37 A Y E +CD 30 88A 11 -7,-2.2 -7,-2.5 -2,-0.5 51,-0.2 -0.837 22.2 149.2-106.1 142.9 10.1 -15.1 15.5 38 38 A C E - D 0 87A 0 49,-1.2 49,-2.7 -2,-0.4 -9,-0.1 -0.983 52.7 -71.6-165.2 159.6 12.1 -12.5 17.3 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.344 37.9-137.8 -57.3 131.2 14.3 -9.4 16.9 40 40 A R G > S+ 0 0 42 45,-2.6 3,-1.9 1,-0.3 46,-0.1 0.726 95.9 79.8 -66.3 -17.8 17.7 -10.5 15.4 41 41 A H G > + 0 0 44 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.531 67.8 88.2 -69.1 1.5 19.4 -8.0 17.8 42 42 A V G < S+ 0 0 0 -3,-1.5 -17,-0.3 1,-0.3 -1,-0.3 0.701 81.5 59.3 -69.7 -18.2 18.9 -10.7 20.5 43 43 A I G < S+ 0 0 4 -3,-1.9 -1,-0.3 -4,-0.1 2,-0.2 0.293 87.6 104.9 -92.6 9.6 22.3 -12.1 19.3 44 44 A C < - 0 0 9 -3,-1.5 2,-0.3 -22,-0.1 -20,-0.2 -0.592 56.0-152.0 -92.1 153.8 24.1 -8.9 20.1 45 45 A T >> - 0 0 45 -2,-0.2 4,-1.4 -22,-0.1 3,-1.0 -0.746 41.8 -88.7-114.8 165.7 26.4 -8.2 23.1 46 46 A A T 34 S+ 0 0 71 -2,-0.3 4,-0.2 1,-0.3 3,-0.2 0.825 129.9 40.6 -42.2 -43.9 27.0 -4.8 24.7 47 47 A E T >4 S+ 0 0 146 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.745 108.4 61.1 -80.7 -24.6 29.9 -4.0 22.3 48 48 A D T <4 S+ 0 0 43 -3,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.742 86.1 79.4 -73.2 -23.6 28.1 -5.5 19.2 49 49 A M T 3< S+ 0 0 66 -4,-1.4 140,-3.0 1,-0.2 -1,-0.2 0.736 84.4 57.3 -58.6 -30.5 25.2 -3.0 19.5 50 50 A L S < S- 0 0 103 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.898 131.8 -2.4 -72.3 -41.2 27.0 0.0 18.0 51 51 A N S S+ 0 0 109 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 -0.375 82.9 176.9-150.4 64.4 27.9 -1.5 14.6 52 52 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.407 23.7-152.5 -75.1 144.8 26.8 -5.2 14.5 53 53 A N > - 0 0 80 1,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.930 13.7-169.5-115.5 99.1 27.2 -7.4 11.5 54 54 A Y H > S+ 0 0 14 -2,-0.7 4,-3.2 1,-0.2 5,-0.3 0.860 81.6 53.6 -60.4 -41.9 24.4 -9.9 12.0 55 55 A E H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 114.7 44.1 -62.6 -36.9 25.4 -12.3 9.3 56 56 A D H > S+ 0 0 69 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.947 116.7 44.5 -71.1 -48.3 28.8 -12.5 10.9 57 57 A L H < S+ 0 0 24 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.0 50.1 -63.9 -36.1 27.5 -12.7 14.5 58 58 A L H >< S+ 0 0 15 -4,-3.2 3,-2.5 -5,-0.2 -1,-0.2 0.912 101.3 58.1 -71.7 -44.2 24.9 -15.3 13.5 59 59 A I H 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 98.8 65.6 -57.6 -23.9 27.2 -17.7 11.6 60 60 A R T 3< S+ 0 0 175 -4,-0.9 2,-0.3 -3,-0.2 -1,-0.3 0.382 97.8 66.7 -79.1 2.9 29.1 -17.9 14.9 61 61 A K < - 0 0 63 -3,-2.5 2,-0.2 2,-0.0 -18,-0.0 -0.852 64.4-151.1-125.8 163.1 26.2 -19.5 16.7 62 62 A S > - 0 0 39 -2,-0.3 3,-2.3 17,-0.0 4,-0.3 -0.676 41.7 -87.0-121.5 177.6 24.3 -22.8 16.6 63 63 A N G > S+ 0 0 52 1,-0.3 3,-1.6 -2,-0.2 14,-0.2 0.898 127.1 52.2 -52.9 -44.6 20.8 -24.0 17.3 64 64 A H G 3 S+ 0 0 163 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.440 87.9 80.4 -75.9 4.0 21.6 -24.6 21.0 65 65 A S G < S+ 0 0 38 -3,-2.3 -42,-0.4 -43,-0.1 2,-0.4 0.646 88.6 72.9 -78.4 -13.1 23.0 -21.0 21.2 66 66 A F < - 0 0 9 -3,-1.6 2,-0.6 -4,-0.3 11,-0.3 -0.872 67.0-160.2-109.3 132.6 19.3 -20.2 21.6 67 67 A L E -B 21 0A 67 -46,-2.8 -46,-2.9 -2,-0.4 2,-0.5 -0.937 11.3-175.9-111.2 116.6 17.1 -20.8 24.6 68 68 A V E -BE 20 75A 0 7,-0.7 7,-3.5 -2,-0.6 2,-0.5 -0.954 2.0-175.0-117.0 118.5 13.4 -20.8 23.9 69 69 A Q E -BE 19 74A 59 -50,-2.4 -50,-2.6 -2,-0.5 2,-0.7 -0.947 12.0-165.7-119.3 125.2 10.9 -21.1 26.8 70 70 A A E > - E 0 73A 18 3,-3.2 3,-2.5 -2,-0.5 2,-0.5 -0.918 69.7 -51.6-107.2 110.0 7.2 -21.4 26.5 71 71 A G T 3 S- 0 0 69 -2,-0.7 -52,-0.1 -54,-0.3 -2,-0.0 -0.485 122.7 -24.5 63.9-113.3 5.6 -20.9 29.9 72 72 A N T 3 S+ 0 0 152 -2,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.028 122.4 94.7-118.0 23.6 7.5 -23.3 32.1 73 73 A V E < -E 70 0A 94 -3,-2.5 -3,-3.2 2,-0.0 2,-0.2 -0.968 69.2-133.7-122.6 128.0 8.5 -25.6 29.3 74 74 A Q E -E 69 0A 104 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.533 17.2-145.7 -78.0 141.3 11.7 -25.5 27.3 75 75 A L E -E 68 0A 12 -7,-3.5 -7,-0.7 -2,-0.2 2,-0.6 -0.922 11.8-130.3-110.9 132.7 11.5 -25.7 23.5 76 76 A R - 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