==== 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 05-JUN-07 2Q6G . COMPND 2 MOLECULE: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS (SA . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR X.Y.XUE,H.T.YANG,F.XUE,M.BARTLAM,Z.H.RAO . 626 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 23.3 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 2.2 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 . 68 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 1 4 1 1 1 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 2 8 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 1 1 0 2 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 78 0, 0.0 2,-0.4 0, 0.0 444,-0.2 0.000 360.0 360.0 360.0 37.6 86.5 -29.5 29.8 2 2 A G - 0 0 28 442,-0.1 2,-1.2 441,-0.0 281,-0.1 -0.987 360.0-128.4-141.8 130.5 86.6 -28.3 26.2 3 3 A F + 0 0 33 -2,-0.4 2,-0.1 279,-0.3 442,-0.1 -0.669 40.0 165.0 -90.3 95.4 89.7 -26.7 24.7 4 4 A R - 0 0 34 -2,-1.2 2,-1.6 1,-0.0 430,-0.1 -0.409 51.8 -88.3 -98.3 175.1 88.7 -23.4 23.2 5 5 A K - 0 0 60 428,-0.2 122,-0.3 -2,-0.1 428,-0.2 -0.610 52.1-161.2 -86.3 79.8 90.9 -20.4 22.0 6 6 A M - 0 0 7 -2,-1.6 2,-0.3 426,-0.1 426,-0.2 -0.387 4.6-161.8 -65.0 132.1 91.0 -18.5 25.3 7 7 A A B -A 431 0A 2 424,-2.5 424,-3.1 -2,-0.1 120,-0.1 -0.810 29.4 -97.7-111.6 156.6 91.9 -14.9 25.2 8 8 A F - 0 0 6 -2,-0.3 422,-0.2 422,-0.2 421,-0.1 -0.413 49.6 -92.8 -70.3 145.2 93.1 -12.8 28.1 9 9 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.414 41.3-151.2 -55.7 139.6 90.4 -10.7 29.8 10 10 A S >> + 0 0 0 1,-0.2 4,-2.2 2,-0.1 3,-1.0 0.404 62.4 107.0-101.7 4.3 90.8 -7.4 28.0 11 11 A G H 3> S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 78.7 53.1 -45.4 -55.2 89.6 -4.8 30.5 12 12 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.759 113.4 42.6 -55.0 -31.3 93.1 -3.5 31.2 13 13 A V H X4 S+ 0 0 1 -3,-1.0 3,-1.9 1,-0.2 4,-0.3 0.809 104.8 63.6 -86.3 -31.9 93.9 -2.8 27.6 14 14 A E H >< S+ 0 0 31 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.832 96.2 61.0 -58.8 -32.9 90.5 -1.4 26.8 15 15 A G T 3< S+ 0 0 14 -4,-1.4 82,-0.3 1,-0.2 -1,-0.3 0.270 103.5 50.9 -79.6 12.6 91.3 1.4 29.2 16 16 A C T < S+ 0 0 0 -3,-1.9 15,-3.5 82,-0.1 2,-0.5 0.342 82.6 110.0-125.9 -1.0 94.3 2.4 27.0 17 17 A M E < +J 30 0B 15 -3,-1.1 2,-0.3 -4,-0.3 13,-0.2 -0.689 38.8 164.8 -87.5 126.4 92.5 2.7 23.7 18 18 A V E -J 29 0B 2 11,-2.8 11,-4.0 -2,-0.5 2,-0.4 -0.907 34.9-114.9-133.1 161.0 92.1 6.1 22.1 19 19 A Q E -JK 28 69B 27 50,-3.0 50,-2.8 -2,-0.3 2,-0.4 -0.797 25.2-163.7 -99.0 136.9 91.2 7.5 18.7 20 20 A V E -JK 27 68B 0 7,-3.4 7,-2.9 -2,-0.4 2,-0.4 -0.985 6.1-173.0-123.5 131.7 93.8 9.5 16.8 21 21 A T E -JK 26 67B 3 46,-1.9 46,-2.3 -2,-0.4 2,-0.6 -0.987 12.8-174.1-131.4 127.2 92.9 11.6 13.8 22 22 A C E > S-J 25 0B 5 3,-3.5 3,-2.3 -2,-0.4 2,-0.9 -0.909 72.3 -54.9-120.0 98.8 95.1 13.5 11.4 23 23 A G T 3 S- 0 0 70 -2,-0.6 22,-0.1 42,-0.5 20,-0.1 -0.580 123.8 -19.9 72.2-105.6 93.0 15.6 9.1 24 24 A T T 3 S+ 0 0 44 -2,-0.9 595,-1.5 595,-0.1 2,-0.6 0.358 118.3 98.4-115.5 -0.5 90.7 13.0 7.6 25 25 A T E < -JL 22 618B 11 -3,-2.3 -3,-3.5 17,-0.2 2,-0.4 -0.812 53.8-179.5 -91.9 121.1 92.9 10.0 8.5 26 26 A T E +JL 21 617B 1 591,-1.3 591,-3.6 -2,-0.6 2,-0.3 -0.938 10.1 143.9-126.3 146.8 91.7 8.3 11.7 27 27 A L E -J 20 0B 1 -7,-2.9 -7,-3.4 -2,-0.4 2,-0.3 -0.920 44.7 -69.7-160.3-174.6 93.0 5.3 13.7 28 28 A N E -J 19 0B 0 117,-2.5 2,-0.3 -2,-0.3 -9,-0.2 -0.642 37.5-163.1 -94.2 147.3 93.6 3.7 17.1 29 29 A G E -J 18 0B 0 -11,-4.0 -11,-2.8 -2,-0.3 2,-0.6 -0.935 17.5-131.9-130.0 152.5 96.1 4.8 19.7 30 30 A L E -JM 17 37B 0 7,-3.1 7,-3.1 -2,-0.3 2,-0.7 -0.914 21.6-157.6-105.0 118.1 97.6 3.2 22.8 31 31 A W E + M 0 36B 23 -15,-3.5 2,-0.5 -2,-0.6 5,-0.2 -0.846 21.5 162.0-104.5 104.7 97.5 5.5 25.9 32 32 A L E > - M 0 35B 1 3,-2.1 3,-1.6 -2,-0.7 -16,-0.1 -0.987 65.1 -44.1-123.6 125.2 100.0 4.8 28.6 33 33 A D T 3 S- 0 0 69 -2,-0.5 62,-2.3 62,-0.4 2,-0.2 -0.252 123.4 -21.5 50.6-138.0 100.8 7.5 31.2 34 34 A D T 3 S+ 0 0 75 60,-0.3 57,-1.6 58,-0.1 2,-0.3 -0.126 123.2 83.2 -93.5 39.7 101.3 10.8 29.4 35 35 A T E < -MN 32 90B 20 -3,-1.6 -3,-2.1 55,-0.2 2,-0.4 -0.995 57.2-157.1-141.9 144.9 102.0 9.2 26.0 36 36 A V E -MN 31 89B 0 53,-1.9 53,-2.2 -2,-0.3 2,-0.4 -0.988 12.9-157.0-120.8 129.6 99.9 7.9 23.1 37 37 A Y E +MN 30 88B 13 -7,-3.1 -7,-3.1 -2,-0.4 51,-0.2 -0.904 24.5 150.0-108.7 138.0 101.4 5.4 20.7 38 38 A C E - N 0 87B 0 49,-1.2 49,-2.3 -2,-0.4 -9,-0.1 -0.986 51.0 -78.8-159.1 160.9 100.0 4.9 17.2 39 39 A P E > - N 0 86B 0 0, 0.0 3,-2.0 0, 0.0 47,-0.3 -0.416 35.1-131.5 -65.7 136.7 101.1 3.9 13.6 40 40 A R G > S+ 0 0 26 45,-2.9 3,-2.3 1,-0.3 46,-0.1 0.740 97.6 88.2 -60.6 -19.2 102.8 6.8 11.8 41 41 A A G > + 0 0 0 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.684 69.6 78.7 -51.8 -17.5 100.5 5.9 8.9 42 42 A V G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -20,-0.3 0.853 84.7 57.3 -62.6 -35.4 98.1 8.3 10.7 43 43 A I G < S+ 0 0 4 -3,-2.3 -1,-0.3 -4,-0.2 2,-0.2 0.214 89.7 109.1 -81.0 15.7 100.0 11.4 9.3 44 44 A C < - 0 0 4 -3,-1.5 2,-0.3 -4,-0.1 -19,-0.1 -0.638 58.5-149.3 -92.0 153.3 99.3 9.9 5.8 45 45 A T > - 0 0 57 3,-0.4 3,-1.6 -2,-0.2 -22,-0.0 -0.824 31.8-100.9-117.1 157.4 96.9 11.4 3.4 46 46 A A T 3 S+ 0 0 80 -2,-0.3 3,-0.4 1,-0.3 -1,-0.0 0.788 119.1 43.2 -48.7 -39.8 94.8 9.5 0.8 47 47 A E T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.520 110.5 59.0 -88.6 -4.4 97.0 10.3 -2.3 48 48 A D < + 0 0 50 -3,-1.6 -3,-0.4 1,-0.1 -1,-0.2 -0.475 69.3 101.7-122.6 62.4 100.3 9.7 -0.4 49 49 A M + 0 0 26 -3,-0.4 140,-2.7 -2,-0.2 -1,-0.1 0.390 66.4 70.3-120.4 -0.6 100.1 6.1 0.8 50 50 A L S S- 0 0 109 -3,-0.2 -2,-0.1 138,-0.2 -3,-0.0 0.956 124.8 -5.7 -81.6 -60.5 102.3 4.4 -1.7 51 51 A N S S- 0 0 106 137,-0.1 2,-0.2 138,-0.1 -1,-0.1 -0.438 80.4-177.3-135.4 62.3 105.7 5.7 -0.8 52 52 A P - 0 0 0 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.415 23.8-140.8 -62.9 120.8 105.1 8.3 2.0 53 53 A N > - 0 0 87 -2,-0.2 4,-2.2 1,-0.2 3,-0.2 -0.742 22.0-172.2 -84.7 99.8 108.2 10.0 3.1 54 54 A Y H > S+ 0 0 1 -2,-1.4 4,-2.8 1,-0.2 5,-0.3 0.943 76.0 59.9 -59.2 -53.4 107.3 10.1 6.8 55 55 A E H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.863 112.8 42.0 -44.4 -40.7 110.2 12.2 8.0 56 56 A D H > S+ 0 0 84 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.911 111.8 51.5 -75.6 -44.1 109.0 14.9 5.6 57 57 A L H < S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 110.3 51.9 -62.1 -30.0 105.2 14.6 6.3 58 58 A L H >< S+ 0 0 22 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.833 98.9 64.0 -76.1 -32.2 106.0 14.8 10.0 59 59 A I H 3< S+ 0 0 132 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.816 102.0 49.8 -60.2 -32.9 108.0 18.0 9.6 60 60 A R T 3< S+ 0 0 173 -4,-1.0 2,-0.3 -3,-0.2 -1,-0.3 0.277 98.5 88.4 -91.9 11.5 104.9 19.9 8.4 61 61 A K < - 0 0 65 -3,-1.7 2,-0.3 3,-0.0 -18,-0.0 -0.774 54.8-171.2-107.6 153.5 102.8 18.7 11.3 62 62 A S > - 0 0 49 -2,-0.3 3,-2.3 17,-0.0 4,-0.5 -0.842 45.9 -90.9-133.7 171.2 102.4 20.3 14.7 63 63 A N G > S+ 0 0 45 1,-0.3 3,-1.2 -2,-0.3 14,-0.3 0.836 127.7 58.9 -54.6 -30.8 100.8 19.3 18.0 64 64 A H G 3 S+ 0 0 177 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.701 90.5 72.0 -71.6 -17.3 97.6 20.9 16.8 65 65 A S G < S+ 0 0 37 -3,-2.3 2,-0.5 -43,-0.1 -42,-0.5 0.695 88.7 74.9 -69.4 -19.2 97.7 18.6 13.7 66 66 A F < - 0 0 6 -3,-1.2 2,-0.7 -4,-0.5 11,-0.4 -0.858 60.6-167.2-105.2 125.3 96.8 15.7 16.0 67 67 A L E -K 21 0B 38 -46,-2.3 -46,-1.9 -2,-0.5 2,-0.6 -0.902 12.1-174.5-108.7 101.7 93.2 15.2 17.4 68 68 A V E -KO 20 75B 0 -2,-0.7 7,-3.5 7,-0.7 2,-0.4 -0.880 6.1-174.8-101.3 115.5 93.4 12.6 20.1 69 69 A Q E -KO 19 74B 41 -50,-2.8 -50,-3.0 -2,-0.6 2,-0.4 -0.893 19.6-178.5-116.9 144.1 90.1 11.5 21.5 70 70 A A E > S- O 0 73B 25 3,-2.2 3,-0.9 -2,-0.4 2,-0.2 -0.942 74.4 -45.7-135.0 105.3 89.1 9.3 24.4 71 71 A G T 3 S- 0 0 73 -2,-0.4 -52,-0.1 1,-0.3 50,-0.0 -0.487 119.6 -29.4 67.2-133.9 85.4 9.0 24.6 72 72 A N T 3 S+ 0 0 161 -2,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.802 121.2 93.8 -84.4 -31.9 83.9 12.5 24.3 73 73 A V E < -O 70 0B 93 -3,-0.9 -3,-2.2 -4,-0.1 2,-0.5 -0.212 69.2-138.3 -63.8 149.9 87.0 14.1 25.9 74 74 A Q E -O 69 0B 127 -5,-0.2 2,-0.7 -7,-0.0 -5,-0.2 -0.949 10.6-141.2-112.6 127.7 89.9 15.5 23.7 75 75 A L E -O 68 0B 5 -7,-3.5 -7,-0.7 -2,-0.5 2,-0.5 -0.813 18.1-134.0 -91.6 116.8 93.4 14.8 24.8 76 76 A R - 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