==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 26-JAN-05 1YO4 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN X4; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR K.HAENEL,T.STANGLER,M.STOLDT,D.WILLBOLD . 87 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 23.0 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 20 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 -2 A G 0 0 107 0, 0.0 2,-0.1 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0-164.9 -11.6 -15.4 10.0 2 -1 A P - 0 0 74 0, 0.0 57,-2.4 0, 0.0 2,-0.6 -0.425 360.0-137.5 -79.0 155.7 -8.4 -14.8 8.0 3 1 A E B -a 59 0A 95 55,-0.2 2,-1.0 -2,-0.1 57,-0.2 -0.938 13.9-167.6-117.7 107.4 -7.3 -11.4 6.6 4 2 A L - 0 0 69 55,-3.5 2,-0.5 -2,-0.6 57,-0.2 -0.777 11.8-156.5 -99.1 92.0 -5.9 -11.6 3.1 5 3 A Y + 0 0 131 -2,-1.0 2,-0.3 55,-0.2 57,-0.2 -0.553 16.9 178.6 -75.9 119.6 -4.3 -8.2 2.5 6 4 A H E -b 62 0A 84 55,-3.4 57,-3.2 -2,-0.5 2,-0.3 -0.832 12.7-155.6-118.4 157.3 -4.1 -7.4 -1.2 7 5 A Y E -b 63 0A 127 -2,-0.3 2,-0.4 55,-0.3 57,-0.2 -0.966 3.3-165.2-132.1 149.8 -2.7 -4.4 -3.0 8 6 A Q E -b 64 0A 67 55,-2.7 57,-3.4 -2,-0.3 2,-0.5 -0.998 10.8-147.3-135.9 132.9 -3.4 -2.9 -6.4 9 7 A E E +b 65 0A 48 -2,-0.4 2,-0.3 55,-0.2 57,-0.2 -0.867 28.5 154.9-104.4 127.6 -1.4 -0.3 -8.2 10 8 A a E -b 66 0A 21 55,-1.8 57,-2.8 -2,-0.5 2,-0.2 -0.994 48.7 -92.7-150.6 150.1 -3.0 2.3 -10.5 11 9 A V E > -b 67 0A 69 -2,-0.3 3,-2.1 55,-0.3 2,-0.3 -0.414 54.3-101.2 -67.0 127.0 -2.3 5.7 -11.8 12 10 A R T 3 S+ 0 0 144 55,-2.0 34,-0.2 1,-0.2 -1,-0.1 -0.302 106.2 23.9 -57.7 108.4 -3.9 8.3 -9.6 13 11 A G T 3 S+ 0 0 52 32,-2.2 -1,-0.2 1,-0.4 33,-0.1 0.038 98.9 97.0 129.7 -24.5 -7.1 9.5 -11.2 14 12 A T S < S- 0 0 69 -3,-2.1 31,-3.0 31,-0.2 2,-0.5 -0.059 76.4 -97.2 -85.9-172.5 -8.0 6.6 -13.5 15 13 A T E -E 44 0B 102 29,-0.3 29,-0.2 -3,-0.1 2,-0.2 -0.946 28.2-153.4-116.2 120.3 -10.5 3.8 -12.9 16 14 A V E -E 43 0B 7 27,-3.2 27,-1.8 -2,-0.5 2,-0.5 -0.603 7.4-147.2 -84.2 151.5 -9.4 0.3 -11.7 17 15 A L E -E 42 0B 88 -2,-0.2 2,-0.4 25,-0.2 25,-0.2 -0.722 20.4-168.7-118.6 77.9 -11.4 -2.7 -12.6 18 16 A L E -E 41 0B 15 23,-1.7 23,-1.5 -2,-0.5 2,-0.3 -0.545 21.6-124.8 -75.3 123.5 -10.9 -4.9 -9.5 19 17 A K E -E 40 0B 103 -2,-0.4 21,-0.3 21,-0.2 20,-0.1 -0.527 30.6-107.6 -69.3 128.5 -12.2 -8.5 -10.0 20 18 A E - 0 0 37 19,-2.9 -1,-0.1 -2,-0.3 20,-0.0 -0.421 27.0-158.8 -59.6 112.1 -14.6 -9.5 -7.4 21 19 A P S S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.873 75.2 17.2 -61.9 -38.7 -12.8 -12.0 -5.2 22 20 A b S S- 0 0 17 36,-0.0 3,-0.4 -3,-0.0 2,-0.1 -0.999 85.1-106.7-143.5 136.7 -16.0 -13.5 -3.8 23 21 A P S S+ 0 0 101 0, 0.0 32,-0.6 0, 0.0 16,-0.0 -0.384 98.4 4.2 -62.8 133.5 -19.7 -13.5 -4.9 24 22 A S S S+ 0 0 110 1,-0.1 2,-0.2 -2,-0.1 31,-0.2 0.978 92.1 162.0 55.8 68.1 -22.0 -11.4 -2.7 25 23 A G - 0 0 24 -3,-0.4 2,-0.7 29,-0.2 29,-0.3 -0.687 43.9-101.8-115.5 168.7 -19.4 -9.8 -0.4 26 24 A T E -C 53 0A 89 27,-3.5 27,-2.8 -2,-0.2 2,-0.8 -0.813 27.9-145.3 -94.0 115.4 -19.3 -6.8 1.9 27 25 A Y E -C 52 0A 41 -2,-0.7 2,-0.8 25,-0.2 25,-0.2 -0.720 16.1-165.7 -80.6 111.8 -17.4 -3.8 0.5 28 26 A E E +C 51 0A 95 23,-3.2 23,-2.0 -2,-0.8 2,-0.3 -0.869 42.0 76.7-105.1 104.7 -15.7 -2.2 3.4 29 27 A G S S- 0 0 41 -2,-0.8 21,-0.1 21,-0.2 4,-0.1 -0.918 75.2-112.9 172.2 165.4 -14.4 1.3 2.6 30 28 A N S S+ 0 0 142 19,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.645 87.7 98.7 -86.6 -18.7 -15.2 5.0 2.0 31 29 A S S S- 0 0 14 1,-0.1 -2,-0.1 18,-0.1 2,-0.1 -0.245 88.8 -87.9 -67.0 155.9 -14.3 4.6 -1.6 32 30 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.364 34.7-149.8 -65.5 141.3 -17.0 4.1 -4.3 33 31 A F + 0 0 78 -3,-0.1 10,-0.1 10,-0.1 8,-0.1 -0.975 20.1 171.5-114.4 124.8 -18.2 0.6 -5.1 34 32 A H - 0 0 120 -2,-0.5 8,-2.3 8,-0.3 2,-0.4 -0.836 26.5-141.7-138.0 97.0 -19.5 0.0 -8.6 35 33 A P E -F 41 0B 83 0, 0.0 6,-0.3 0, 0.0 2,-0.1 -0.424 30.0-170.2 -61.0 112.9 -20.2 -3.6 -9.7 36 34 A L E >> -F 40 0B 79 4,-2.4 4,-1.3 -2,-0.4 3,-0.6 -0.411 31.8 -65.5-100.8 177.8 -19.1 -3.8 -13.3 37 35 A A T 34 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 -0.339 116.8 25.9 -66.1 142.7 -19.5 -6.4 -16.0 38 36 A D T 34 S- 0 0 102 1,-0.1 -1,-0.2 -3,-0.1 -18,-0.2 0.857 135.1 -60.8 71.0 38.9 -17.8 -9.8 -15.4 39 37 A N T <4 S+ 0 0 90 -3,-0.6 -19,-2.9 1,-0.2 2,-0.3 0.970 99.9 127.0 56.5 65.5 -17.9 -9.5 -11.6 40 38 A K E < -EF 19 36B 48 -4,-1.3 -4,-2.4 -21,-0.3 2,-0.3 -0.820 49.2-138.1-134.7 178.1 -15.8 -6.4 -11.0 41 39 A F E -EF 18 35B 1 -23,-1.5 -23,-1.7 -6,-0.3 2,-0.4 -0.957 17.4-135.4-144.4 125.8 -16.0 -3.1 -9.3 42 40 A A E +E 17 0B 16 -8,-2.3 2,-0.3 -2,-0.3 -8,-0.3 -0.652 29.3 175.6 -83.4 132.1 -14.7 0.2 -10.7 43 41 A L E -E 16 0B 2 -27,-1.8 -27,-3.2 -2,-0.4 2,-0.6 -0.976 37.0-107.2-136.7 146.6 -12.7 2.4 -8.4 44 42 A T E -E 15 0B 67 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.3 -0.664 42.3-118.2 -73.0 115.9 -10.9 5.7 -8.7 45 43 A a + 0 0 1 -31,-3.0 -32,-2.2 -2,-0.6 2,-0.3 -0.420 63.4 130.5 -57.0 109.1 -7.2 4.8 -8.6 46 44 A T - 0 0 54 -2,-0.5 2,-1.6 -34,-0.2 -36,-0.1 -0.947 69.7 -78.5-156.3 169.3 -6.0 6.7 -5.5 47 45 A S S S+ 0 0 67 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.614 82.9 113.4 -80.6 87.8 -4.0 6.2 -2.3 48 46 A T E - D 0 64A 25 -2,-1.6 16,-3.3 16,-0.7 2,-0.3 -0.854 54.1-135.5-143.3 176.4 -6.6 4.4 -0.2 49 47 A H E + D 0 63A 113 -2,-0.3 -19,-0.3 14,-0.2 14,-0.3 -0.965 26.4 160.8-144.3 127.3 -7.4 1.1 1.5 50 48 A F E - D 0 62A 5 12,-3.2 12,-3.8 -2,-0.3 2,-0.3 -0.578 22.0-135.9-125.9-169.0 -10.6 -0.8 1.5 51 49 A A E -CD 28 61A 3 -23,-2.0 -23,-3.2 10,-0.3 2,-0.5 -0.990 4.2-143.6-153.1 156.6 -11.6 -4.4 2.1 52 50 A F E -CD 27 60A 2 8,-2.2 8,-3.4 -2,-0.3 2,-0.7 -0.955 12.0-163.5-127.7 111.7 -13.9 -7.2 0.8 53 51 A A E -CD 26 59A 16 -27,-2.8 -27,-3.5 -2,-0.5 6,-0.2 -0.847 15.6-152.1 -97.1 113.6 -15.6 -9.5 3.3 54 52 A b > - 0 0 9 4,-2.7 3,-1.9 -2,-0.7 -29,-0.2 -0.415 28.1-110.6 -84.6 159.7 -16.8 -12.6 1.5 55 53 A A T 3 S+ 0 0 92 -32,-0.6 -1,-0.1 1,-0.3 -30,-0.1 0.717 119.1 64.6 -59.8 -21.3 -19.8 -14.7 2.6 56 54 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.778 120.7-110.0 -70.0 -25.8 -17.2 -17.3 3.5 57 55 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.4 -2,-0.1 0.286 71.1 144.3 108.0 -7.0 -15.9 -15.0 6.2 58 56 A T - 0 0 22 -57,-0.1 -4,-2.7 -55,-0.1 2,-0.8 -0.511 41.1-148.4 -68.0 123.0 -12.7 -14.4 4.3 59 57 A R E -aD 3 53A 62 -57,-2.4 -55,-3.5 -2,-0.3 2,-0.9 -0.849 12.5-171.3 -97.3 107.9 -11.5 -10.8 4.7 60 58 A H E - D 0 52A 25 -8,-3.4 -8,-2.2 -2,-0.8 -55,-0.2 -0.819 8.9-160.5-101.6 94.4 -9.7 -9.5 1.6 61 59 A T E - D 0 51A 8 -2,-0.9 -55,-3.4 -10,-0.3 2,-0.4 -0.456 6.6-154.6 -69.8 146.4 -8.2 -6.2 2.5 62 60 A Y E -bD 6 50A 21 -12,-3.8 -12,-3.2 -57,-0.2 2,-0.4 -0.935 8.8-164.8-135.9 112.5 -7.3 -4.1 -0.6 63 61 A Q E -bD 7 49A 75 -57,-3.2 -55,-2.7 -2,-0.4 2,-0.5 -0.737 11.0-149.1 -90.4 140.9 -4.7 -1.3 -0.8 64 62 A L E -bD 8 48A 5 -16,-3.3 2,-1.0 -2,-0.4 -16,-0.7 -0.956 4.1-159.3-112.9 121.9 -4.7 1.1 -3.7 65 63 A R E -b 9 0A 85 -57,-3.4 -55,-1.8 -2,-0.5 2,-0.4 -0.794 12.0-150.3-106.1 89.2 -1.4 2.4 -4.7 66 64 A A E -b 10 0A 22 -2,-1.0 2,-0.8 -57,-0.2 -55,-0.3 -0.454 3.9-150.9 -60.3 113.6 -2.0 5.6 -6.6 67 65 A R E -b 11 0A 90 -57,-2.8 -55,-2.0 -2,-0.4 -1,-0.1 -0.828 19.3-146.8 -87.7 109.7 0.8 6.1 -9.2 68 66 A S - 0 0 34 -2,-0.8 -1,-0.0 2,-0.4 -55,-0.0 0.062 37.0 -82.6 -66.1-178.0 1.1 9.8 -9.6 69 67 A V S S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.828 135.1 46.7 -58.1 -31.4 2.0 11.6 -12.9 70 68 A S S S- 0 0 60 1,-0.1 -2,-0.4 2,-0.1 -1,-0.3 -0.850 74.8-176.3-109.3 92.2 5.5 10.8 -11.8 71 69 A P S S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.228 83.1 39.8 -77.0 17.4 5.3 7.1 -10.8 72 70 A K + 0 0 150 7,-0.1 2,-1.5 6,-0.1 3,-0.1 0.593 68.3 144.0-122.9 -65.2 8.9 7.2 -9.7 73 71 A L - 0 0 61 1,-0.2 6,-0.2 7,-0.0 3,-0.2 -0.392 25.4-172.9 63.0 -86.0 9.6 10.6 -8.0 74 72 A F + 0 0 155 -2,-1.5 2,-1.7 1,-0.2 5,-0.3 0.932 12.1 178.1 56.2 50.0 12.0 9.5 -5.2 75 73 A I - 0 0 101 3,-1.0 2,-1.9 4,-0.6 -1,-0.2 -0.575 64.9 -68.7 -87.3 75.0 11.8 13.0 -3.7 76 74 A R S S+ 0 0 247 -2,-1.7 2,-0.4 -3,-0.2 -1,-0.1 -0.110 136.3 55.7 75.2 -41.0 14.1 12.6 -0.7 77 75 A Q S S- 0 0 108 -2,-1.9 -2,-0.2 1,-0.5 -3,-0.1 -0.643 118.3 -85.6-126.5 71.8 11.6 10.2 0.9 78 76 A E S S- 0 0 63 -2,-0.4 -3,-1.0 -4,-0.2 -1,-0.5 -0.171 85.5 -37.7 57.7-155.9 10.9 7.4 -1.5 79 77 A E S S- 0 0 41 -5,-0.3 -4,-0.6 -6,-0.2 -1,-0.2 0.982 126.5 -34.8 -60.5 -58.2 8.2 8.1 -4.1 80 78 A V S S- 0 0 63 -6,-0.1 -2,-0.1 -7,-0.1 -1,-0.0 0.541 80.2-160.7-135.7 -33.4 5.9 10.0 -1.7 81 79 A Q + 0 0 15 1,-0.1 5,-0.1 2,-0.0 -3,-0.1 0.009 61.9 90.2 61.3-178.4 6.3 8.4 1.7 82 80 A Q S S+ 0 0 147 3,-0.1 4,-0.1 1,-0.1 -1,-0.1 0.374 86.7 71.8 72.0 -4.8 3.8 8.8 4.6 83 81 A E S S+ 0 0 112 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.224 110.8 22.6-114.2 7.1 2.2 5.7 3.1 84 82 A L S S+ 0 0 94 -4,-0.0 2,-0.8 3,-0.0 3,-0.0 0.461 132.2 16.3-132.9 -79.5 5.0 3.5 4.4 85 83 A Y + 0 0 124 1,-0.1 -3,-0.1 0, 0.0 -2,-0.1 -0.665 65.7 147.9-109.1 75.4 7.2 4.6 7.3 86 84 A S 0 0 63 -2,-0.8 -1,-0.1 -4,-0.1 -5,-0.0 0.033 360.0 360.0 -97.0 26.0 5.1 7.4 8.8 87 85 A R 0 0 289 -3,-0.0 -5,-0.1 0, 0.0 -3,-0.0 -0.906 360.0 360.0-165.9 360.0 6.4 6.6 12.3