==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/VIRAL PROTEIN 18-NOV-10 2XYR . COMPND 2 MOLECULE: PUTATIVE 2'-O-METHYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR E.DECROLY,C.DEBARNOT,F.FERRON,M.BOUVET,B.COUTARD,I.IMBERT,L. . 403 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 2 1 1 1 0 1 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 2 2 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 . 4 1 1 0 2 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 1 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 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 Q > 0 0 129 0, 0.0 3,-1.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.1 18.1 71.1 0.6 2 4 A A T 3 + 0 0 38 1,-0.3 235,-0.6 235,-0.1 236,-0.4 0.770 360.0 55.3 -60.3 -25.6 18.4 67.5 1.7 3 5 A W T 3 S+ 0 0 193 234,-0.2 -1,-0.3 233,-0.1 188,-0.0 0.695 89.2 95.2 -76.5 -23.7 17.7 66.5 -1.9 4 6 A Q S < S- 0 0 89 -3,-1.2 234,-0.4 1,-0.1 233,-0.1 -0.288 87.6-118.5 -68.3 153.2 20.5 68.5 -3.3 5 7 A P S S- 0 0 23 0, 0.0 186,-2.3 0, 0.0 187,-0.4 0.654 85.7 -51.7 -63.1 -13.7 23.9 66.9 -4.0 6 8 A G E -A 190 0A 1 184,-0.3 2,-0.4 -5,-0.2 184,-0.2 -0.976 68.0 -68.8 166.2-164.9 25.2 69.4 -1.5 7 9 A V E -A 189 0A 12 182,-2.8 182,-3.0 -2,-0.3 2,-0.3 -0.965 30.8-149.4-126.4 127.8 25.3 73.1 -0.5 8 10 A A E -A 188 0A 26 -2,-0.4 180,-0.2 180,-0.2 -2,-0.0 -0.748 36.9 -97.2 -92.9 142.9 27.0 76.0 -2.2 9 11 A M - 0 0 3 178,-2.5 178,-0.1 -2,-0.3 -1,-0.1 -0.418 47.6-122.2 -58.9 117.3 28.3 79.0 -0.3 10 12 A P >> - 0 0 52 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.291 14.4-117.1 -66.3 150.8 25.6 81.6 -0.7 11 13 A N H 3> S+ 0 0 99 1,-0.3 4,-1.7 2,-0.2 3,-0.3 0.844 111.4 67.3 -56.4 -36.3 26.5 85.0 -2.2 12 14 A L H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.884 104.5 43.7 -49.9 -43.2 25.6 86.7 1.1 13 15 A Y H X4 S+ 0 0 43 -3,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.769 107.7 57.7 -78.4 -25.4 28.6 85.0 2.8 14 16 A K H 3< S+ 0 0 19 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.792 102.8 57.2 -71.3 -28.1 31.0 85.7 -0.1 15 17 A M T 3< S+ 0 0 100 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.645 88.1 99.5 -77.7 -17.9 30.3 89.4 0.2 16 18 A Q < - 0 0 67 -3,-0.5 206,-0.1 -4,-0.4 205,-0.1 -0.090 64.8-142.8 -69.7 166.9 31.4 89.6 3.9 17 19 A R + 0 0 208 204,-0.1 -1,-0.1 205,-0.1 202,-0.1 -0.394 38.7 172.7-125.3 54.8 34.8 90.8 5.3 18 20 A M - 0 0 51 200,-0.2 2,-0.2 1,-0.1 204,-0.2 -0.137 32.3-121.1 -65.3 151.4 35.1 88.4 8.2 19 21 A L - 0 0 152 202,-0.1 2,-0.5 203,-0.1 -1,-0.1 -0.615 42.8 -93.0 -83.4 154.7 38.0 87.9 10.5 20 22 A L + 0 0 70 -2,-0.2 2,-0.2 204,-0.1 201,-0.1 -0.608 52.4 174.5 -74.1 118.1 39.5 84.4 10.5 21 23 A E - 0 0 104 -2,-0.5 2,-0.1 200,-0.2 203,-0.1 -0.698 37.8 -90.4-109.0 168.1 38.1 82.2 13.3 22 24 A K - 0 0 175 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.441 44.8-114.1 -67.3 151.0 38.5 78.6 14.3 23 25 A C - 0 0 15 -2,-0.1 2,-0.6 2,-0.1 174,-0.1 -0.833 12.0-146.0 -93.9 129.9 36.1 76.2 12.6 24 26 A D + 0 0 126 -2,-0.5 2,-0.4 200,-0.2 -1,-0.1 -0.127 64.7 107.7 -83.7 37.6 33.7 74.4 15.0 25 27 A L - 0 0 40 -2,-0.6 2,-0.6 172,-0.0 172,-0.2 -0.968 61.4-142.7-133.4 136.5 33.7 71.2 12.9 26 28 A Q - 0 0 116 -2,-0.4 -2,-0.1 169,-0.3 169,-0.0 -0.832 9.9-154.7 -94.7 110.4 35.2 67.7 13.1 27 29 A N S S+ 0 0 54 -2,-0.6 169,-0.2 169,-0.1 2,-0.2 0.567 72.0 58.4 -58.0 -13.9 36.4 66.4 9.7 28 30 A Y + 0 0 205 167,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.485 51.3 113.1-119.3-179.5 35.9 62.7 10.8 29 31 A G - 0 0 59 -2,-0.2 2,-0.4 2,-0.1 0, 0.0 -0.580 69.4 -69.9 135.8 159.1 33.4 60.2 12.1 30 32 A E - 0 0 181 -2,-0.2 2,-0.8 1,-0.0 -2,-0.0 -0.721 60.9-123.8 -74.4 132.0 31.6 57.0 11.1 31 33 A N > - 0 0 45 -2,-0.4 3,-1.1 1,-0.1 -2,-0.1 -0.750 22.7-166.6 -99.1 109.4 29.3 58.3 8.3 32 34 A A T 3 S+ 0 0 96 -2,-0.8 -1,-0.1 1,-0.2 160,-0.0 0.569 83.2 51.3 -66.7 -13.2 25.7 57.5 8.9 33 35 A V T 3 S+ 0 0 33 159,-0.2 -1,-0.2 202,-0.1 160,-0.1 0.546 75.2 107.7-104.1 -8.3 24.6 58.4 5.3 34 36 A I S < S- 0 0 29 -3,-1.1 3,-0.1 158,-0.1 6,-0.1 -0.590 72.8-122.0 -74.9 120.3 26.9 56.4 3.1 35 37 A P > - 0 0 30 0, 0.0 3,-1.8 0, 0.0 8,-0.1 -0.173 43.7 -73.4 -63.1 159.3 25.0 53.5 1.5 36 38 A K T 3 S+ 0 0 188 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.273 115.2 5.9 -66.2 132.7 26.2 50.0 2.1 37 39 A G T 3 S+ 0 0 55 1,-0.3 283,-0.4 -3,-0.1 2,-0.4 0.423 101.6 122.0 79.2 2.1 29.3 48.8 0.3 38 40 A I < - 0 0 18 -3,-1.8 -1,-0.3 281,-0.1 2,-0.2 -0.805 60.8-128.8 -98.0 134.8 29.8 52.3 -1.0 39 41 A M > - 0 0 23 -2,-0.4 4,-2.3 281,-0.4 3,-0.4 -0.555 18.4-122.1 -76.9 144.8 33.0 54.3 -0.3 40 42 A M H > S+ 0 0 46 1,-0.2 4,-2.9 -2,-0.2 5,-0.1 0.908 113.7 52.8 -46.9 -46.2 32.8 57.8 1.0 41 43 A N H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.804 105.2 51.1 -70.1 -30.7 34.8 59.0 -2.0 42 44 A V H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.951 115.8 44.0 -63.4 -47.4 32.5 57.4 -4.6 43 45 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.881 115.6 48.5 -61.3 -41.6 29.6 59.1 -2.8 44 46 A K H X S+ 0 0 14 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.946 114.9 41.9 -69.1 -52.8 31.5 62.4 -2.5 45 47 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.808 110.8 58.5 -64.7 -35.3 32.6 62.6 -6.1 46 48 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.985 109.5 43.6 -55.0 -55.0 29.2 61.4 -7.3 47 49 A Q H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.838 111.5 55.1 -59.8 -33.8 27.7 64.4 -5.5 48 50 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.940 111.5 43.5 -64.5 -47.6 30.4 66.7 -6.8 49 51 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.863 109.7 56.2 -68.0 -36.9 29.6 65.7 -10.4 50 52 A Q H < S+ 0 0 26 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.925 111.1 46.1 -57.1 -43.0 25.9 65.9 -9.7 51 53 A Y H >< S+ 0 0 28 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.932 108.2 54.0 -63.4 -48.0 26.6 69.6 -8.7 52 54 A L H >< S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.3 5,-0.4 0.835 97.5 68.0 -56.8 -30.9 28.8 70.2 -11.7 53 55 A N T 3< S+ 0 0 46 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.772 95.2 56.0 -55.5 -26.9 25.8 69.0 -13.8 54 56 A T T < S+ 0 0 95 -3,-1.9 -1,-0.3 -4,-0.5 2,-0.2 0.424 97.9 81.3 -87.2 -1.5 23.9 72.1 -12.8 55 57 A L S < S- 0 0 20 -3,-1.8 2,-2.0 -4,-0.2 -3,-0.0 -0.670 92.5-105.5-106.3 159.8 26.7 74.4 -14.1 56 58 A T + 0 0 70 -2,-0.2 2,-0.2 215,-0.1 -3,-0.1 -0.390 53.8 172.3 -81.0 61.6 27.4 75.7 -17.6 57 59 A L - 0 0 3 -2,-2.0 2,-0.3 -5,-0.4 103,-0.1 -0.501 33.9-121.9 -66.1 136.7 30.5 73.4 -18.0 58 60 A A - 0 0 4 101,-0.5 103,-0.1 65,-0.2 216,-0.1 -0.653 26.7-169.8 -79.3 136.1 32.0 73.4 -21.5 59 61 A V - 0 0 1 -2,-0.3 193,-1.8 214,-0.2 192,-1.3 -0.726 4.5-167.1-133.9 83.5 32.1 69.9 -22.9 60 62 A P > - 0 0 5 0, 0.0 3,-0.6 0, 0.0 191,-0.2 -0.132 35.0-110.5 -60.1 165.9 34.2 69.6 -26.1 61 63 A Y T 3 S+ 0 0 192 191,-0.4 2,-0.5 1,-0.3 192,-0.1 0.816 119.7 37.2 -66.8 -35.0 33.9 66.5 -28.4 62 64 A N T 3 S- 0 0 124 29,-0.1 -1,-0.3 2,-0.0 29,-0.1 -0.684 91.3-169.0-119.3 74.8 37.4 65.6 -27.3 63 65 A M < - 0 0 1 -3,-0.6 29,-2.3 -2,-0.5 2,-0.5 -0.349 10.1-152.1 -68.0 142.1 37.4 66.6 -23.7 64 66 A R E +b 92 0A 16 27,-0.2 59,-2.4 -2,-0.1 60,-1.2 -0.973 16.9 177.2-119.4 120.7 40.6 66.7 -21.7 65 67 A V E -bc 93 124A 0 27,-3.0 29,-2.8 -2,-0.5 2,-0.4 -0.986 10.7-166.9-128.3 128.0 40.4 66.1 -17.9 66 68 A I E -bc 94 125A 0 58,-2.0 60,-2.3 -2,-0.4 2,-0.6 -0.959 7.0-159.5-116.8 134.0 43.3 65.9 -15.4 67 69 A H E -bc 95 126A 0 27,-3.6 29,-2.2 -2,-0.4 3,-0.5 -0.926 4.0-164.1-120.8 109.4 42.7 64.6 -11.9 68 70 A F E S+bc 96 127A 0 58,-3.2 60,-2.6 -2,-0.6 61,-0.2 -0.719 73.8 21.2 -93.1 143.0 45.1 65.4 -9.0 69 71 A G S S+ 0 0 0 27,-0.7 28,-0.2 -2,-0.3 -1,-0.2 0.890 76.9 147.9 72.3 41.8 45.2 63.5 -5.8 70 72 A A + 0 0 0 26,-2.9 10,-0.4 -3,-0.5 9,-0.3 0.661 44.0 76.5 -82.7 -22.7 43.5 60.5 -7.4 71 73 A G - 0 0 0 25,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.251 58.7-168.9 -85.9 176.9 45.1 57.8 -5.3 72 74 A S > - 0 0 19 335,-0.2 3,-1.3 28,-0.2 -2,-0.0 -0.943 42.3 -94.5-154.7 171.8 44.4 56.7 -1.7 73 75 A D T 3 S+ 0 0 159 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.793 120.5 65.5 -63.8 -25.8 45.8 54.5 1.1 74 76 A K T 3 S- 0 0 88 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.712 111.1-122.1 -66.5 -23.7 43.5 51.8 -0.2 75 77 A G S < S+ 0 0 21 -3,-1.3 27,-2.9 1,-0.4 2,-0.2 0.515 78.2 94.6 93.8 7.3 45.5 51.6 -3.5 76 78 A V B S-h 102 0B 1 25,-0.2 -1,-0.4 242,-0.0 -2,-0.2 -0.750 72.9-123.9-127.9 168.4 42.5 52.4 -5.8 77 79 A A > + 0 0 4 25,-0.6 4,-2.3 -2,-0.2 27,-0.3 -0.656 32.2 164.8-119.9 77.6 41.0 55.5 -7.4 78 80 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.903 80.2 50.5 -61.1 -41.5 37.4 55.8 -6.4 79 81 A G H > S+ 0 0 0 328,-2.1 4,-2.9 -9,-0.3 5,-0.1 0.895 110.1 50.0 -62.3 -42.5 37.1 59.4 -7.5 80 82 A T H > S+ 0 0 0 -10,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.898 106.4 56.3 -62.3 -40.1 38.7 58.5 -10.9 81 83 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.894 110.9 44.4 -60.1 -40.0 36.1 55.7 -11.2 82 84 A V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.933 113.0 49.9 -68.8 -44.8 33.3 58.3 -10.7 83 85 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.3 -2,-0.2 0.971 110.4 50.6 -56.6 -52.2 34.9 60.8 -13.1 84 86 A R H < S+ 0 0 21 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.808 113.4 46.8 -53.1 -34.5 35.3 58.0 -15.7 85 87 A Q H < S+ 0 0 16 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.905 116.1 44.7 -72.8 -43.1 31.6 57.2 -15.2 86 88 A W H < S+ 0 0 0 -4,-3.1 161,-2.8 160,-0.1 -2,-0.2 0.889 99.7 76.7 -68.6 -46.2 30.5 60.8 -15.4 87 89 A L S < S- 0 0 6 -4,-3.0 3,-0.1 -5,-0.2 4,-0.1 -0.156 93.1 -85.8 -74.1 159.8 32.5 62.1 -18.4 88 90 A P > - 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0 0 27 -5,-2.0 2,-0.4 1,-0.0 -3,-0.4 -0.502 47.8-178.2 -76.8 132.5 24.1 34.3 -20.2 403 129 B S + 0 0 113 -2,-0.3 2,-0.2 -5,-0.1 -5,-0.0 -0.924 34.4 114.5-129.3 106.1 21.3 32.0 -21.5 404 130 B C 0 0 76 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.803 360.0 360.0-153.4-173.6 22.3 30.1 -24.7 405 131 B D 0 0 221 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.141 360.0 360.0-119.8 360.0 23.1 26.7 -26.3 406 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 407 1298 A X 0 0 75 0, 0.0 -328,-2.1 0, 0.0 -335,-0.2 0.000 360.0 360.0 360.0 360.0 41.1 60.1 -3.6