==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE 17-MAR-06 2GDT . COMPND 2 MOLECULE: LEADER PROTEIN; P65 HOMOLOG; NSP1 (EC 3.4.22.-); . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.S.ALMEIDA,T.HERRMANN,M.GERALT,M.A.JOHNSON,K.SAIKATENDU, . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 19.0 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 . 0 0.0 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-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 . 15 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 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 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 . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 109 0, 0.0 112,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.5 0.4 -22.5 1.1 2 2 A H - 0 0 76 112,-0.3 2,-0.2 109,-0.1 111,-0.2 0.280 360.0 -73.5 64.8 162.1 1.9 -18.9 1.1 3 3 A V E -A 112 0A 51 109,-2.5 109,-2.8 1,-0.0 2,-0.4 -0.608 44.6-129.9 -79.7 146.8 2.7 -16.9 4.3 4 4 A Q E +A 111 0A 113 107,-0.3 2,-0.3 -2,-0.2 107,-0.3 -0.857 33.5 174.3 -94.7 135.8 -0.3 -15.6 6.3 5 5 A L E -A 110 0A 68 105,-2.3 105,-2.7 -2,-0.4 2,-0.3 -0.992 17.5-153.7-143.2 151.7 -0.1 -11.9 7.2 6 6 A S E -A 109 0A 85 -2,-0.3 103,-0.2 103,-0.3 101,-0.0 -0.802 9.0-175.1-117.2 157.8 -2.3 -9.3 8.9 7 7 A L E -A 108 0A 19 101,-0.7 101,-2.8 -2,-0.3 34,-0.2 -0.962 28.5-109.8-141.3 157.4 -2.4 -5.4 8.6 8 8 A P E -A 107 0A 13 0, 0.0 34,-2.3 0, 0.0 2,-0.4 -0.376 28.3-130.3 -71.9 166.4 -4.4 -2.7 10.4 9 9 A V E -Ab 106 42A 2 97,-2.7 96,-2.0 32,-0.2 97,-1.0 -0.996 28.7-175.1-124.9 124.4 -7.1 -0.8 8.4 10 10 A L - 0 0 4 32,-2.7 2,-0.4 -2,-0.4 34,-0.4 -0.759 29.9-104.8-119.5 157.5 -6.9 3.0 8.7 11 11 A Q >> - 0 0 86 92,-0.4 3,-2.4 91,-0.3 4,-2.1 -0.753 21.8-134.3 -84.5 136.5 -9.2 5.8 7.4 12 12 A V T 34 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 31,-0.0 0.738 107.7 61.6 -61.0 -18.9 -7.7 7.6 4.3 13 13 A R T 34 S+ 0 0 173 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.483 108.9 39.0 -85.4 -6.2 -8.8 10.8 6.2 14 14 A D T <4 S+ 0 0 48 -3,-2.4 2,-2.0 1,-0.1 -2,-0.2 0.684 96.5 84.5-106.5 -36.3 -6.4 10.1 9.2 15 15 A V < + 0 0 0 -4,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.523 56.9 179.4 -65.4 65.0 -3.6 8.7 7.0 16 16 A L S S+ 0 0 153 -2,-2.0 2,-0.6 1,-0.2 -1,-0.2 0.838 74.3 47.4 -34.5 -43.5 -2.0 12.1 6.2 17 17 A V + 0 0 82 81,-0.2 -1,-0.2 -3,-0.1 83,-0.1 -0.912 56.3 157.3-115.7 107.0 0.6 10.3 4.1 18 18 A R + 0 0 60 -2,-0.6 2,-0.5 34,-0.2 36,-0.2 0.342 52.4 90.7-106.1 0.3 -0.7 7.6 1.7 19 19 A G - 0 0 12 1,-0.1 3,-0.1 34,-0.1 38,-0.1 -0.875 46.8-175.0 -94.6 130.4 2.4 7.7 -0.6 20 20 A F S S- 0 0 20 -2,-0.5 2,-0.3 36,-0.4 -1,-0.1 0.548 80.8 -33.9 -82.8 -14.1 5.2 5.3 0.1 21 21 A G - 0 0 26 35,-0.2 34,-0.3 -3,-0.1 -1,-0.3 -0.935 64.8 -94.2 175.7-177.2 7.0 7.2 -2.8 22 22 A D S S+ 0 0 122 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.298 96.0 59.5-130.0 41.4 6.2 8.9 -6.2 23 23 A S S > S- 0 0 64 1,-0.1 4,-2.4 33,-0.1 5,-0.2 -0.908 82.9-117.9-147.2 162.9 6.8 6.2 -8.7 24 24 A V H > S+ 0 0 47 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.954 113.4 43.0 -54.8 -60.7 5.1 2.8 -9.1 25 25 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.795 113.9 53.8 -66.3 -29.7 8.1 0.6 -8.5 26 26 A E H >> S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.988 112.1 41.6 -60.1 -63.2 9.3 2.8 -5.6 27 27 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.871 113.1 54.9 -59.4 -39.5 6.0 2.6 -3.7 28 28 A L H 3X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.3 0.878 112.8 43.0 -57.2 -43.0 5.7 -1.1 -4.5 29 29 A S H S+ 0 0 37 -4,-3.1 4,-2.6 -3,-0.3 5,-1.2 0.837 113.7 48.1 -70.7 -29.3 6.9 -1.4 5.4 35 35 A L H <5S+ 0 0 34 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.919 109.4 51.4 -65.0 -47.0 5.2 -4.8 5.4 36 36 A K H <5S+ 0 0 168 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.798 119.1 37.1 -62.2 -34.1 8.6 -6.5 6.2 37 37 A N H <5S- 0 0 108 -4,-2.3 -1,-0.2 -5,-0.0 -2,-0.2 0.881 111.3-125.7 -75.0 -47.8 9.0 -4.0 9.1 38 38 A G T <5S+ 0 0 47 -4,-2.6 -3,-0.2 -5,-0.2 -4,-0.1 0.371 76.7 120.3 105.2 8.9 5.3 -4.2 9.9 39 39 A T < + 0 0 62 -5,-1.2 60,-1.8 -6,-0.2 2,-0.3 -0.173 49.3 102.2 -94.4 38.9 4.8 -0.3 9.7 40 40 A C E - C 0 98A 0 -6,-0.5 2,-0.3 58,-0.3 56,-0.0 -0.847 47.1-175.6-114.1 155.6 2.2 -0.6 6.9 41 41 A G E - C 0 97A 0 56,-2.5 56,-2.2 -2,-0.3 2,-0.3 -0.869 22.0-112.3-138.1 174.9 -1.6 -0.4 7.1 42 42 A L E -bC 9 96A 2 -34,-2.3 -32,-2.7 -2,-0.3 2,-0.4 -0.856 14.4-162.1-112.6 149.0 -4.5 -0.8 4.6 43 43 A V E - C 0 95A 2 52,-2.6 52,-2.6 -2,-0.3 2,-0.2 -0.994 27.3-122.9-125.4 127.8 -7.0 1.7 3.1 44 44 A E - 0 0 82 -34,-0.4 2,-0.8 -2,-0.4 50,-0.2 -0.530 24.8-117.1 -71.3 140.1 -10.2 0.3 1.6 45 45 A L + 0 0 46 -2,-0.2 2,-0.2 48,-0.1 -1,-0.1 -0.720 48.0 161.0 -80.5 108.3 -10.8 1.2 -2.1 46 46 A E > - 0 0 136 -2,-0.8 3,-1.6 1,-0.0 4,-0.5 -0.710 53.5 -91.9-123.4 173.7 -14.1 3.2 -2.2 47 47 A K T 3 S+ 0 0 212 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.847 121.4 39.5 -64.6 -35.3 -15.3 5.6 -4.9 48 48 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.108 95.1 90.5 -95.4 17.9 -13.8 8.9 -3.6 49 49 A V S X> S+ 0 0 7 -3,-1.6 3,-0.9 1,-0.1 4,-0.6 0.933 70.3 60.6 -90.6 -48.4 -10.5 7.4 -2.5 50 50 A L G >4 S+ 0 0 38 -4,-0.5 3,-1.7 1,-0.3 2,-1.4 0.877 98.5 58.3 -48.7 -51.1 -8.0 7.6 -5.4 51 51 A P G 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.118 106.9 50.0 -84.4 43.9 -8.1 11.5 -5.8 52 52 A Q G <4 S+ 0 0 91 -2,-1.4 -2,-0.2 -3,-0.9 -34,-0.2 0.291 98.5 75.7-142.3 -17.5 -6.9 11.9 -2.2 53 53 A L S << S- 0 0 12 -3,-1.7 -34,-0.1 -4,-0.6 4,-0.1 -0.029 90.5-109.1 -79.6-175.2 -3.9 9.5 -2.3 54 54 A E - 0 0 114 -36,-0.2 -1,-0.1 -33,-0.1 3,-0.1 0.805 52.7 -90.1 -82.5 -88.4 -0.7 10.5 -4.1 55 55 A Q S S+ 0 0 70 -34,-0.3 2,-2.0 1,-0.1 25,-0.2 0.379 105.0 73.1-156.4 -59.6 -0.3 8.5 -7.3 56 56 A P - 0 0 3 0, 0.0 2,-0.8 0, 0.0 -36,-0.4 -0.532 68.3-166.5 -79.3 85.6 1.4 5.1 -7.1 57 57 A Y E -D 80 0A 17 -2,-2.0 2,-1.3 23,-1.9 23,-1.0 -0.640 14.0-142.3 -78.4 104.4 -1.4 3.5 -5.3 58 58 A V E -D 79 0A 2 -2,-0.8 38,-2.8 38,-0.4 21,-0.3 -0.630 30.2-166.7 -75.2 95.3 0.1 0.2 -4.0 59 59 A F E -DE 78 95A 0 -2,-1.3 19,-2.4 19,-0.5 2,-0.4 -0.346 20.4-143.7 -79.7 165.0 -2.9 -2.1 -4.6 60 60 A I E -DE 77 94A 9 34,-1.6 33,-2.6 17,-0.2 34,-0.7 -1.000 20.3-177.7-124.8 126.1 -3.6 -5.6 -3.4 61 61 A K E -D 76 0A 23 15,-1.8 2,-2.5 -2,-0.4 15,-1.9 -0.925 41.4-100.5-125.0 152.3 -5.5 -7.9 -5.8 62 62 A R - 0 0 131 -2,-0.3 13,-0.2 13,-0.3 3,-0.2 -0.275 67.9 -86.5 -78.6 57.9 -6.6 -11.5 -5.0 63 63 A S - 0 0 6 -2,-2.5 2,-1.6 1,-0.2 3,-0.3 0.911 39.7-159.3 43.0 78.9 -3.7 -13.3 -6.9 64 64 A D S S+ 0 0 123 1,-0.2 -1,-0.2 12,-0.1 3,-0.1 -0.712 73.2 87.0 -79.5 84.1 -4.7 -13.6 -10.5 65 65 A A S S+ 0 0 50 -2,-1.6 2,-0.3 -3,-0.2 -1,-0.2 0.101 78.5 64.7-163.4 18.6 -2.2 -16.4 -11.1 66 66 A L - 0 0 103 -3,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.912 57.1-149.2-147.9 166.7 -4.2 -19.5 -10.0 67 67 A S + 0 0 130 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.697 61.0 95.7-150.7 82.0 -7.3 -21.6 -11.0 68 68 A T - 0 0 115 -2,-0.2 -2,-0.1 1,-0.0 3,-0.1 -0.932 52.7-151.5-162.4 162.8 -8.8 -23.1 -7.8 69 69 A N + 0 0 168 -2,-0.3 2,-0.9 1,-0.1 -1,-0.0 0.423 65.4 94.8-120.2 -6.7 -11.6 -22.0 -5.4 70 70 A H + 0 0 185 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.770 64.8 65.8-112.5 88.5 -10.7 -23.4 -2.0 71 71 A G S S- 0 0 64 -2,-0.9 2,-0.0 -3,-0.1 -3,-0.0 -0.979 78.1 -72.5-178.3 171.5 -8.8 -20.9 0.3 72 72 A H S S- 0 0 123 -2,-0.3 2,-1.4 1,-0.1 39,-0.1 -0.188 73.0 -73.4 -62.5 170.1 -8.7 -17.7 2.3 73 73 A K - 0 0 155 36,-0.1 38,-0.4 37,-0.0 2,-0.2 -0.652 60.5-170.7 -72.1 93.3 -8.6 -14.4 0.5 74 74 A V - 0 0 28 -2,-1.4 2,-0.3 36,-0.2 38,-0.1 -0.606 7.0-178.9 -71.1 149.2 -5.0 -14.5 -0.8 75 75 A V - 0 0 8 36,-1.2 38,-0.5 -2,-0.2 2,-0.3 -0.909 15.9-144.2-140.9 173.9 -3.8 -11.3 -2.3 76 76 A E E -D 61 0A 32 -15,-1.9 -15,-1.8 -2,-0.3 2,-0.3 -0.977 26.8-103.9-141.5 152.1 -0.5 -9.9 -3.9 77 77 A L E +D 60 0A 30 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.624 49.3 154.6 -79.5 126.3 1.3 -6.5 -3.9 78 78 A V E -D 59 0A 21 -19,-2.4 -19,-0.5 -2,-0.3 2,-0.3 -0.846 22.6-154.3-146.0 166.6 0.9 -4.4 -7.1 79 79 A A E -D 58 0A 9 -21,-0.3 2,-0.3 -2,-0.2 -21,-0.2 -0.978 8.8-177.7-154.5 146.3 1.0 -0.6 -8.0 80 80 A E E -D 57 0A 37 -23,-1.0 -23,-1.9 -2,-0.3 -57,-0.0 -0.977 21.3-144.7-142.3 149.1 -0.4 1.8 -10.6 81 81 A M S S+ 0 0 89 -2,-0.3 -24,-0.2 -25,-0.2 -1,-0.2 0.973 102.4 15.1 -78.5 -72.2 0.0 5.6 -11.3 82 82 A D S S- 0 0 106 -26,-0.1 -1,-0.1 1,-0.0 -32,-0.0 0.586 105.5-114.2 -78.3 -5.7 -3.5 6.7 -12.5 83 83 A G > + 0 0 3 -28,-0.1 5,-1.0 4,-0.1 -33,-0.0 0.782 58.8 163.2 64.9 30.1 -5.0 3.4 -11.2 84 84 A I T 5 + 0 0 111 3,-0.1 2,-0.2 2,-0.1 -4,-0.0 0.863 66.7 14.8 -33.7 -56.8 -5.6 2.7 -15.0 85 85 A Q T 5S+ 0 0 109 2,-0.0 2,-2.3 4,-0.0 3,-0.4 -0.647 124.4 18.3-114.5 175.0 -6.1 -1.0 -14.0 86 86 A Y T 5S+ 0 0 64 2,-0.3 5,-0.2 1,-0.3 3,-0.2 -0.349 114.7 59.7 65.4 -70.7 -6.6 -2.9 -10.8 87 87 A G T 5S+ 0 0 12 -2,-2.3 2,-1.7 1,-0.3 -1,-0.3 0.947 105.2 54.0 -51.9 -51.1 -7.8 -0.0 -8.5 88 88 A R S