==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 19-NOV-09 2KQW . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.A.JOHNSON,A.CHATTERJEE,K.WUTHRICH,JOINT CENTER FOR STRUCTU . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 29.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 6.0 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 . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 23.9 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 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 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 1 132 A T > 0 0 147 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.5 -13.3 4.3 2.9 2 133 A S H > + 0 0 63 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.738 360.0 58.8 -59.7 -23.4 -12.5 1.2 0.8 3 134 A E H > S+ 0 0 69 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.970 108.6 40.8 -62.4 -60.7 -8.9 2.5 0.7 4 135 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.897 115.4 53.0 -62.3 -40.4 -8.5 2.5 4.5 5 136 A H H X S+ 0 0 117 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.874 108.2 50.3 -60.8 -43.4 -10.4 -0.8 4.8 6 137 A F H X S+ 0 0 15 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.931 108.2 52.2 -64.7 -44.7 -8.0 -2.4 2.2 7 138 A V H >X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 3,-0.8 0.934 110.0 50.0 -53.1 -46.0 -4.9 -1.2 4.2 8 139 A E H 3X S+ 0 0 100 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.835 101.7 61.5 -65.2 -35.4 -6.4 -2.8 7.3 9 140 A T H 3X S+ 0 0 67 -4,-1.7 4,-1.1 1,-0.2 -1,-0.3 0.854 114.6 34.2 -62.2 -34.6 -7.0 -6.1 5.5 10 141 A V H -A 19 0A 74 3,-2.7 3,-0.8 -2,-0.3 51,-0.1 -0.733 63.9 -58.0-127.7-176.3 -0.6 -9.9 0.1 17 148 A R T 3 S- 0 0 176 1,-0.3 50,-0.1 -2,-0.2 3,-0.0 0.640 128.4 -14.1 -44.4 -44.9 -0.3 -12.5 -2.7 18 149 A D T 3 S+ 0 0 103 48,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.078 118.9 100.1-139.1 13.3 3.5 -12.1 -3.3 19 150 A W E < -A 16 0A 12 -3,-0.8 -3,-2.7 47,-0.1 2,-0.3 -0.920 59.8-143.2-112.7 133.1 4.0 -8.8 -1.4 20 151 A S E -AB 15 34A 68 14,-2.2 14,-2.4 -2,-0.4 2,-0.3 -0.636 8.1-139.5 -84.8 146.5 5.4 -8.5 2.2 21 152 A Y + 0 0 62 -7,-2.1 12,-0.1 -2,-0.3 11,-0.1 -0.706 26.0 167.5 -85.6 157.0 4.2 -6.0 4.8 22 153 A S - 0 0 63 10,-0.4 3,-0.2 -2,-0.3 -1,-0.1 0.471 34.2-140.4-131.5 -39.0 7.0 -4.4 6.9 23 154 A G + 0 0 30 8,-0.4 2,-1.0 9,-0.3 9,-0.1 0.937 31.2 177.4 57.1 45.8 5.3 -1.4 8.7 24 155 A Q - 0 0 106 7,-0.1 7,-2.5 8,-0.0 2,-1.0 -0.791 21.4-149.5 -73.9 101.1 8.5 0.5 8.0 25 156 A R E -C 30 0A 189 -2,-1.0 5,-0.3 5,-0.2 2,-0.2 -0.751 27.1-178.6 -76.5 99.3 7.3 3.8 9.6 26 157 A T E > -C 29 0A 37 -2,-1.0 3,-0.8 3,-0.7 -3,-0.0 -0.490 46.0 -96.1 -96.8 172.5 9.3 6.2 7.3 27 158 A E T 3 S+ 0 0 197 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.796 126.5 55.5 -59.4 -24.9 9.5 10.0 7.4 28 159 A L T 3 S- 0 0 111 1,-0.1 -1,-0.2 15,-0.0 16,-0.2 0.821 128.5 -89.7 -69.3 -37.3 6.8 9.9 4.6 29 160 A G E < S-C 26 0A 3 -3,-0.8 -3,-0.7 14,-0.1 2,-0.3 -0.716 76.3 -32.3 152.8-105.0 4.4 7.8 6.6 30 161 A V E -CD 25 42A 8 12,-1.7 12,-2.5 -5,-0.3 -5,-0.2 -0.994 50.3-111.2-156.9 140.1 4.7 4.0 6.3 31 162 A E E - D 0 41A 10 -7,-2.5 -8,-0.4 -2,-0.3 10,-0.3 -0.474 33.4-176.1 -60.0 145.6 5.7 1.3 3.7 32 163 A F E + 0 0 0 8,-2.8 2,-0.4 1,-0.3 -10,-0.4 0.736 56.7 2.6-112.7 -84.7 2.7 -0.7 2.6 33 164 A L E - 0 0 0 -12,-0.1 7,-2.8 8,-0.1 2,-0.4 -0.950 62.6-164.1-112.6 136.2 3.3 -3.7 0.2 34 165 A K E +BD 20 39A 58 -14,-2.4 -14,-2.2 -2,-0.4 2,-0.3 -0.959 19.6 152.7-121.5 127.0 6.8 -4.7 -1.0 35 166 A R E > - D 0 38A 102 3,-2.8 3,-1.7 -2,-0.4 2,-0.1 -0.810 63.8 -41.5-154.8 119.1 7.6 -7.0 -3.9 36 167 A G T 3 S- 0 0 76 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 -0.452 121.7 -21.8 66.2-140.3 10.8 -6.9 -6.0 37 168 A D T 3 S+ 0 0 158 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.322 122.0 93.6 -79.7 3.2 12.0 -3.3 -6.8 38 169 A K E < +D 35 0A 77 -3,-1.7 -3,-2.8 14,-0.0 2,-0.4 -0.885 49.0 178.9-112.9 135.3 8.4 -2.0 -6.2 39 170 A I E -D 34 0A 41 -2,-0.4 14,-0.6 -5,-0.2 -5,-0.2 -0.950 14.0-154.9-142.0 109.0 7.1 -0.7 -2.9 40 171 A V E -E 52 0B 1 -7,-2.8 -8,-2.8 -2,-0.4 2,-0.2 -0.541 17.5-160.7 -71.4 149.4 3.6 0.7 -2.3 41 172 A Y E -D 31 0A 58 10,-1.5 2,-0.3 -10,-0.3 10,-0.3 -0.771 7.8-152.1-123.1 167.8 3.3 3.2 0.6 42 173 A H E -D 30 0A 20 -12,-2.5 -12,-1.7 -2,-0.2 8,-0.2 -0.978 14.4-135.2-138.5 145.2 0.4 4.5 2.7 43 174 A T - 0 0 24 6,-0.7 -14,-0.1 -2,-0.3 3,-0.1 -0.096 11.2-132.2 -86.1-174.8 -0.0 7.9 4.5 44 175 A L S S+ 0 0 111 1,-0.4 2,-0.3 -16,-0.2 4,-0.1 0.558 94.7 39.5-113.6 -24.5 -1.2 8.7 8.1 45 176 A E S S+ 0 0 177 1,-0.1 -1,-0.4 4,-0.0 4,-0.1 -0.971 93.6 62.4-128.7 140.4 -3.7 11.5 7.1 46 177 A S S S- 0 0 69 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 -0.241 120.3-102.0 150.5 -44.3 -5.9 11.2 3.9 47 178 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.872 86.3 -20.0 -65.0 -40.4 -6.6 9.0 5.9 48 179 A V + 0 0 15 -2,-0.1 2,-0.3 -4,-0.1 -44,-0.1 -0.985 61.9 179.7-131.3 149.5 -4.5 6.9 3.5 49 180 A E - 0 0 92 -2,-0.3 -6,-0.7 -4,-0.1 2,-0.5 -0.855 27.2-120.9-133.8 169.5 -3.4 7.4 -0.2 50 181 A F E + F 0 57B 6 7,-0.8 7,-2.7 -2,-0.3 2,-0.3 -0.942 28.1 177.2-127.7 106.8 -1.2 5.1 -2.3 51 182 A H E - F 0 56B 62 -2,-0.5 -10,-1.5 -10,-0.3 2,-0.3 -0.752 7.2-174.0-100.4 154.5 2.0 6.2 -3.9 52 183 A L E > S-EF 40 55B 32 3,-2.0 3,-2.2 -2,-0.3 -12,-0.1 -0.890 78.8 -24.5-144.6 117.6 4.4 4.0 -6.0 53 184 A D T 3 S- 0 0 131 -14,-0.6 3,-0.1 -2,-0.3 -13,-0.1 0.337 127.5 -51.5 62.6 -1.1 7.7 5.6 -7.0 54 185 A G T 3 S+ 0 0 60 1,-0.5 2,-0.5 0, 0.0 -1,-0.3 0.036 113.1 116.2 120.7 -18.1 6.1 9.1 -6.7 55 186 A E E < -F 52 0B 147 -3,-2.2 -3,-2.0 1,-0.0 -1,-0.5 -0.695 57.0-148.2 -81.8 124.4 3.0 8.3 -8.9 56 187 A V E +F 51 0B 74 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.824 25.3 173.4 -99.9 135.6 -0.1 8.6 -6.6 57 188 A L E -F 50 0B 55 -7,-2.7 -7,-0.8 -2,-0.4 2,-0.1 -0.896 28.0 -99.0-146.1 165.1 -3.0 6.3 -7.6 58 189 A S >> - 0 0 74 -2,-0.3 4,-2.5 -9,-0.1 3,-0.5 -0.437 36.5-106.3 -91.6 162.5 -6.4 5.0 -6.6 59 190 A L H 3> S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.823 115.8 59.8 -52.5 -42.5 -7.4 1.7 -4.9 60 191 A D H 3> S+ 0 0 136 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.897 111.8 38.3 -56.4 -48.9 -8.8 0.3 -8.1 61 192 A K H X> S+ 0 0 114 -3,-0.5 4,-2.0 2,-0.2 3,-0.9 0.880 112.0 58.4 -70.1 -40.7 -5.5 0.5 -9.9 62 193 A L H 3X S+ 0 0 4 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.937 102.6 54.1 -58.5 -45.9 -3.6 -0.5 -6.7 63 194 A K H 3X S+ 0 0 94 -4,-2.8 4,-0.6 1,-0.2 -1,-0.3 0.773 108.1 52.8 -57.8 -27.0 -5.6 -3.8 -6.6 64 195 A S H X< S+ 0 0 85 -3,-0.9 3,-1.2 -4,-0.6 -2,-0.2 0.956 108.1 46.0 -72.1 -55.3 -4.4 -4.4 -10.2 65 196 A L H 3< S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.686 115.5 49.8 -65.6 -18.8 -0.6 -4.0 -9.7 66 197 A L H 3< 0 0 0 -4,-1.4 -48,-0.3 -5,-0.2 -1,-0.3 0.587 360.0 360.0 -92.0 -20.9 -0.9 -6.2 -6.6 67 198 A S << 0 0 76 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.823 360.0 360.0 -68.4 360.0 -2.8 -9.1 -8.2