Protein Data Bank File : 1qexa Title : VIRUS/VIRAL PROTEIN 30-MAR-99 1QEX Number of Amino Acid Residues : 288 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 MET PHE ILE GLN GLU PRO LYS LYS LEU ILE 10 ASP THR GLY GLU ILE GLY ASN ALA SER THR 20 GLY ASP ILE LEU PHE ASP GLY GLY ASN LYS 30 ILE ASN SER ASP PHE ASN ALA ILE TYR ASN 40 ALA PHE GLY ASP GLN ARG LYS MET ALA VAL 50 ALA ASN GLY THR GLY ALA ASP GLY GLN ILE 60 ILE HIS ALA THR GLY TYR TYR GLN LYS HIS 70 SER ILE THR GLU TYR ALA THR PRO VAL LYS 80 VAL GLY THR ARG HIS ASP ILE ASP THR SER 90 THR VAL GLY VAL LYS VAL ILE ILE GLU ARG 100 GLY GLU LEU GLY ASP CYS VAL GLU PHE ILE 110 ASN SER ASN GLY SER ILE SER VAL THR ASN 120 PRO LEU THR ILE GLN ALA ILE ASP SER ILE 130 LYS GLY VAL SER GLY ASN LEU VAL VAL THR 140 SER PRO TYR SER LYS VAL THR LEU ARG CYS 150 ILE SER SER ASP ASN SER THR SER VAL TRP 160 ASN TYR SER ILE GLU SER MET PHE GLY GLN 170 LYS GLU SER PRO ALA GLU GLY THR TRP ASN 180 ILE SER THR SER GLY SER VAL ASP ILE PRO 190 LEU PHE HIS ARG THR GLU TYR ASN MET ALA 200 LYS LEU LEU VAL THR CYS GLN SER VAL ASP 210 GLY ARG LYS ILE LYS THR ALA GLU ILE ASN 220 ILE LEU VAL ASP THR VAL ASN SER GLU VAL 230 ILE SER SER GLU TYR ALA VAL MET ARG VAL 240 GLY ASN GLU THR GLU GLU ASP GLU ILE ALA 250 ASN ILE ALA PHE SER ILE LYS GLU ASN TYR 260 VAL THR ALA THR ILE SER SER SER THR VAL 270 GLY MET ARG ALA ALA VAL LYS VAL ILE ALA 280 THR GLN LYS ILE GLY VAL ALA GLN Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 MET 0.0 171.1 178.9 -52.3 174.9 -81.2 2 PHE -105.7 114.7 178.7 168.4 74.9 3 ILE -104.0 103.0 -178.7 -62.7 173.5 4 GLN -59.5 161.8 177.3 67.9 -174.9 -62.6 5 GLU -108.8 145.9 -180.0 -69.6 -159.3 -64.0 6 PRO -50.9 166.5 -179.9 -33.2 45.4 7 LYS -55.1 135.7 177.8 -179.2 -173.4 62.3 176.4 8 LYS -121.5 137.4 179.5 -58.5 -178.1 -170.5 -54.0 9 LEU -120.0 151.4 -179.6 -67.8 176.9 10 ILE -74.8 121.9 -179.4 -63.8 179.0 11 ASP -76.5 78.1 179.4 -177.6 -0.2 12 THR -62.8 -11.4 180.0 61.7 13 GLY -61.7 -4.7 179.4 14 GLU -114.4 -128.6 179.4 -77.2 -174.9 -8.4 15 ILE 77.9 -74.5 -178.7 -60.2 175.5 16 GLY -82.5 44.4 179.3 17 ASN -122.6 93.9 -179.6 67.1 151.0 18 ALA 60.6 48.3 -179.8 19 SER -121.1 -166.5 179.5 69.5 20 THR -42.4 -31.1 179.8 -68.4 21 GLY -72.4 -49.7 -179.3 22 ASP -71.6 -38.3 -179.0 -61.7 58.2 23 ILE -71.8 -23.3 179.6 70.3 81.5 24 LEU -84.2 -29.3 179.6 -68.3 179.2 25 PHE -82.7 -37.1 179.3 -178.9 87.1 26 ASP -80.2 -21.0 179.2 -68.7 -7.2 27 GLY -87.7 -49.4 179.5 28 GLY -53.1 -61.4 179.6 29 ASN -48.3 -34.9 179.4 -72.8 62.3 30 LYS -67.9 -41.1 179.8 -77.5 -167.8 -179.3 -173.1 31 ILE -71.0 -30.4 179.7 -73.1 179.3 32 ASN -80.1 -22.2 179.8 -66.5 59.6 33 SER -76.2 -47.9 179.7 -171.7 34 ASP -62.3 -56.8 -180.0 -68.6 -6.2 35 PHE -52.5 -45.6 179.4 -80.0 -42.8 36 ASN -56.1 -36.8 179.7 -87.1 46.7 37 ALA -67.4 -37.3 -179.8 38 ILE -75.7 -46.8 -179.9 -62.3 178.0 39 TYR -66.1 -30.1 -179.8 -83.7 76.2 40 ASN -82.6 -12.2 178.5 -77.8 75.7 41 ALA -89.9 -26.2 -179.5 42 PHE -122.3 19.5 -179.5 -56.7 -57.9 43 GLY -148.7 168.0 -179.5 44 ASP -65.8 115.7 -179.5 -165.3 -27.8 45 GLN -72.5 -24.4 -179.5 -72.5 -179.7 20.1 46 ARG -58.4 -21.2 -179.3 -65.5 170.6 -60.9 -179.8 47 LYS -74.9 -14.5 180.0 -64.4 178.1 173.1 -171.6 48 MET -60.5 -16.2 -179.7 -71.1 -57.8 -90.8 49 ALA -77.3 -5.2 -179.8 50 VAL -100.2 -124.8 179.9 -177.0 51 ALA -81.1 43.4 -179.5 52 ASN 61.7 39.3 179.8 -54.8 -66.3 53 GLY 78.4 23.3 179.5 54 THR -118.6 -176.4 -179.9 61.6 55 GLY 99.2 -172.3 -179.9 56 ALA -65.4 -48.4 179.8 57 ASP -94.4 36.3 -179.7 -163.1 -61.6 58 GLY -75.9 -169.0 179.9 59 GLN -81.0 145.8 179.0 -74.2 177.2 166.8 60 ILE -134.5 160.9 179.5 68.1 173.1 61 ILE -88.6 112.4 179.2 -55.5 -62.7 62 HIS -84.7 118.3 179.9 -65.3 64.7 63 ALA -61.0 -33.2 179.9 64 THR -76.5 -6.4 -178.0 63.2 65 GLY 83.6 -179.8 -179.2 66 TYR -144.0 153.1 179.4 -159.1 84.5 67 TYR -119.9 105.7 -178.1 -70.6 75.3 68 GLN -58.1 144.0 179.1 -54.8 -48.0 -37.8 69 LYS -110.0 100.7 -179.3 -51.9 177.3 179.6 62.6 70 HIS -102.8 173.5 -179.6 -57.3 -50.0 71 SER -103.2 164.4 180.0 67.1 72 ILE -52.3 -52.3 -179.7 -61.9 171.1 73 THR -55.9 -41.2 -179.8 50.5 74 GLU -63.2 -36.0 179.5 -55.3 -173.3 72.2 75 TYR -79.1 7.5 179.6 -77.6 -51.9 76 ALA -72.0 -21.5 179.6 77 THR -116.2 139.0 -179.9 138.3 78 PRO -39.6 135.8 179.9 -35.6 45.1 79 VAL -87.3 151.3 -180.0 166.6 80 LYS -78.6 146.9 179.1 -82.5 -71.5 -176.7 -58.2 81 VAL -65.7 147.8 179.9 -62.6 82 GLY 91.6 -4.2 -179.5 83 THR -85.0 160.9 -180.0 62.4 84 ARG -125.0 137.4 -177.6 -83.7 179.6 168.3 178.2 85 HIS -130.0 136.7 176.6 -47.9 -81.9 86 ASP -108.7 101.9 -177.4 -164.3 -31.5 87 ILE -74.4 145.0 178.5 -60.1 -57.2 88 ASP -134.2 107.3 179.8 172.1 9.8 89 THR -117.4 26.8 -179.1 68.7 90 SER -60.7 -39.6 -179.6 49.2 91 THR -88.3 -29.1 -179.6 55.5 92 VAL -173.7 157.5 179.2 60.6 93 GLY -63.3 152.2 179.7 94 VAL -122.6 138.8 -179.2 -62.9 95 LYS -105.9 123.9 179.7 -155.5 -72.5 -169.1 60.1 96 VAL -117.5 134.6 -179.2 -179.8 97 ILE -116.5 136.2 -179.4 -48.1 173.9 98 ILE -109.3 131.3 -180.0 -57.9 175.6 99 GLU -61.5 156.0 179.3 84.8 -170.0 -43.6 100 ARG -51.9 133.2 -179.3 178.5 169.6 -47.1 -160.8 101 GLY -109.6 -178.8 178.5 102 GLU -127.2 157.1 -179.6 -60.8 177.6 59.9 103 LEU -38.5 123.6 178.5 -171.7 65.4 104 GLY 94.2 -22.1 179.8 105 ASP -52.2 146.1 -177.4 -76.4 -23.4 106 CYS -142.7 144.0 178.3 174.3 107 VAL -137.0 130.0 -178.8 173.6 108 GLU -122.5 144.0 -179.9 -53.1 168.2 -51.2 109 PHE -126.6 151.3 175.3 -50.1 73.1 110 ILE -139.3 170.1 -178.6 60.8 170.9 111 ASN -140.7 73.5 -178.5 -178.3 41.2 112 SER -56.1 -38.9 180.0 -62.9 113 ASN -89.7 5.0 178.3 66.9 13.9 114 GLY 54.7 30.5 180.0 115 SER -75.1 -19.7 -179.3 50.0 116 ILE -59.6 129.3 179.9 -70.1 -179.9 117 SER -155.2 -176.8 179.8 66.5 118 VAL -74.2 -24.4 179.4 -63.0 119 THR -89.7 -33.0 178.9 67.1 120 ASN -121.0 66.3 -179.4 -63.7 56.2 121 PRO -76.1 171.5 177.3 38.2 -45.2 122 LEU -109.1 110.6 179.4 -163.3 -154.0 123 THR -100.3 125.7 -179.9 -55.7 124 ILE -118.0 130.1 178.4 -60.9 167.5 125 GLN -120.8 114.8 179.2 179.4 -168.6 -47.9 126 ALA -99.3 115.7 -178.0 127 ILE -37.4 116.4 -177.9 -73.7 -53.9 128 ASP 97.9 -83.9 -179.7 -77.3 -31.6 129 SER -170.0 170.2 179.4 62.1 130 ILE -122.5 126.3 -179.3 -59.6 170.4 131 LYS -57.8 142.7 179.2 -176.1 172.9 -178.9 -66.5 132 GLY 68.7 7.3 -179.8 133 VAL -130.7 129.5 178.5 176.9 134 SER -98.5 101.6 -179.0 61.4 135 GLY 100.2 -139.7 -179.9 136 ASN -83.3 154.1 177.2 -55.1 -49.6 137 LEU -87.8 124.0 -179.7 167.9 59.2 138 VAL -107.4 109.1 -178.9 -173.9 139 VAL -96.8 124.4 -178.6 178.4 140 THR -124.0 2.5 -179.5 62.4 141 SER -82.7 113.0 -180.0 178.2 142 PRO -65.4 147.7 179.4 29.2 -41.1 143 TYR 57.7 42.5 -179.0 -68.2 -64.0 144 SER -104.2 170.8 178.2 53.1 145 LYS -128.5 119.9 -178.9 -179.7 -176.0 176.4 -177.3 146 VAL -114.7 129.9 180.0 -175.8 147 THR -120.9 125.2 178.2 -58.7 148 LEU -113.8 133.0 -178.6 -84.3 96.2 149 ARG -134.8 137.0 179.6 176.6 91.9 55.5 -173.5 150 CYS -80.3 117.9 -179.3 -176.4 151 ILE -103.4 9.0 -179.3 60.0 171.9 152 SER -176.9 129.2 -180.0 175.2 153 SER -129.8 -69.6 -179.0 54.3 154 ASP 48.6 -113.8 -179.8 -71.7 -2.1 155 ASN -94.3 -93.9 179.9 -172.2 -68.7 156 SER -95.1 -22.0 -179.3 67.4 157 THR -60.1 59.8 179.7 -46.2 158 SER -97.6 86.6 -179.1 -171.4 159 VAL -104.6 146.4 179.1 -178.3 160 TRP -122.8 160.3 175.8 -55.6 69.2 161 ASN -134.3 165.8 -177.6 -157.9 -32.7 162 TYR -144.7 168.8 177.2 68.7 -72.3 163 SER -137.3 148.7 178.1 72.1 164 ILE -138.7 132.4 -178.5 175.4 179.5 165 GLU -147.7 162.1 -179.9 43.4 -170.2 -6.7 166 SER -76.6 138.6 179.2 -61.2 167 MET -71.2 -36.0 -177.5 -65.2 171.2 68.0 168 PHE -117.8 171.4 179.4 -46.5 -63.4 169 GLY 121.4 158.9 178.1 170 GLN -92.6 108.0 -177.6 -74.5 -176.1 -88.5 171 LYS -115.8 -5.1 -177.7 -44.3 163.8 -176.4 176.8 172 GLU -59.7 156.8 177.6 1.6 69.3 74.9 173 SER -115.4 118.1 -179.7 168.6 174 PRO -71.6 -7.4 -179.6 29.8 -42.3 175 ALA -170.3 137.9 179.9 176 GLU -164.9 122.2 179.6 -173.1 -176.4 -36.5 177 GLY 171.7 -169.3 179.6 178 THR -129.1 134.1 -179.0 -56.2 179 TRP -127.3 151.2 178.0 -71.6 -94.8 180 ASN -89.6 142.9 176.6 -66.8 -47.1 181 ILE -87.5 107.7 -178.8 -68.7 -176.0 182 SER -48.6 158.4 -179.9 71.7 183 THR -52.8 -29.5 179.3 68.8 184 SER -62.4 -13.9 179.1 64.9 185 GLY 86.2 20.6 179.8 186 SER -156.4 145.6 179.0 177.7 187 VAL -142.8 137.8 178.8 67.9 188 ASP -102.6 131.4 179.5 -84.6 -10.7 189 ILE -124.5 105.6 179.8 -57.4 167.1 190 PRO -70.1 128.9 -178.5 27.8 -41.3 191 LEU -93.1 -52.7 179.7 -54.8 178.3 192 PHE -168.0 161.9 179.7 50.5 84.0 193 HIS -63.0 145.6 -178.6 -174.0 -79.9 194 ARG -54.3 -22.7 -178.6 61.9 148.1 86.4 -148.6 195 THR -93.1 -6.5 -177.0 59.6 196 GLU -74.8 -36.4 -178.8 -59.9 -169.5 75.6 197 TYR -146.4 153.5 178.6 -51.9 -70.5 198 ASN -90.9 -31.3 179.6 -59.6 89.3 199 MET -148.1 151.2 178.6 92.5 82.7 -114.9 200 ALA -142.2 161.3 179.0 201 LYS -127.8 133.2 179.0 167.3 -175.4 -77.7 -61.8 202 LEU -138.3 162.4 178.5 37.4 167.4 203 LEU -118.1 133.2 179.7 -63.6 178.2 204 VAL -131.1 125.4 -179.9 -179.8 205 THR -131.1 115.4 -179.7 -64.9 206 CYS -107.8 133.0 -178.3 -59.9 207 GLN -142.5 139.0 179.4 -173.3 -165.1 -135.4 208 SER -73.6 150.2 -179.7 58.9 209 VAL -52.0 -25.0 -179.9 -67.7 210 ASP -90.4 -27.0 178.8 54.0 58.5 211 GLY 94.0 8.8 -179.7 212 ARG -87.7 -24.2 179.1 63.8 -157.7 175.0 68.6 213 LYS -116.2 126.1 179.6 -87.0 179.0 172.5 -78.0 214 ILE -154.1 139.3 178.7 179.5 170.1 215 LYS -140.3 143.1 177.1 169.4 -162.9 171.4 171.6 216 THR -134.6 149.4 179.6 64.9 217 ALA -155.7 154.7 177.9 218 GLU -113.0 131.4 -178.9 174.8 158.7 24.8 219 ILE -132.1 130.0 176.6 -44.4 80.2 220 ASN -103.0 133.1 179.8 -80.2 8.9 221 ILE -125.9 145.0 179.9 61.6 -175.3 222 LEU -116.7 128.2 -179.6 169.6 61.6 223 VAL -86.6 116.6 178.6 -179.4 224 ASP -98.7 88.1 -178.7 -179.5 -20.7 225 THR -63.8 -36.5 -179.1 63.4 226 VAL -60.6 -42.3 -180.0 176.9 227 ASN -100.6 7.3 -179.2 -57.3 -179.7 228 SER 52.2 44.6 179.4 -70.8 229 GLU -131.8 179.3 178.8 -51.9 -170.1 -54.1 230 VAL -143.0 119.7 178.1 54.3 231 ILE -85.2 146.3 179.8 -58.9 83.3 232 SER -137.0 152.4 178.9 60.4 233 SER -134.5 101.4 -179.3 -178.7 234 GLU -94.7 127.4 -179.5 -175.3 177.3 -46.6 235 TYR -147.4 -179.2 -179.4 56.5 -81.9 236 ALA 52.3 38.8 179.7 237 VAL -71.7 133.3 177.4 170.8 238 MET -135.9 132.4 -179.1 -71.8 173.6 -74.6 239 ARG -129.3 152.9 179.7 -37.6 -169.4 -68.5 -65.7 240 VAL -116.3 -66.6 -179.3 156.1 241 GLY -91.9 46.0 -179.3 242 ASN -82.5 107.3 -179.5 50.2 112.6 243 GLU -55.9 -17.1 179.5 -66.0 173.5 49.6 244 THR -152.6 152.9 -179.9 -51.9 245 GLU -83.1 17.3 179.3 -68.6 55.4 48.5 246 GLU -100.4 -164.2 179.0 -46.0 -52.5 -45.9 247 ASP -42.5 133.6 -177.0 -165.0 52.5 248 GLU -162.6 145.9 177.7 -162.1 62.9 55.1 249 ILE 68.8 -50.7 179.8 -54.3 -179.6 250 ALA -168.4 139.3 179.4 251 ASN -109.5 143.2 -178.8 -74.9 75.1 252 ILE -124.4 120.7 -179.7 -52.2 138.9 253 ALA -125.6 162.2 -178.9 254 PHE -134.3 155.0 178.4 -65.6 85.8 255 SER -175.9 179.5 177.1 68.5 256 ILE -107.6 125.2 179.5 -64.5 -171.5 257 LYS -131.2 125.9 -179.7 -60.8 -172.9 179.0 -167.7 258 GLU 57.1 34.9 179.9 -46.6 -168.1 67.3 259 ASN 68.0 16.6 178.3 -72.0 -50.6 260 TYR -117.7 128.5 177.2 -89.2 76.1 261 VAL -59.4 128.3 -175.9 171.3 262 THR -132.3 144.6 178.4 -57.1 263 ALA -105.3 129.5 178.8 264 THR -111.6 114.5 -178.8 -65.2 265 ILE -107.3 122.4 179.6 -49.8 -60.4 266 SER -130.2 155.1 -179.7 59.5 267 SER -159.5 145.6 178.9 173.0 268 SER -76.9 -35.3 -179.9 -68.9 269 THR -65.5 119.6 -179.8 -56.8 270 VAL -72.8 141.4 179.9 -58.6 271 GLY 78.6 45.0 -179.7 272 MET -102.1 140.6 177.6 -75.1 -72.6 -75.0 273 ARG -109.8 150.8 -179.4 -99.3 -161.4 -104.5 63.7 274 ALA -138.5 114.1 178.2 275 ALA -91.4 129.4 -179.8 276 VAL -127.5 137.5 -178.3 177.5 277 LYS -149.2 125.0 178.6 -177.9 174.9 -173.7 168.8 278 VAL -91.1 116.9 -178.2 176.1 279 ILE -103.4 -3.8 177.5 59.3 179.5 280 ALA -161.9 151.7 178.0 281 THR -148.2 159.8 177.2 67.3 282 GLN -142.2 130.1 179.7 -177.2 151.5 59.6 283 LYS -128.1 121.5 179.0 -177.4 -177.9 -173.1 178.3 284 ILE -66.3 121.9 -179.9 -72.2 165.5 285 GLY -107.7 -150.4 179.0 286 VAL -97.9 132.3 -179.8 -176.7 287 ALA -56.7 141.0 -179.3 288 GLN 64.5 115.7 0.0 -66.3 179.2 -64.8 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 MET 6.923 -17.546 130.370 2 PHE 6.750 -14.675 127.886 3 ILE 9.946 -12.639 127.689 4 GLN 9.089 -9.453 125.834 5 GLU 11.433 -7.772 123.386 6 PRO 12.259 -4.077 123.877 7 LYS 10.191 -1.348 122.209 8 LYS 10.099 -1.288 118.405 9 LEU 9.046 1.766 116.396 10 ILE 7.885 2.118 112.786 11 ASP 10.647 3.516 110.570 12 THR 8.621 6.153 108.710 13 GLY 12.054 7.215 107.509 14 GLU 11.363 4.803 104.663 15 ILE 8.104 4.045 102.860 16 GLY 8.668 6.200 99.785 17 ASN 11.824 4.451 98.568 18 ALA 11.253 2.446 95.356 19 SER 7.732 1.484 96.439 20 THR 4.160 1.750 95.159 21 GLY 4.890 5.443 94.788 22 ASP 8.020 5.101 92.667 23 ILE 6.893 2.114 90.562 24 LEU 3.658 3.838 89.558 25 PHE 5.411 7.045 88.532 26 ASP 8.256 5.266 86.756 27 GLY 5.716 2.861 85.310 28 GLY 3.039 5.359 84.366 29 ASN 5.382 7.699 82.522 30 LYS 6.624 4.578 80.727 31 ILE 3.108 3.606 79.689 32 ASN 2.368 7.165 78.572 33 SER 5.598 7.300 76.569 34 ASP 4.916 4.125 74.588 35 PHE 1.262 4.809 73.839 36 ASN 2.165 8.337 72.768 37 ALA 4.662 6.777 70.382 38 ILE 1.944 4.514 68.972 39 TYR -0.846 7.090 68.726 40 ASN 1.431 9.635 67.046 41 ALA 2.543 7.078 64.476 42 PHE -1.074 6.249 63.616 43 GLY -2.810 9.496 64.539 44 ASP -2.840 13.253 63.983 45 GLN 0.201 14.671 65.777 46 ARG -1.176 18.217 65.623 47 LYS -3.498 17.286 68.501 48 MET -0.588 17.002 70.936 49 ALA -0.986 20.758 71.427 50 VAL -4.201 20.164 73.375 51 ALA -4.692 17.764 76.308 52 ASN -1.612 15.908 75.086 53 GLY -3.698 14.191 72.422 54 THR -6.595 13.378 74.751 55 GLY -10.170 14.543 75.186 56 ALA -13.204 14.204 72.931 57 ASP -11.349 15.390 69.838 58 GLY -8.250 13.552 71.006 59 GLN -5.968 11.202 69.086 60 ILE -7.203 7.879 67.716 61 ILE -5.555 4.889 66.021 62 HIS -6.194 4.985 62.261 63 ALA -6.313 1.468 60.832 64 THR -5.469 3.065 57.494 65 GLY -2.480 4.605 59.202 66 TYR -1.868 8.350 59.121 67 TYR 0.227 10.908 57.240 68 GLN 1.426 13.796 59.440 69 LYS 0.979 17.419 58.371 70 HIS 4.058 19.396 59.436 71 SER 5.249 22.976 58.941 72 ILE 8.138 24.430 56.946 73 THR 10.159 25.201 60.056 74 GLU 9.696 21.645 61.348 75 TYR 11.062 20.247 58.080 76 ALA 14.136 22.421 58.631 77 THR 15.666 19.436 60.419 78 PRO 16.119 15.888 58.993 79 VAL 13.097 13.615 59.390 80 LYS 13.224 10.237 61.160 81 VAL 12.930 6.985 59.212 82 GLY 9.527 5.312 59.310 83 THR 7.551 8.575 59.257 84 ARG 4.655 9.547 56.979 85 HIS 3.978 12.975 55.500 86 ASP 1.014 14.689 53.869 87 ILE 2.717 17.499 51.973 88 ASP 1.312 20.991 51.469 89 THR 3.043 23.211 48.924 90 SER 0.119 25.531 48.220 91 THR 2.005 28.622 49.414 92 VAL 5.475 27.478 48.359 93 GLY 7.462 24.355 47.568 94 VAL 8.650 22.399 50.584 95 LYS 11.989 20.677 51.098 96 VAL 12.093 17.516 53.205 97 ILE 15.308 15.847 54.340 98 ILE 15.525 12.228 55.505 99 GLU 18.111 11.078 58.060 100 ARG 20.631 8.438 56.972 101 GLY 18.879 5.097 56.797 102 GLU 19.643 1.400 57.007 103 LEU 18.507 -1.361 54.669 104 GLY 14.719 -1.444 54.584 105 ASP 14.086 1.895 56.293 106 CYS 11.086 3.662 54.795 107 VAL 9.479 7.118 54.547 108 GLU 6.204 7.762 52.689 109 PHE 4.559 10.909 51.342 110 ILE 1.139 11.819 49.997 111 ASN -0.437 15.011 48.674 112 SER -4.078 15.126 49.759 113 ASN -4.697 18.747 48.753 114 GLY -2.936 18.236 45.419 115 SER -0.749 21.298 45.866 116 ILE 2.335 19.644 44.366 117 SER 3.343 21.239 41.058 118 VAL 6.388 22.398 39.108 119 THR 6.295 25.825 40.787 120 ASN 5.500 24.452 44.262 121 PRO 7.351 21.108 44.164 122 LEU 8.147 18.550 46.830 123 THR 11.945 18.353 47.073 124 ILE 13.306 15.275 48.826 125 GLN 16.876 14.813 49.988 126 ALA 17.727 11.356 51.319 127 ILE 20.920 11.483 53.405 128 ASP 23.700 10.455 51.065 129 SER 21.739 9.764 47.885 130 ILE 18.880 8.434 45.772 131 LYS 19.611 5.979 42.953 132 GLY 19.123 7.253 39.409 133 VAL 18.969 10.773 40.784 134 SER 21.783 13.318 40.906 135 GLY 21.055 15.399 43.985 136 ASN 17.545 15.859 45.377 137 LEU 14.439 14.122 44.066 138 VAL 12.105 16.773 42.671 139 VAL 8.455 15.705 42.715 140 THR 6.004 17.732 40.656 141 SER 3.138 15.268 40.231 142 PRO 0.011 16.501 42.051 143 TYR -1.942 14.087 44.258 144 SER 0.934 11.630 44.273 145 LYS 2.265 9.038 46.682 146 VAL 6.011 8.832 47.131 147 THR 7.751 5.944 48.825 148 LEU 11.441 6.028 49.684 149 ARG 13.283 2.880 50.715 150 CYS 16.896 2.311 51.727 151 ILE 18.342 -0.350 49.436 152 SER 21.836 -0.233 50.915 153 SER 23.419 0.955 54.159 154 ASP 26.462 -0.920 55.477 155 ASN 28.823 1.926 56.387 156 SER 28.429 5.165 54.406 157 THR 26.876 3.393 51.432 158 SER 23.408 4.620 52.447 159 VAL 21.529 4.688 49.139 160 TRP 17.776 4.985 48.577 161 ASN 15.441 4.282 45.665 162 TYR 11.873 5.444 45.172 163 SER 8.498 4.912 43.588 164 ILE 5.912 7.521 42.731 165 GLU 2.291 6.776 41.956 166 SER -1.111 8.421 41.750 167 MET -3.208 8.453 44.903 168 PHE -6.336 8.267 42.752 169 GLY -7.650 6.717 39.568 170 GLN -9.159 3.513 38.204 171 LYS -6.214 1.128 37.910 172 GLU -7.899 -2.266 38.336 173 SER -7.609 -5.129 35.896 174 PRO -10.912 -6.921 35.238 175 ALA -9.161 -10.127 34.199 176 GLU -5.798 -11.850 34.290 177 GLY -5.029 -15.544 34.126 178 THR -4.413 -18.561 31.931 179 TRP -7.062 -20.730 30.303 180 ASN -6.978 -23.957 28.329 181 ILE -8.426 -24.006 24.842 182 SER -10.850 -26.928 25.197 183 THR -10.595 -29.933 22.876 184 SER -13.496 -28.433 20.920 185 GLY -10.897 -25.898 19.815 186 SER -12.509 -22.847 21.377 187 VAL -12.727 -21.110 24.736 188 ASP -14.804 -18.204 26.039 189 ILE -13.221 -15.897 28.595 190 PRO -15.548 -13.352 30.213 191 LEU -13.693 -10.076 30.773 192 PHE -16.213 -7.772 32.437 193 HIS -19.872 -6.762 32.532 194 ARG -20.912 -4.686 29.525 195 THR -21.526 -1.635 31.749 196 GLU -18.138 -1.553 33.509 197 TYR -15.911 -0.060 30.778 198 ASN -16.184 1.563 27.349 199 MET -12.797 0.314 26.180 200 ALA -10.161 -2.098 27.365 201 LYS -6.673 -3.128 26.352 202 LEU -5.455 -6.664 26.693 203 LEU -2.497 -8.915 26.037 204 VAL -3.074 -12.408 24.720 205 THR -0.387 -15.079 24.444 206 CYS -1.243 -18.577 23.201 207 GLN 1.281 -21.402 23.460 208 SER 1.181 -25.137 22.749 209 VAL 1.851 -27.532 25.642 210 ASP 5.109 -28.390 23.876 211 GLY 6.167 -24.821 23.134 212 ARG 6.721 -25.057 19.379 213 LYS 3.675 -22.952 18.514 214 ILE 3.170 -19.551 20.090 215 LYS 1.404 -16.290 19.297 216 THR 0.981 -13.008 21.173 217 ALA -1.089 -10.003 20.252 218 GLU -2.217 -6.742 21.787 219 ILE -5.897 -5.881 21.355 220 ASN -7.888 -2.718 22.069 221 ILE -11.660 -3.233 22.265 222 LEU -14.583 -0.823 22.186 223 VAL -17.886 -1.678 23.814 224 ASP -20.853 -0.821 21.603 225 THR -23.631 -1.014 24.189 226 VAL -26.283 0.198 21.742 227 ASN -25.775 -2.664 19.267 228 SER -24.644 -5.071 21.998 229 GLU -21.328 -5.658 20.204 230 VAL -17.611 -5.072 20.666 231 ILE -15.216 -3.626 18.082 232 SER -11.603 -4.771 18.314 233 SER -8.227 -3.748 16.966 234 GLU -5.569 -6.481 17.114 235 TYR -1.970 -5.483 16.363 236 ALA 1.716 -6.173 17.100 237 VAL 0.991 -9.797 16.313 238 MET 3.986 -12.139 16.676 239 ARG 4.158 -15.887 15.892 240 VAL 6.913 -18.534 16.109 241 GLY 6.066 -22.095 15.054 242 ASN 3.589 -20.983 12.405 243 GLU 3.485 -23.568 9.624 244 THR 2.245 -20.859 7.229 245 GLU 2.200 -17.058 6.930 246 GLU -1.599 -17.228 6.549 247 ASP -4.287 -17.412 9.277 248 GLU -2.344 -19.002 12.134 249 ILE -1.905 -20.514 15.588 250 ALA -4.877 -18.839 17.255 251 ASN -7.762 -16.517 16.557 252 ILE -9.167 -13.987 18.987 253 ALA -12.695 -12.623 18.683 254 PHE -14.899 -10.494 20.904 255 SER -18.605 -10.071 21.595 256 ILE -21.099 -9.742 24.403 257 LYS -22.318 -13.029 25.883 258 GLU -24.647 -13.146 28.889 259 ASN -24.137 -9.387 29.121 260 TYR -20.383 -9.774 29.611 261 VAL -17.784 -8.442 27.201 262 THR -16.167 -11.757 26.270 263 ALA -13.053 -12.983 24.497 264 THR -13.355 -16.113 22.376 265 ILE -10.051 -17.883 21.745 266 SER -9.911 -20.657 19.163 267 SER -7.119 -22.677 17.540 268 SER -6.609 -25.615 15.158 269 THR -3.552 -26.733 17.105 270 VAL -4.594 -29.264 19.749 271 GLY -3.406 -28.692 23.311 272 MET -3.210 -24.891 23.333 273 ARG -3.055 -22.642 26.404 274 ALA -4.079 -18.972 26.351 275 ALA -2.961 -16.261 28.758 276 VAL -5.231 -13.208 28.747 277 LYS -4.532 -10.066 30.733 278 VAL -6.361 -6.719 30.656 279 ILE -3.732 -4.021 31.174 280 ALA -5.812 -0.875 30.725 281 THR -9.396 0.388 30.729 282 GLN -11.292 3.605 30.203 283 LYS -14.725 4.439 31.542 284 ILE -16.570 7.606 30.591 285 GLY -17.547 9.306 33.812 286 VAL -19.225 12.595 34.656 287 ALA -17.504 15.726 33.363 288 GLN -15.702 17.685 36.078 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S S S S/S S S S 10 S S C C C C C C H H 20 H H H H H H H H H H 30 H H H H H H H H H H 40 H H H H H H 3 3 3 3/T 50 T T T/S S S S S S S S 60 S T T T T/S S S S S S 70 S/H H H H H H/S S S S S 80 S S S S S S S S S/T T 90 T T/S S S S S S S S S/S 100 S S S/S S S S S S S S 110 S/T T T T C C T T T T/S 120 S S S S S S/T T T T T 130 T T T C S S S S S S 140 S C S S S S S S S S 150 S S T T T T S S S S 160 S S/S S S S S S/S S S S/S 170 S S S S S S S S/S S S 180 S S/T T T T/S S S S S S 190 S S T T T T C S S S 200 S S S S S S S S/T T T 210 T S S S S S S/S S S S 220 S S S S/T T T T S S S 230 S S S S S S/S S S S S 240 S C C C C S S S S/S S 250 S S S S S S/T T T T S 260 S S S S S S S S/S S S 270 S/S S S S S S S S S S/S 280 S S S S S S/S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 10 t T T t S S S S h H 20 H H H H H H H H H H 30 H H H H H H H H H h 40 T t S g G G G G G g 50 S S S t T T t 60 t T T t B 70 t T g G G G g B t 80 T T e E E E e S 90 S S E E E E E 100 t T T e E E E E E 110 e T T t S S S 120 e E E E E E e S E E 130 e T t S S S E E E 140 t T e E E E E E E E 150 E E S S S e E E 160 E E E E E E e S S 170 S e E E E E E 180 e t T T e E E E E E 190 E E E e T T t e E E 200 E E E E E E E E e T 210 t S e E E E E E E E 220 E E E E T T T T E E 230 E E E E E E E E E e 240 S S S S S S S 250 E E E E E E E T e E 260 E E E E E E e S S S 270 e E E E E E E E E E 280 E E Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 MET 0.0 0.0 90.1 2 PHE 18.2 10.9 80.8 3 ILE 13.0 9.1 83.1 4 GLN 21.8 14.7 76.7 5 GLU 36.6 26.4 75.2 6 PRO 11.2 9.0 85.7 7 LYS 32.2 18.6 77.3 8 LYS 45.0 26.0 84.4 9 LEU 35.1 23.7 80.0 10 ILE 5.9 4.1 82.0 11 ASP 30.4 27.5 76.9 12 THR 23.0 21.5 71.9 13 GLY 0.0 0.0 87.1 14 GLU 43.6 31.5 85.0 15 ILE 28.9 20.2 77.4 16 GLY 6.3 18.2 78.7 17 ASN 37.7 31.2 76.5 18 ALA 10.8 14.9 78.0 19 SER 46.0 55.1 74.8 20 THR 15.8 14.8 67.3 21 GLY 0.0 0.0 80.3 22 ASP 55.3 50.1 73.7 23 ILE 51.1 35.6 67.7 24 LEU 45.2 30.6 72.9 25 PHE 31.6 18.9 89.8 26 ASP 30.8 27.9 69.5 27 GLY 11.7 33.7 69.8 28 GLY 11.3 32.6 76.7 29 ASN 37.6 31.1 70.3 30 LYS 27.1 15.6 81.0 31 ILE 38.5 26.8 72.1 32 ASN 25.6 21.2 74.5 33 SER 18.4 22.0 80.5 34 ASP 19.5 17.7 77.6 35 PHE 58.5 35.0 63.6 36 ASN 67.1 55.5 66.4 37 ALA 14.7 20.3 77.7 38 ILE 61.1 42.6 57.2 39 TYR 106.3 58.7 62.4 40 ASN 97.9 81.0 61.4 41 ALA 27.3 37.6 74.4 42 PHE 79.8 47.9 63.6 43 GLY 34.8 100.0 64.0 44 ASP 98.4 89.1 55.6 45 GLN 94.7 63.7 68.7 46 ARG 89.7 42.9 79.5 47 LYS 121.6 70.1 65.8 48 MET 106.2 66.6 78.3 49 ALA 5.6 7.7 84.3 50 VAL 24.3 20.5 79.8 51 ALA 28.7 39.5 73.0 52 ASN 19.8 16.3 80.0 53 GLY 34.5 99.0 56.8 54 THR 31.5 29.5 75.2 55 GLY 1.5 4.4 78.9 56 ALA 0.0 0.0 87.8 57 ASP 6.1 5.5 82.7 58 GLY 30.7 88.2 66.9 59 GLN 143.0 96.2 52.0 60 ILE 42.3 29.5 76.7 61 ILE 86.6 60.4 57.1 62 HIS 101.2 67.4 61.2 63 ALA 0.0 0.0 83.6 64 THR 2.9 2.7 81.8 65 GLY 30.0 86.3 68.2 66 TYR 150.0 82.9 69.0 67 TYR 152.8 84.4 53.6 68 GLN 143.0 96.3 62.0 69 LYS 105.7 61.0 78.0 70 HIS 119.6 79.7 62.7 71 SER 33.5 40.0 76.4 72 ILE 41.4 28.8 66.0 73 THR 7.2 6.8 76.9 74 GLU 49.8 36.0 79.1 75 TYR 171.9 94.9 48.0 76 ALA 16.9 23.2 78.6 77 THR 26.8 25.1 76.9 78 PRO 69.2 55.6 62.2 79 VAL 102.0 85.9 54.6 80 LYS 38.1 22.0 81.7 81 VAL 84.8 71.4 64.0 82 GLY 6.3 18.2 80.5 83 THR 67.2 62.9 61.5 84 ARG 138.8 66.4 70.2 85 HIS 149.3 99.4 39.1 86 ASP 100.6 91.1 54.5 87 ILE 142.0 98.9 37.7 88 ASP 47.5 43.0 82.8 89 THR 106.9 100.0 51.9 90 SER 34.8 41.6 76.4 91 THR 8.9 8.3 82.2 92 VAL 43.9 36.9 75.2 93 GLY 28.0 80.3 54.1 94 VAL 107.7 90.7 45.7 95 LYS 102.6 59.2 67.3 96 VAL 118.8 100.0 30.8 97 ILE 112.1 78.1 59.7 98 ILE 143.5 100.0 31.3 99 GLU 98.1 70.7 52.3 100 ARG 101.2 48.5 74.4 101 GLY 34.4 98.9 50.6 102 GLU 16.5 11.9 81.1 103 LEU 40.0 27.1 77.4 104 GLY 9.5 27.3 69.4 105 ASP 76.8 69.5 51.1 106 CYS 81.0 81.6 64.0 107 VAL 118.5 99.7 41.1 108 GLU 110.2 79.5 57.8 109 PHE 165.9 99.5 28.2 110 ILE 121.7 84.8 47.2 111 ASN 120.9 100.0 58.0 112 SER 42.6 50.9 66.0 113 ASN 58.0 47.9 76.1 114 GLY 34.7 99.6 61.6 115 SER 70.4 84.2 72.6 116 ILE 142.0 98.9 53.9 117 SER 45.3 54.2 74.3 118 VAL 23.4 19.7 70.0 119 THR 18.1 16.9 81.4 120 ASN 94.3 78.0 70.6 121 PRO 99.1 79.6 63.1 122 LEU 147.3 99.7 28.3 123 THR 81.8 76.5 49.8 124 ILE 143.5 100.0 28.7 125 GLN 90.5 60.9 58.5 126 ALA 72.6 100.0 41.3 127 ILE 101.6 70.8 67.1 128 ASP 73.1 66.2 77.1 129 SER 38.1 45.5 70.0 130 ILE 143.0 99.7 43.4 131 LYS 54.0 31.1 73.7 132 GLY 0.0 0.0 77.7 133 VAL 98.5 82.9 63.5 134 SER 0.0 0.0 85.9 135 GLY 0.0 0.0 82.6 136 ASN 76.3 63.1 58.3 137 LEU 133.4 90.3 33.5 138 VAL 53.4 44.9 64.1 139 VAL 114.9 96.7 39.0 140 THR 65.8 61.6 55.7 141 SER 38.9 46.5 58.2 142 PRO 61.3 49.3 75.8 143 TYR 86.0 47.5 67.3 144 SER 82.9 99.2 46.4 145 LYS 107.4 61.9 70.8 146 VAL 117.6 99.0 35.7 147 THR 84.4 79.0 65.1 148 LEU 147.8 100.0 27.4 149 ARG 97.0 46.4 64.7 150 CYS 99.2 100.0 53.3 151 ILE 85.2 59.4 54.4 152 SER 52.4 62.7 55.7 153 SER 67.3 80.4 60.2 154 ASP 5.7 5.1 85.0 155 ASN 0.6 0.5 83.5 156 SER 23.3 27.8 87.5 157 THR 34.9 32.6 77.1 158 SER 83.2 99.5 61.4 159 VAL 81.6 68.7 58.9 160 TRP 205.0 100.0 44.8 161 ASN 69.4 57.4 56.5 162 TYR 126.3 69.8 48.9 163 SER 29.8 35.6 70.8 164 ILE 88.5 61.7 54.1 165 GLU 54.9 39.6 79.3 166 SER 28.7 34.4 79.3 167 MET 132.2 82.9 50.3 168 PHE 50.6 30.3 70.4 169 GLY 2.9 8.2 69.8 170 GLN 61.4 41.3 75.6 171 LYS 69.7 40.2 82.8 172 GLU 59.8 43.2 78.1 173 SER 56.5 67.6 71.4 174 PRO 107.5 86.4 49.5 175 ALA 57.6 79.4 58.3 176 GLU 60.3 43.5 68.7 177 GLY 8.8 25.2 67.1 178 THR 54.0 50.5 59.1 179 TRP 122.3 59.7 62.4 180 ASN 21.2 17.5 76.7 181 ILE 140.8 98.2 47.6 182 SER 31.4 37.5 84.0 183 THR 0.0 0.0 91.8 184 SER 16.2 19.3 88.5 185 GLY 20.7 59.5 78.6 186 SER 45.7 54.6 62.8 187 VAL 94.6 79.6 57.3 188 ASP 65.6 59.4 61.7 189 ILE 143.0 99.6 28.0 190 PRO 53.3 42.8 67.4 191 LEU 147.8 100.0 28.3 192 PHE 162.4 97.4 33.3 193 HIS 93.2 62.1 55.2 194 ARG 160.3 76.8 51.9 195 THR 29.8 27.9 68.4 196 GLU 69.3 50.0 65.4 197 TYR 167.5 92.5 54.0 198 ASN 73.7 60.9 52.5 199 MET 115.3 72.3 59.2 200 ALA 72.6 100.0 29.8 201 LYS 127.7 73.7 59.1 202 LEU 147.8 100.0 30.6 203 LEU 79.9 54.0 58.5 204 VAL 118.4 99.7 34.5 205 THR 63.9 59.8 52.2 206 CYS 98.7 99.5 35.0 207 GLN 79.9 53.8 65.3 208 SER 82.9 99.2 56.7 209 VAL 42.3 35.6 77.0 210 ASP 57.8 52.3 68.7 211 GLY 22.6 64.9 80.5 212 ARG 73.8 35.3 75.6 213 LYS 164.7 95.0 56.9 214 ILE 98.4 68.6 50.3 215 LYS 159.2 91.8 48.1 216 THR 68.9 64.5 59.2 217 ALA 71.4 98.3 50.3 218 GLU 101.0 72.9 50.7 219 ILE 142.9 99.6 39.0 220 ASN 69.2 57.2 60.6 221 ILE 142.9 99.6 30.7 222 LEU 57.3 38.8 63.5 223 VAL 118.5 99.8 41.8 224 ASP 75.3 68.1 61.2 225 THR 52.7 49.3 70.3 226 VAL 6.3 5.3 94.0 227 ASN 45.8 37.9 75.6 228 SER 43.0 51.5 76.0 229 GLU 40.2 29.0 73.6 230 VAL 118.6 99.9 40.9 231 ILE 49.7 34.6 69.5 232 SER 56.9 68.0 53.5 233 SER 20.0 23.9 72.0 234 GLU 102.9 74.3 55.5 235 TYR 96.0 53.0 76.3 236 ALA 22.7 31.3 69.8 237 VAL 86.0 72.4 62.9 238 MET 30.8 19.3 85.6 239 ARG 153.2 73.3 60.3 240 VAL 28.8 24.3 78.7 241 GLY 15.4 44.1 68.1 242 ASN 102.7 85.0 65.3 243 GLU 25.4 18.3 86.7 244 THR 50.7 47.4 75.6 245 GLU 26.6 19.2 86.5 246 GLU 25.5 18.4 76.5 247 ASP 17.0 15.4 86.7 248 GLU 110.2 79.5 68.8 249 ILE 141.9 98.9 47.8 250 ALA 72.0 99.1 41.9 251 ASN 48.8 40.4 85.1 252 ILE 142.9 99.6 39.0 253 ALA 16.7 23.0 72.2 254 PHE 165.0 99.0 34.9 255 SER 45.3 54.1 59.2 256 ILE 138.8 96.8 56.3 257 LYS 92.5 53.3 79.1 258 GLU 0.0 0.0 85.7 259 ASN 46.9 38.8 73.4 260 TYR 88.5 48.9 69.0 261 VAL 118.8 100.0 31.2 262 THR 103.3 96.7 53.2 263 ALA 72.6 100.0 34.3 264 THR 79.6 74.4 67.9 265 ILE 143.5 100.0 28.5 266 SER 47.4 56.7 62.3 267 SER 77.9 93.2 55.8 268 SER 0.0 0.0 89.8 269 THR 91.3 85.4 57.2 270 VAL 0.0 0.0 90.5 271 GLY 8.1 23.3 68.8 272 MET 159.4 100.0 46.2 273 ARG 124.8 59.8 70.7 274 ALA 72.6 100.0 38.6 275 ALA 35.6 49.1 70.3 276 VAL 118.8 100.0 29.9 277 LYS 82.1 47.3 67.2 278 VAL 118.7 99.9 39.0 279 ILE 93.2 64.9 52.7 280 ALA 33.0 45.4 59.7 281 THR 103.7 97.0 42.2 282 GLN 27.1 18.2 76.0 283 LYS 90.6 52.2 79.5 284 ILE 24.6 17.1 84.5 285 GLY 2.1 6.1 77.7 286 VAL 0.0 0.0 89.8 287 ALA 0.0 0.0 81.4 288 GLN 0.0 0.0 92.4