Protein Data Bank File : 1aym1 Title : RHINOVIRUS COAT PROTEIN 06-NOV-97 1AYM Number of Amino Acid Residues : 285 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ASN PRO VAL GLU ARG TYR VAL ASP GLU VAL 10 LEU ASN GLU VAL LEU VAL VAL PRO ASN ILE 20 ASN GLN SER HIS PRO THR THR SER ASN ALA 30 ALA PRO VAL LEU ASP ALA ALA GLU THR GLY 40 HIS THR ASN LYS ILE GLN PRO GLU ASP THR 50 ILE GLU THR ARG TYR VAL GLN SER SER GLN 60 THR LEU ASP GLU MET SER VAL GLU SER PHE 70 LEU GLY ARG SER GLY CYS ILE HIS GLU SER 80 VAL LEU ASP ILE VAL ASP ASN TYR ASN ASP 90 GLN SER PHE THR LYS TRP ASN ILE ASN LEU 100 GLN GLU MET ALA GLN ILE ARG ARG LYS PHE 110 GLU MET PHE THR TYR ALA ARG PHE ASP SER 120 GLU ILE THR MET VAL PRO SER VAL ALA ALA 130 LYS ASP GLY HIS ILE GLY HIS ILE VAL MET 140 GLN TYR MET TYR VAL PRO PRO GLY ALA PRO 150 ILE PRO THR THR ARG ASP ASP TYR ALA TRP 160 GLN SER GLY THR ASN ALA SER VAL PHE TRP 170 GLN HIS GLY GLN PRO PHE PRO ARG PHE SER 180 LEU PRO PHE LEU SER ILE ALA SER ALA TYR 190 TYR MET PHE TYR ASP GLY TYR ASP GLY ASP 200 THR TYR LYS SER ARG TYR GLY THR VAL VAL 210 THR ASN ASP MET GLY THR LEU CYS SER ARG 220 ILE VAL THR SER GLU GLN LEU HIS LYS VAL 230 LYS VAL VAL THR ARG ILE TYR HIS LYS ALA 240 LYS HIS THR LYS ALA TRP CYS PRO ARG PRO 250 PRO ARG ALA VAL GLN TYR SER HIS THR HIS 260 THR THR ASN TYR LYS LEU SER SER GLU VAL 270 HIS ASN ASP VAL ALA ILE ARG PRO ARG THR 280 ASN LEU THR THR VAL Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ASN 0.0 118.6 -179.6 -60.3 -60.4 2 PRO -56.0 -14.9 178.6 28.7 -43.6 3 VAL -89.8 -35.9 176.6 -177.0 4 GLU -68.9 -38.8 176.6 -180.0 -179.9 -0.4 5 ARG -63.7 -34.5 178.9 -59.7 180.0 -179.9 -179.9 6 TYR -64.5 -47.8 179.6 168.7 67.2 7 VAL -58.5 -39.4 179.0 176.7 8 ASP -62.5 -34.9 178.8 -72.8 -14.9 9 GLU -66.5 -47.7 -179.4 -77.9 -179.2 39.3 10 VAL -62.2 -41.4 -179.9 -179.0 11 LEU -85.2 -13.4 -179.8 -61.1 -177.2 12 ASN 65.2 49.3 -179.2 -67.7 136.3 13 GLU -128.2 41.6 179.7 -54.0 -177.6 -31.9 14 VAL -77.0 -37.8 -177.9 176.5 15 LEU -119.5 100.7 -178.6 -44.8 165.4 16 VAL -92.3 145.6 178.6 -60.8 17 VAL -89.3 146.6 -179.7 -39.3 18 PRO -66.4 158.7 178.9 4.3 -0.5 19 ASN -77.7 164.8 173.4 -66.3 -23.3 20 ILE -102.4 126.8 -178.6 -63.8 -59.2 21 ASN -97.2 154.6 178.1 -55.6 116.5 22 GLN -68.8 136.9 179.0 180.0 -176.3 37.0 23 SER -123.3 169.7 -177.2 65.6 24 HIS -132.6 171.7 179.0 -47.8 -79.6 25 PRO -65.3 148.3 178.9 2.3 -3.2 26 THR -139.0 150.7 176.1 58.0 27 THR -139.0 96.6 -173.9 -44.6 28 SER -142.7 163.0 178.1 174.3 29 ASN -93.9 3.8 173.3 33.1 60.1 30 ALA -97.0 115.4 -177.6 31 ALA -115.7 84.4 180.0 32 PRO -56.9 -25.1 -178.4 -2.0 3.4 33 VAL -72.2 -18.8 -180.0 -64.6 34 LEU -96.2 138.9 -179.4 -63.9 176.8 35 ASP -161.5 -163.3 -179.6 -159.1 46.8 36 ALA -140.3 103.3 179.5 37 ALA -64.5 -16.0 179.2 38 GLU -57.4 -31.1 -179.1 -69.9 90.2 -14.3 39 THR -61.9 -22.7 -179.3 61.0 40 GLY 91.0 3.9 -179.7 41 HIS -105.6 156.9 179.0 -52.5 -58.5 42 THR -94.8 134.1 179.5 -64.8 43 ASN -65.6 124.2 -178.3 -171.2 -4.9 44 LYS -85.2 29.8 179.8 -69.6 -47.4 177.0 173.2 45 ILE -65.5 143.3 -179.4 -174.6 127.3 46 GLN -122.4 166.2 -179.7 -59.7 -60.3 -22.5 47 PRO -54.0 -31.6 179.7 17.1 -35.0 48 GLU -65.4 -19.6 -178.3 -64.0 98.0 -29.8 49 ASP -85.1 -20.7 -177.0 -57.5 -49.5 50 THR -111.8 -19.5 179.5 63.8 51 ILE -140.7 169.3 177.5 68.1 157.8 52 GLU -89.0 108.1 -179.0 -66.3 -169.5 46.9 53 THR -96.7 163.7 176.7 45.8 54 ARG -103.6 170.1 177.8 60.9 166.4 -62.1 152.9 55 TYR -85.1 130.3 179.3 166.5 51.6 56 VAL -135.9 128.7 178.4 179.9 57 GLN -85.3 119.3 179.9 -98.6 178.5 -129.8 58 SER -79.9 140.6 179.1 -71.7 59 SER -127.8 14.1 -179.7 -61.7 60 GLN -88.4 148.3 179.2 -62.1 69.5 -118.8 61 THR -126.9 153.2 -178.1 62.7 62 LEU -100.7 7.8 -178.8 -56.2 165.0 63 ASP -50.0 -46.9 -178.3 -62.1 33.9 64 GLU -69.0 -16.8 179.4 -160.0 -179.6 2.0 65 MET -91.6 1.6 179.8 -69.0 179.5 76.4 66 SER -64.8 156.0 178.7 62.2 67 VAL -62.1 -36.6 178.9 166.5 68 GLU -59.1 -44.3 -180.0 -175.1 74.4 14.9 69 SER -68.8 -46.9 -179.2 171.6 70 PHE -57.5 -46.2 -179.0 -171.6 58.2 71 LEU -97.8 -3.8 -178.9 -57.3 178.2 72 GLY -89.2 39.5 178.7 73 ARG -126.9 132.3 -177.5 -75.0 149.6 -153.4 -90.7 74 SER -73.1 118.2 179.7 -161.7 75 GLY -124.8 155.1 -179.4 76 CYS -70.9 133.7 179.3 -171.1 77 ILE -120.7 -9.7 -178.8 62.8 168.4 78 HIS -168.3 145.9 178.2 179.4 69.4 79 GLU -126.0 101.3 -178.9 -61.4 -179.1 -46.4 80 SER -85.5 127.6 -179.1 -170.5 81 VAL -116.5 127.6 177.0 -177.4 82 LEU -122.8 97.0 -178.3 -76.1 -178.3 83 ASP -107.4 107.3 -180.0 -165.5 5.4 84 ILE -78.6 106.9 -179.3 -53.3 -57.4 85 VAL -104.2 -61.9 -178.6 178.4 86 ASP -143.5 0.3 -179.9 54.9 14.1 87 ASN -146.6 98.2 -178.9 -170.2 -40.9 88 TYR -57.1 -47.4 -178.9 -161.4 78.4 89 ASN -56.9 -37.8 -178.7 -63.1 138.7 90 ASP -87.4 -31.7 -176.7 -70.6 -1.2 91 GLN -96.8 -1.6 -178.5 -69.3 138.8 24.8 92 SER -92.1 6.8 179.2 59.7 93 PHE -149.3 157.7 -179.3 77.0 -78.4 94 THR -160.3 179.1 -179.5 -169.3 95 LYS -147.4 156.4 179.9 62.2 170.5 -175.5 169.3 96 TRP -146.4 125.4 178.3 173.8 59.8 97 ASN -75.1 109.2 -176.7 -147.1 -155.4 98 ILE -61.1 135.2 178.8 -53.6 174.9 99 ASN -167.0 163.2 179.4 74.1 84.7 100 LEU -112.2 27.0 -177.8 -62.2 -177.9 101 GLN -103.4 -10.2 -176.6 -55.9 -94.3 -63.8 102 GLU -85.8 -17.9 179.2 -65.1 170.4 26.4 103 MET -116.3 115.3 -178.0 -56.1 -60.6 -155.5 104 ALA -52.5 -39.7 -178.1 105 GLN -53.4 -55.2 -179.9 -68.0 -146.1 -43.3 106 ILE -83.7 -28.5 179.9 67.7 122.9 107 ARG -58.7 -45.6 -179.2 179.3 179.3 172.5 170.2 108 ARG -61.5 -37.1 -179.7 -169.5 168.3 -173.9 -106.7 109 LYS -67.5 -46.5 179.1 -59.0 -149.4 -66.5 175.4 110 PHE -66.0 -33.2 -179.1 -79.2 -83.3 111 GLU -76.4 5.5 176.7 -72.6 -175.9 -1.5 112 MET -86.1 6.0 179.0 -80.5 177.2 78.5 113 PHE -134.6 152.0 -179.5 -54.8 -75.7 114 THR -81.8 -41.4 179.6 -55.0 115 TYR -132.5 149.8 179.2 -47.9 -76.0 116 ALA -150.1 144.5 179.7 117 ARG -131.7 127.9 -178.8 178.8 -179.0 173.5 112.1 118 PHE -166.1 161.3 176.1 52.9 85.4 119 ASP -93.8 158.4 -178.1 -69.0 -36.6 120 SER -120.3 136.9 176.3 -65.7 121 GLU -108.9 122.2 179.1 176.2 -164.8 84.3 122 ILE -111.7 126.2 178.1 -79.7 69.2 123 THR -121.4 136.9 -179.2 -50.2 124 MET -116.4 137.3 179.3 -57.8 175.5 150.8 125 VAL -119.6 95.1 179.8 176.7 126 PRO -89.7 139.8 177.8 -6.9 29.3 127 SER -133.1 122.4 -178.5 53.9 128 VAL -98.5 111.4 179.3 -173.9 129 ALA -89.4 121.6 179.4 130 ALA -81.3 89.5 -179.2 131 LYS -65.1 -34.8 -179.7 -60.8 165.1 65.8 -173.2 132 ASP -107.2 -0.8 179.0 -62.3 -20.7 133 GLY 125.4 -54.4 -179.9 134 HIS -109.6 153.0 178.8 -71.4 127.6 135 ILE -107.7 -18.2 -179.8 62.0 179.0 136 GLY 69.1 -139.6 179.4 137 HIS -116.9 101.4 -179.6 -179.6 -135.7 138 ILE -91.8 123.0 177.5 -61.7 -64.5 139 VAL -124.4 128.6 -178.8 176.2 140 MET -113.1 152.3 176.7 -60.9 -67.0 -60.7 141 GLN -127.6 126.0 178.5 176.4 178.2 2.3 142 TYR -119.3 111.7 -178.6 -56.5 -81.3 143 MET -109.3 129.3 178.7 -179.2 168.1 67.5 144 TYR -89.9 114.7 -179.1 177.2 54.0 145 VAL -107.8 104.3 179.7 -177.8 146 PRO -66.0 153.2 179.8 -26.7 42.5 147 PRO -53.8 124.7 -179.9 13.6 -32.3 148 GLY 112.6 -32.1 179.6 149 ALA -69.3 147.1 -179.8 150 PRO -62.4 130.4 179.0 27.5 -41.7 151 ILE -91.0 127.7 -180.0 -68.3 -178.6 152 PRO -62.6 134.6 -179.7 25.8 -41.0 153 THR -105.1 -5.6 179.0 54.4 154 THR -145.1 165.3 179.9 61.9 155 ARG -70.8 -11.6 179.8 68.4 162.7 -79.6 101.9 156 ASP -118.9 17.6 179.8 -67.4 -57.9 157 ASP -56.3 143.6 -179.5 -164.9 -71.2 158 TYR -60.5 -23.1 -179.9 84.0 -68.0 159 ALA -59.5 -27.9 179.7 160 TRP -66.1 -11.5 178.6 -63.9 113.0 161 GLN -59.4 -28.3 178.5 -75.9 171.3 24.1 162 SER 52.3 43.0 179.7 -141.5 163 GLY -58.6 -25.6 -179.6 164 THR -131.6 -40.4 -180.0 -49.0 165 ASN -63.3 155.2 178.7 -65.9 162.2 166 ALA -85.9 127.5 177.7 167 SER -124.9 144.5 177.8 -87.7 168 VAL -119.4 124.2 179.2 176.0 169 PHE -105.3 129.5 179.8 -69.6 84.6 170 TRP -122.9 139.7 -179.8 173.9 78.6 171 GLN -114.2 128.4 179.9 -177.9 177.1 -163.0 172 HIS -51.7 132.2 -179.2 143.6 -98.7 173 GLY 104.4 -26.2 179.3 174 GLN -82.5 157.6 179.9 -69.5 -66.7 -61.8 175 PRO -56.8 158.1 -179.3 14.8 -32.5 176 PHE -56.5 131.2 179.8 -54.8 -66.3 177 PRO -68.1 149.7 -179.7 26.8 -39.7 178 ARG -158.0 140.5 178.9 171.2 -176.3 -78.7 173.0 179 PHE -154.7 161.4 179.2 54.7 -88.6 180 SER -108.8 150.8 179.1 -66.4 181 LEU -126.3 123.0 178.0 -78.4 173.2 182 PRO -64.2 163.3 175.8 1.4 -0.4 183 PHE -53.2 117.7 -171.2 171.6 63.5 184 LEU -94.2 -11.3 -175.8 -52.4 162.7 185 SER -66.3 154.5 177.2 -170.6 186 ILE -87.3 -9.4 177.2 53.4 169.6 187 ALA -102.7 -179.3 -177.4 188 SER -82.3 -17.0 179.9 -73.0 189 ALA -156.6 159.5 178.0 190 TYR -79.4 142.4 177.4 -67.9 -55.4 191 TYR -88.4 120.9 177.0 -77.6 -87.5 192 MET -85.9 -27.0 179.1 -66.1 -58.0 107.0 193 PHE -140.0 148.2 -178.7 -67.7 84.3 194 TYR -150.1 104.2 179.8 -175.3 69.9 195 ASP -85.3 63.2 -178.7 -173.2 16.5 196 GLY -152.4 172.9 -178.4 197 TYR -127.0 168.2 177.9 -62.4 78.6 198 ASP -95.9 16.9 -179.7 62.1 -8.6 199 GLY -179.2 -170.2 -179.4 200 ASP -125.0 27.5 179.1 56.4 20.0 201 THR -112.8 169.5 179.8 64.9 202 TYR -59.9 -22.9 -179.9 64.6 -84.3 203 LYS -100.2 12.9 179.4 45.0 174.4 51.1 -169.6 204 SER -74.4 144.8 179.1 -63.3 205 ARG -76.9 145.8 -178.4 -65.5 176.7 -57.9 150.4 206 TYR -118.8 144.8 177.5 -179.0 59.5 207 GLY 95.7 -172.3 -178.0 208 THR -62.3 -11.4 178.5 55.8 209 VAL -65.6 -28.6 -179.6 72.1 210 VAL -69.2 -35.7 -177.0 174.5 211 THR -105.3 -26.2 -175.6 48.5 212 ASN -98.9 60.1 178.7 -54.0 1.0 213 ASP -98.8 111.8 -179.5 -171.0 -0.4 214 MET -106.1 10.7 179.1 -66.0 -59.0 116.9 215 GLY 93.1 -157.3 -178.7 216 THR -135.1 142.8 177.3 -52.6 217 LEU -103.4 116.2 -179.9 176.2 70.6 218 CYS -107.1 124.4 -179.6 -60.4 219 SER -113.7 153.4 -179.9 -53.8 220 ARG -159.9 141.6 173.0 108.4 161.8 137.0 150.6 221 ILE -80.5 114.8 -177.0 -59.6 177.2 222 VAL -69.6 -36.9 -179.8 176.1 223 THR -58.1 136.3 179.6 -51.6 224 SER -70.3 172.4 -178.2 47.7 225 GLU -51.1 129.5 180.0 -177.5 165.3 16.6 226 GLN -112.9 159.1 -179.9 -58.9 -169.1 103.8 227 LEU -59.2 -48.1 -179.1 178.1 62.6 228 HIS -90.1 130.8 -179.5 -63.7 129.6 229 LYS -77.9 145.8 -179.8 -61.6 171.7 -74.6 172.4 230 VAL -133.9 162.7 177.2 -62.6 231 LYS -126.4 109.5 -179.7 175.3 177.6 177.8 178.0 232 VAL -101.5 118.0 178.5 -175.1 233 VAL -111.9 119.7 179.0 -179.0 234 THR -110.2 115.5 179.0 -60.1 235 ARG -94.3 129.1 -178.9 -69.6 173.8 165.1 84.7 236 ILE -100.0 126.0 179.5 -42.4 -64.2 237 TYR -112.8 138.1 -178.3 -66.8 82.0 238 HIS -124.2 137.3 177.9 174.2 -82.5 239 LYS -132.8 136.1 178.6 -174.8 177.3 76.6 175.0 240 ALA -90.3 137.1 179.4 241 LYS -129.4 145.9 178.1 -59.9 -168.9 -61.7 -175.8 242 HIS 57.3 53.5 -176.5 -35.0 130.8 243 THR -87.6 142.7 176.0 -45.7 244 LYS -135.3 140.3 -179.1 -78.8 -162.6 179.4 -171.8 245 ALA -138.9 148.2 -178.4 246 TRP -132.3 151.1 177.4 -63.7 -97.7 247 CYS 50.9 83.8 -179.9 -48.8 248 PRO -64.4 153.2 -179.6 31.0 -42.1 249 ARG -142.3 166.9 -180.0 37.6 -153.2 -56.5 144.0 250 PRO -59.6 143.4 179.7 -27.2 41.7 251 PRO -72.2 152.7 179.2 -18.8 37.3 252 ARG -58.1 121.8 -178.0 177.5 71.0 175.3 -172.5 253 ALA -93.6 -19.4 -180.0 254 VAL -123.0 167.8 179.7 -67.0 255 GLN -65.4 148.6 177.6 -77.7 -163.4 63.3 256 TYR -79.9 150.5 178.2 -71.3 -67.0 257 SER -120.4 -37.4 -179.4 57.1 258 HIS -140.3 162.9 179.8 -64.9 -76.9 259 THR -78.6 150.1 178.5 58.4 260 HIS 60.3 15.0 180.0 -62.8 -63.7 261 THR -144.6 150.2 -179.8 -176.7 262 THR -87.7 3.5 -179.8 57.8 263 ASN -49.8 145.9 179.2 -67.7 -0.6 264 TYR -148.3 168.7 178.0 58.9 89.3 265 LYS -121.9 146.2 -179.9 38.8 -165.1 -63.4 -166.3 266 LEU -124.7 136.9 178.2 -85.1 -174.4 267 SER -88.8 179.9 179.5 64.1 268 SER -72.3 -22.3 178.2 38.7 269 GLU -113.3 82.6 -177.7 -81.3 171.8 24.7 270 VAL -53.2 -26.1 179.6 -56.3 271 HIS -63.2 -20.6 179.5 70.0 -89.5 272 ASN -81.9 -15.6 -178.5 -66.6 -51.8 273 ASP -88.4 -15.7 179.9 -57.0 -50.0 274 VAL -119.0 164.8 -179.5 -72.5 275 ALA -78.2 -4.3 -179.7 276 ILE -68.1 121.9 178.2 -60.1 175.2 277 ARG -91.7 122.9 -179.7 -65.6 -169.7 -164.7 153.4 278 PRO -54.7 134.0 179.0 -29.6 43.7 279 ARG -89.4 150.8 178.4 -53.6 -166.0 62.3 -161.6 280 THR -68.9 -43.6 178.7 -59.0 281 ASN -166.6 -177.3 -178.0 55.8 51.0 282 LEU -69.7 -21.4 -177.4 -78.1 168.1 283 THR -106.4 1.6 179.5 55.3 284 THR -95.3 106.8 -179.1 -56.9 285 VAL -70.2 146.3 0.0 -55.5 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ASN 37.703 14.125 89.516 2 PRO 39.834 12.249 92.134 3 VAL 42.939 13.997 90.784 4 GLU 41.529 17.503 91.173 5 ARG 40.391 16.395 94.599 6 TYR 43.912 15.126 95.151 7 VAL 45.440 18.530 94.377 8 ASP 43.005 20.111 96.846 9 GLU 44.311 17.702 99.493 10 VAL 47.938 18.626 98.841 11 LEU 47.130 22.350 98.880 12 ASN 44.608 21.992 101.731 13 GLU 41.845 23.746 99.816 14 VAL 39.003 21.245 100.091 15 LEU 36.712 23.556 102.088 16 VAL 36.797 27.173 100.932 17 VAL 35.219 30.084 102.808 18 PRO 32.893 32.384 100.817 19 ASN 33.815 35.763 99.384 20 ILE 32.667 39.135 100.614 21 ASN 30.545 40.912 98.046 22 GLN 30.329 44.632 97.459 23 SER 27.315 46.217 99.147 24 HIS 25.611 49.606 98.903 25 PRO 23.699 52.117 101.085 26 THR 20.172 51.066 101.903 27 THR 16.965 52.614 103.165 28 SER 14.464 49.837 103.715 29 ASN 11.707 48.581 106.043 30 ALA 13.524 45.269 106.055 31 ALA 15.896 45.372 109.028 32 PRO 18.161 42.284 108.952 33 VAL 20.009 43.551 112.053 34 LEU 16.854 43.114 114.144 35 ASP 15.756 39.655 115.252 36 ALA 14.713 37.586 118.277 37 ALA 17.272 35.435 120.087 38 GLU 14.302 33.921 121.972 39 THR 13.757 31.649 118.954 40 GLY 16.974 29.816 119.769 41 HIS 18.431 30.618 116.350 42 THR 21.461 32.738 115.476 43 ASN 20.795 35.805 113.303 44 LYS 22.464 35.051 109.969 45 ILE 23.415 38.656 109.299 46 GLN 26.662 39.133 107.370 47 PRO 28.977 42.155 106.939 48 GLU 27.351 43.186 103.642 49 ASP 24.127 43.834 105.572 50 THR 25.494 46.368 108.064 51 ILE 28.196 48.312 106.222 52 GLU 29.192 49.133 102.670 53 THR 31.703 46.423 101.842 54 ARG 34.061 46.039 98.911 55 TYR 34.403 42.832 96.925 56 VAL 37.116 40.553 98.349 57 GLN 38.111 37.110 97.052 58 SER 38.542 34.717 99.971 59 SER 41.463 32.279 99.974 60 GLN 40.977 30.805 103.446 61 THR 40.085 27.147 103.894 62 LEU 38.409 25.222 106.726 63 ASP 40.282 21.937 106.178 64 GLU 42.295 22.288 109.387 65 MET 39.117 22.888 111.402 66 SER 37.649 19.519 110.401 67 VAL 36.871 17.010 113.151 68 GLU 39.431 14.636 111.573 69 SER 42.099 17.335 111.948 70 PHE 41.046 18.457 115.435 71 LEU 41.142 14.955 116.928 72 GLY 43.724 13.554 114.506 73 ARG 46.821 14.505 116.484 74 SER 48.706 12.041 118.667 75 GLY 48.670 12.975 122.350 76 CYS 49.894 11.222 125.489 77 ILE 47.224 9.244 127.341 78 HIS 49.384 7.267 129.790 79 GLU 52.879 7.017 131.281 80 SER 53.658 3.440 132.336 81 VAL 56.458 3.049 134.888 82 LEU 58.471 -0.106 135.572 83 ASP 60.957 0.856 138.263 84 ILE 63.238 -1.970 139.385 85 VAL 64.001 -1.149 143.009 86 ASP 64.499 -4.315 145.044 87 ASN 62.400 -7.117 143.575 88 TYR 62.677 -7.909 139.877 89 ASN 59.849 -10.470 139.812 90 ASP 57.362 -8.015 141.315 91 GLN 58.584 -4.820 139.699 92 SER 59.196 -5.977 136.124 93 PHE 55.553 -6.052 134.991 94 THR 52.406 -3.962 135.388 95 LYS 48.910 -3.326 134.010 96 TRP 46.680 -0.386 133.117 97 ASN 42.915 -0.249 132.643 98 ILE 42.796 1.612 129.319 99 ASN 40.970 4.958 129.047 100 LEU 41.275 8.457 127.508 101 GLN 40.337 10.172 130.791 102 GLU 43.669 10.556 132.605 103 MET 45.331 13.298 130.546 104 ALA 43.429 16.605 130.399 105 GLN 44.817 17.694 127.028 106 ILE 43.201 15.066 124.816 107 ARG 40.309 14.360 127.193 108 ARG 38.982 17.912 126.849 109 LYS 39.031 17.797 123.050 110 PHE 37.055 14.550 122.827 111 GLU 34.621 15.821 125.452 112 MET 33.531 18.707 123.252 113 PHE 31.257 16.073 121.688 114 THR 28.651 13.770 123.247 115 TYR 29.400 10.708 121.101 116 ALA 32.391 9.898 118.907 117 ARG 33.351 7.013 116.639 118 PHE 36.911 6.431 115.455 119 ASP 39.728 3.969 114.890 120 SER 42.778 4.373 117.091 121 GLU 46.469 4.644 116.322 122 ILE 48.647 3.825 119.325 123 THR 52.334 4.767 119.299 124 MET 54.563 3.905 122.248 125 VAL 57.686 5.749 123.359 126 PRO 59.740 3.637 125.797 127 SER 62.749 5.202 127.526 128 VAL 65.159 3.110 129.584 129 ALA 66.905 4.994 132.388 130 ALA 70.196 3.383 133.427 131 LYS 69.928 3.781 137.210 132 ASP 73.125 1.803 137.842 133 GLY 74.998 2.563 134.629 134 HIS 74.247 -0.125 132.031 135 ILE 70.936 -1.073 130.394 136 GLY 71.913 -4.428 128.891 137 HIS 69.469 -5.768 126.292 138 ILE 65.937 -4.534 126.983 139 VAL 63.061 -6.343 125.264 140 MET 59.508 -5.304 126.210 141 GLN 56.155 -7.055 125.797 142 TYR 52.900 -5.087 125.638 143 MET 49.842 -7.326 125.697 144 TYR 46.324 -6.120 124.996 145 VAL 43.984 -8.035 127.301 146 PRO 40.288 -7.688 126.333 147 PRO 37.771 -7.807 129.206 148 GLY 37.439 -11.403 130.360 149 ALA 40.842 -12.684 129.257 150 PRO 43.090 -13.776 132.157 151 ILE 45.278 -11.016 133.615 152 PRO 48.861 -12.082 134.457 153 THR 49.629 -12.041 138.182 154 THR 53.377 -12.722 137.870 155 ARG 56.095 -11.970 135.301 156 ASP 56.071 -15.624 134.210 157 ASP 52.301 -16.115 134.215 158 TYR 51.038 -18.447 131.456 159 ALA 48.894 -15.548 130.172 160 TRP 52.055 -14.011 128.695 161 GLN 52.024 -16.863 126.129 162 SER 49.614 -14.631 124.181 163 GLY 48.140 -17.607 122.352 164 THR 45.238 -15.419 121.235 165 ASN 45.726 -11.879 122.606 166 ALA 47.694 -9.365 120.576 167 SER 51.166 -8.700 121.977 168 VAL 53.753 -6.251 120.671 169 PHE 57.402 -7.016 121.368 170 TRP 59.849 -4.137 121.214 171 GLN 63.604 -4.344 121.302 172 HIS 65.620 -1.409 122.596 173 GLY 67.243 0.486 119.729 174 GLN 64.472 -0.362 117.263 175 PRO 61.934 2.265 116.154 176 PHE 58.939 3.160 118.324 177 PRO 56.184 0.519 118.207 178 ARG 52.849 1.420 116.605 179 PHE 49.599 -0.337 115.723 180 SER 45.992 0.476 114.902 181 LEU 42.848 -0.596 116.749 182 PRO 39.413 -0.741 115.057 183 PHE 36.430 0.976 116.694 184 LEU 36.073 -1.310 119.765 185 SER 32.613 -0.411 121.245 186 ILE 29.653 -2.837 121.437 187 ALA 27.567 0.228 120.617 188 SER 27.576 2.351 117.443 189 ALA 29.686 5.081 119.043 190 TYR 31.703 5.731 122.185 191 TYR 29.865 7.607 124.931 192 MET 31.818 10.718 125.935 193 PHE 29.036 11.344 128.470 194 TYR 26.424 8.968 129.861 195 ASP 23.528 10.081 132.058 196 GLY 22.837 6.510 133.117 197 TYR 23.512 3.697 135.580 198 ASP 24.280 -0.023 135.443 199 GLY 21.221 -0.661 137.597 200 ASP 18.417 1.017 139.519 201 THR 19.598 0.975 143.148 202 TYR 21.353 3.494 145.403 203 LYS 24.601 1.616 144.841 204 SER 24.491 1.568 141.043 205 ARG 27.456 3.098 139.210 206 TYR 26.882 6.313 137.247 207 GLY 28.548 7.599 134.108 208 THR 30.840 6.344 131.381 209 VAL 32.486 3.751 133.637 210 VAL 29.347 1.701 132.960 211 THR 29.747 1.780 129.179 212 ASN 33.434 2.389 128.423 213 ASP 35.395 -0.745 129.378 214 MET 38.215 -1.237 126.850 215 GLY 40.188 -3.868 128.749 216 THR 43.713 -3.814 130.164 217 LEU 47.209 -3.187 128.797 218 CYS 49.720 -5.483 130.501 219 SER 53.430 -4.686 130.198 220 ARG 56.508 -6.668 131.115 221 ILE 60.252 -6.542 130.668 222 VAL 60.882 -9.760 128.779 223 THR 64.607 -9.740 129.600 224 SER 65.430 -11.756 132.716 225 GLU 66.949 -10.133 135.817 226 GLN 70.072 -8.104 135.059 227 LEU 72.823 -6.897 137.397 228 HIS 72.059 -3.236 136.758 229 LYS 68.658 -1.836 137.648 230 VAL 66.680 0.224 135.175 231 LYS 63.557 2.343 135.184 232 VAL 61.516 1.881 132.017 233 VAL 58.871 4.503 131.345 234 THR 56.606 3.807 128.380 235 ARG 54.481 6.724 127.223 236 ILE 51.375 5.776 125.243 237 TYR 50.220 8.175 122.523 238 HIS 46.786 8.013 120.952 239 LYS 45.478 9.441 117.699 240 ALA 41.930 9.159 116.370 241 LYS 41.572 8.203 112.695 242 HIS 38.461 8.082 110.482 243 THR 36.534 10.135 113.040 244 LYS 32.849 11.036 113.348 245 ALA 31.430 13.081 116.231 246 TRP 27.911 14.025 117.341 247 CYS 26.200 16.653 119.510 248 PRO 28.794 19.323 120.401 249 ARG 28.976 20.625 123.957 250 PRO 30.560 23.363 126.123 251 PRO 34.293 22.818 126.805 252 ARG 35.381 21.734 130.308 253 ALA 35.660 24.982 132.295 254 VAL 37.255 23.634 135.482 255 GLN 40.020 21.149 136.221 256 TYR 39.244 17.446 135.990 257 SER 39.526 15.535 139.243 258 HIS 38.646 11.945 138.358 259 THR 38.229 9.561 135.465 260 HIS 34.786 8.789 134.031 261 THR 33.080 11.575 135.969 262 THR 32.297 15.274 135.586 263 ASN 33.001 15.846 139.309 264 TYR 34.969 18.958 140.191 265 LYS 36.185 20.883 143.201 266 LEU 35.602 24.542 143.993 267 SER 37.661 26.772 146.256 268 SER 36.274 29.618 148.367 269 GLU 37.410 32.013 145.633 270 VAL 35.735 30.570 142.533 271 HIS 37.335 33.060 140.138 272 ASN 40.569 31.108 140.675 273 ASP 38.854 27.923 139.506 274 VAL 37.915 29.193 136.045 275 ALA 39.883 30.852 133.225 276 ILE 37.761 33.994 133.505 277 ARG 39.983 36.933 134.495 278 PRO 38.040 39.375 136.727 279 ARG 37.258 42.719 135.082 280 THR 37.785 45.966 137.000 281 ASN 34.398 47.164 135.731 282 LEU 32.255 47.119 132.569 283 THR 34.154 49.866 130.752 284 THR 37.746 48.822 131.439 285 VAL 39.008 46.924 128.392 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 H H H H H H H H H H 10 H H C S S S S S S S 20 S S S S S/S S S S S/S S 30 S S S S S S S/T T T T/S 40 S S S S C H H H H 3 50 3/S S S S S/S S S S S/S S 60 S S/T T T T H H H H H 70 H H/S S S S S C S S S 80 S S S S C C H H H H 90 H H C S S S S S S S 100 C C C H H H H H H H 110 H H/S S S S/S S S S S S 120 S/S S S S S S S S S S/T 130 T T T/S S S S S/S S S S 140 S S S S S S S C S S 150 S S S C S S S S C C 160 C T T T T/S S S S S S 170 S S S/S S S S/S S S S S 180 S S S/S S S S C S S S 190 S S/S S S S C C S S S 200 S C S S S S S S/T T T 210 T/S S S S/S S S S S S S 220 S S S S S C S S S S 230 S S S S S S S S S S 240 S S/S S S S S/S S S S S 250 S S S S/S S S S S C C 260 C S S S S S S S H H 270 H H 3 3 S S S S S S 280 C S S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 h H H H H H H H H H 10 H h t S S B B 20 S 30 t T T t g G G G g 40 h H H H H 50 h B 60 B g G G G h H H H H 70 H h S E E E E E E 80 E E E e S S h H H H 90 H h E E E E E e S 100 S h H H H H H H H 110 h e E E E E E E E E 120 E E E E E E E E E E 130 e S S e E E 140 E E E E E t T T t 150 S t T T g G G G 160 G g S S S E E E E E 170 E e T t e E E E 180 E S S S S E 190 E e B S S S 200 t T T t B t T T T 210 T t e E E E E E 220 E e S S S e E 230 E E E E E E E E E E 240 E E E E E E E E e 250 S t T T 260 t S g G 270 G G g t S S 280 t T T t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ASN 20.9 17.3 78.9 2 PRO 27.8 22.3 73.7 3 VAL 12.7 10.7 70.8 4 GLU 30.8 22.2 81.7 5 ARG 45.0 21.5 83.9 6 TYR 58.5 32.3 70.1 7 VAL 49.6 41.8 61.1 8 ASP 67.7 61.2 61.5 9 GLU 37.4 27.0 72.4 10 VAL 44.4 37.4 68.4 11 LEU 58.9 39.9 72.3 12 ASN 34.2 28.3 82.0 13 GLU 67.4 48.7 64.1 14 VAL 58.3 49.0 65.9 15 LEU 67.6 45.7 64.6 16 VAL 32.2 27.1 77.4 17 VAL 90.4 76.1 55.2 18 PRO 16.7 13.4 82.9 19 ASN 73.9 61.2 71.9 20 ILE 90.0 62.7 63.5 21 ASN 35.3 29.2 72.4 22 GLN 52.2 35.1 75.1 23 SER 71.2 85.2 65.6 24 HIS 46.2 30.7 77.8 25 PRO 39.0 31.3 78.7 26 THR 18.8 17.6 84.3 27 THR 0.0 0.0 88.2 28 SER 39.3 47.0 76.9 29 ASN 0.0 0.0 89.1 30 ALA 11.0 15.2 83.7 31 ALA 39.4 54.3 57.1 32 PRO 57.1 45.8 70.8 33 VAL 53.6 45.1 56.7 34 LEU 25.6 17.3 78.7 35 ASP 49.1 44.4 77.2 36 ALA 32.2 44.4 73.3 37 ALA 2.4 3.2 91.4 38 GLU 8.4 6.0 81.4 39 THR 44.3 41.5 71.3 40 GLY 0.0 0.0 86.7 41 HIS 23.8 15.8 87.7 42 THR 18.3 17.2 84.1 43 ASN 81.4 67.4 68.2 44 LYS 32.0 18.4 86.0 45 ILE 105.1 73.2 58.5 46 GLN 52.5 35.3 74.4 47 PRO 65.8 52.8 63.0 48 GLU 106.4 76.8 57.7 49 ASP 62.4 56.5 58.3 50 THR 58.5 54.8 57.5 51 ILE 39.0 27.2 78.5 52 GLU 54.3 39.2 71.1 53 THR 95.3 89.2 52.5 54 ARG 30.1 14.4 81.3 55 TYR 81.4 45.0 74.5 56 VAL 51.7 43.5 68.6 57 GLN 35.2 23.7 81.6 58 SER 75.5 90.3 71.4 59 SER 6.5 7.8 87.5 60 GLN 42.7 28.7 72.2 61 THR 87.5 81.9 60.5 62 LEU 71.7 48.5 59.1 63 ASP 92.9 84.1 57.1 64 GLU 21.1 15.2 85.5 65 MET 29.3 18.4 78.7 66 SER 45.8 54.8 69.8 67 VAL 72.3 60.8 54.4 68 GLU 64.1 46.3 74.6 69 SER 61.8 73.9 75.9 70 PHE 96.7 58.0 58.8 71 LEU 146.8 99.3 35.8 72 GLY 29.4 84.4 72.9 73 ARG 81.4 39.0 84.3 74 SER 60.3 72.1 63.7 75 GLY 19.0 54.5 64.5 76 CYS 76.7 77.3 54.0 77 ILE 138.9 96.8 33.0 78 HIS 125.7 83.7 43.0 79 GLU 77.3 55.8 58.9 80 SER 75.7 90.6 53.6 81 VAL 66.0 55.5 63.0 82 LEU 141.4 95.7 50.4 83 ASP 72.1 65.2 54.1 84 ILE 134.0 93.4 45.9 85 VAL 44.4 37.4 80.4 86 ASP 20.0 18.1 78.9 87 ASN 57.9 47.9 82.1 88 TYR 169.2 93.5 53.3 89 ASN 34.4 28.4 78.6 90 ASP 31.2 28.2 76.6 91 GLN 100.3 67.5 69.4 92 SER 83.6 100.0 41.8 93 PHE 136.5 81.8 58.8 94 THR 64.0 59.8 67.8 95 LYS 62.4 36.0 64.7 96 TRP 180.7 88.2 54.9 97 ASN 32.8 27.1 80.7 98 ILE 112.0 78.0 44.2 99 ASN 103.1 85.3 56.2 100 LEU 113.0 76.5 43.7 101 GLN 130.0 87.5 60.8 102 GLU 82.7 59.7 72.4 103 MET 107.3 67.3 68.0 104 ALA 23.2 31.9 65.3 105 GLN 0.0 0.0 84.8 106 ILE 132.3 92.2 46.3 107 ARG 202.2 96.8 59.4 108 ARG 99.7 47.7 71.2 109 LYS 119.4 68.9 53.1 110 PHE 157.9 94.7 33.1 111 GLU 126.0 90.9 60.5 112 MET 101.6 63.8 58.3 113 PHE 139.7 83.8 45.4 114 THR 89.9 84.1 52.7 115 TYR 101.8 56.3 52.1 116 ALA 72.5 99.9 32.2 117 ARG 108.0 51.7 53.3 118 PHE 161.5 96.8 40.8 119 ASP 73.4 66.4 59.0 120 SER 74.0 88.5 51.2 121 GLU 126.4 91.2 60.3 122 ILE 129.7 90.4 38.2 123 THR 89.8 84.0 58.8 124 MET 158.4 99.4 23.6 125 VAL 71.0 59.8 47.6 126 PRO 124.5 100.0 40.4 127 SER 30.5 36.5 75.7 128 VAL 114.9 96.7 32.9 129 ALA 22.2 30.6 71.7 130 ALA 53.6 73.9 67.3 131 LYS 116.4 67.1 67.7 132 ASP 71.7 64.9 60.7 133 GLY 4.0 11.4 74.1 134 HIS 22.3 14.9 79.7 135 ILE 103.3 72.0 56.7 136 GLY 5.8 16.8 77.3 137 HIS 57.1 38.0 75.2 138 ILE 142.9 99.6 36.3 139 VAL 88.5 74.5 53.5 140 MET 158.5 99.4 35.0 141 GLN 148.6 100.0 42.5 142 TYR 179.5 99.2 34.9 143 MET 159.2 99.9 50.2 144 TYR 146.4 80.9 41.6 145 VAL 117.2 98.6 46.5 146 PRO 73.2 58.8 61.4 147 PRO 63.3 50.8 76.0 148 GLY 0.0 0.0 85.6 149 ALA 54.7 75.3 62.0 150 PRO 51.0 41.0 71.4 151 ILE 91.0 63.4 60.8 152 PRO 123.2 98.9 39.6 153 THR 17.4 16.3 80.3 154 THR 34.4 32.2 71.8 155 ARG 192.5 92.1 59.9 156 ASP 26.7 24.1 84.1 157 ASP 86.6 78.4 64.2 158 TYR 44.0 24.3 78.6 159 ALA 64.8 89.2 50.9 160 TRP 201.6 98.3 49.9 161 GLN 27.8 18.7 79.0 162 SER 73.2 87.6 68.5 163 GLY 0.0 0.0 84.6 164 THR 0.0 0.0 91.6 165 ASN 92.9 76.9 50.9 166 ALA 8.5 11.7 78.8 167 SER 80.1 95.9 51.0 168 VAL 78.4 66.0 50.3 169 PHE 79.2 47.5 67.6 170 TRP 186.8 91.1 46.7 171 GLN 69.8 47.0 63.8 172 HIS 88.2 58.7 52.5 173 GLY 1.7 4.9 79.0 174 GLN 52.1 35.1 74.9 175 PRO 19.1 15.3 85.4 176 PHE 64.7 38.8 66.4 177 PRO 110.8 89.0 42.9 178 ARG 89.4 42.8 75.6 179 PHE 112.9 67.7 46.6 180 SER 43.6 52.1 70.0 181 LEU 115.7 78.3 38.1 182 PRO 32.7 26.3 75.6 183 PHE 150.2 90.0 66.0 184 LEU 105.4 71.3 56.7 185 SER 73.7 88.2 46.6 186 ILE 0.0 0.0 91.0 187 ALA 37.5 51.7 74.6 188 SER 3.1 3.7 80.7 189 ALA 60.6 83.5 46.4 190 TYR 157.8 87.2 46.5 191 TYR 117.2 64.8 56.1 192 MET 141.2 88.6 46.1 193 PHE 129.3 77.5 59.3 194 TYR 129.4 71.5 58.6 195 ASP 13.5 12.2 82.2 196 GLY 21.7 62.2 55.1 197 TYR 87.6 48.4 67.4 198 ASP 70.8 64.0 63.9 199 GLY 6.0 17.2 78.4 200 ASP 0.0 0.0 83.6 201 THR 38.1 35.7 76.2 202 TYR 16.0 8.8 79.2 203 LYS 41.8 24.1 81.6 204 SER 74.8 89.5 72.2 205 ARG 86.1 41.2 71.4 206 TYR 81.1 44.8 71.2 207 GLY 26.3 75.6 67.0 208 THR 101.0 94.4 65.7 209 VAL 68.7 57.8 65.1 210 VAL 105.3 88.6 58.9 211 THR 80.3 75.2 53.8 212 ASN 96.4 79.7 61.7 213 ASP 40.5 36.7 75.3 214 MET 126.0 79.1 57.7 215 GLY 32.1 92.4 63.3 216 THR 97.6 91.3 46.5 217 LEU 136.4 92.3 36.1 218 CYS 98.7 99.5 35.0 219 SER 80.3 96.0 43.3 220 ARG 171.8 82.3 52.2 221 ILE 143.1 99.7 37.7 222 VAL 81.9 68.9 60.2 223 THR 80.7 75.5 66.6 224 SER 7.2 8.6 83.6 225 GLU 39.2 28.3 70.6 226 GLN 108.8 73.2 66.5 227 LEU 11.4 7.7 84.3 228 HIS 100.0 66.6 67.8 229 LYS 92.2 53.1 72.8 230 VAL 114.7 96.6 44.3 231 LYS 96.5 55.7 57.3 232 VAL 118.5 99.7 37.0 233 VAL 98.8 83.2 56.7 234 THR 103.9 97.2 40.9 235 ARG 124.7 59.7 64.2 236 ILE 139.3 97.0 29.1 237 TYR 127.1 70.2 55.4 238 HIS 142.7 95.0 39.5 239 LYS 118.2 68.2 69.3 240 ALA 72.6 100.0 44.3 241 LYS 124.2 71.6 66.5 242 HIS 43.0 28.6 78.4 243 THR 106.9 100.0 46.3 244 LYS 39.8 22.9 72.2 245 ALA 72.0 99.2 34.1 246 TRP 102.1 49.8 58.6 247 CYS 32.5 32.8 62.3 248 PRO 32.1 25.8 74.5 249 ARG 128.5 61.5 59.3 250 PRO 20.0 16.0 73.3 251 PRO 73.0 58.6 65.8 252 ARG 176.5 84.5 56.9 253 ALA 16.5 22.7 75.8 254 VAL 96.8 81.5 54.1 255 GLN 0.0 0.0 89.9 256 TYR 163.6 90.4 58.0 257 SER 63.3 75.7 58.5 258 HIS 31.9 21.2 80.8 259 THR 62.9 58.9 64.2 260 HIS 121.9 81.1 58.9 261 THR 69.4 64.9 74.3 262 THR 32.4 30.4 76.1 263 ASN 30.7 25.4 78.3 264 TYR 83.5 46.2 68.7 265 LYS 15.2 8.8 81.1 266 LEU 82.2 55.6 60.8 267 SER 35.9 42.9 80.2 268 SER 0.0 0.0 83.3 269 GLU 39.5 28.5 87.5 270 VAL 36.7 30.9 74.0 271 HIS 69.7 46.4 64.5 272 ASN 51.8 42.8 79.3 273 ASP 84.1 76.1 61.8 274 VAL 83.2 70.0 58.5 275 ALA 0.0 0.0 86.4 276 ILE 17.2 12.0 79.2 277 ARG 4.3 2.0 87.8 278 PRO 51.8 41.6 69.8 279 ARG 96.7 46.3 78.0 280 THR 20.5 19.2 79.7 281 ASN 46.9 38.8 78.4 282 LEU 7.4 5.0 85.8 283 THR 4.7 4.4 85.5 284 THR 45.6 42.7 81.1 285 VAL 0.0 0.0 87.8