| Chain sequence(s) |
A: QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSK
C: SVPTKLEVVAATPTSLLISWDPAVTVVHYVITYGETGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAIDFYWGSYSPISINYRT B: QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSS D: SVTKLLLISWDAPATVVHYVITEFTVPGSKSTATISTVYAIDFYWGSYSPIS input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:23)
[INFO] Main: Simulation completed successfully. (00:10:28)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 127 | Q | A | -1.0646 | |
| 128 | W | A | -0.4313 | |
| 129 | A | A | -0.5284 | |
| 130 | L | A | -0.5083 | |
| 131 | E | A | -2.0308 | |
| 132 | D | A | -2.2055 | |
| 133 | F | A | 0.0000 | |
| 134 | E | A | -2.2126 | |
| 135 | I | A | -0.5365 | |
| 136 | G | A | -1.0397 | |
| 137 | R | A | -1.5889 | |
| 138 | P | A | -0.9403 | |
| 139 | L | A | -0.3909 | |
| 140 | G | A | -1.1033 | |
| 141 | K | A | -2.2712 | |
| 142 | G | A | -1.9740 | |
| 143 | K | A | -2.3546 | |
| 144 | F | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.0579 | |
| 147 | V | A | -0.4097 | |
| 148 | Y | A | -0.3553 | |
| 149 | L | A | -0.0162 | |
| 150 | A | A | 0.0000 | |
| 151 | R | A | -0.8834 | |
| 152 | E | A | 0.0000 | |
| 153 | K | A | -3.0930 | |
| 154 | Q | A | -2.2377 | |
| 155 | S | A | -1.2828 | |
| 156 | K | A | -1.8040 | |
| 157 | F | A | 1.0197 | |
| 158 | I | A | 1.1897 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | -0.3563 | |
| 163 | V | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | F | A | -0.3616 | |
| 166 | K | A | -1.0619 | |
| 167 | A | A | -1.1974 | |
| 168 | Q | A | -1.8735 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -3.0049 | |
| 171 | K | A | -3.0995 | |
| 172 | A | A | 0.0000 | |
| 173 | G | A | -2.0325 | |
| 174 | V | A | 0.0000 | |
| 175 | E | A | -1.4742 | |
| 176 | H | A | -1.2045 | |
| 177 | Q | A | -1.1704 | |
| 178 | L | A | 0.0000 | |
| 179 | R | A | 0.0000 | |
| 180 | R | A | -0.8170 | |
| 181 | E | A | -0.5058 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | Q | A | -0.8145 | |
| 186 | S | A | -0.8841 | |
| 187 | H | A | -1.6741 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -2.2414 | |
| 190 | H | A | -1.3220 | |
| 191 | P | A | -0.9273 | |
| 192 | N | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | R | A | -0.9249 | |
| 196 | L | A | 0.0000 | |
| 197 | Y | A | 0.1997 | |
| 198 | G | A | 0.2262 | |
| 199 | Y | A | 0.2082 | |
| 200 | F | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | D | A | -0.6066 | |
| 203 | A | A | -0.4547 | |
| 204 | T | A | -0.5144 | |
| 205 | R | A | -0.7826 | |
| 206 | V | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | 0.3016 | |
| 211 | E | A | 0.1007 | |
| 212 | Y | A | 0.7978 | |
| 213 | A | A | 0.3714 | |
| 214 | P | A | 0.5503 | |
| 215 | L | A | 0.9006 | |
| 216 | G | A | 0.0990 | |
| 217 | T | A | -0.5236 | |
| 218 | V | A | 0.0000 | |
| 219 | Y | A | -1.1995 | |
| 220 | R | A | -2.5138 | |
| 221 | E | A | -1.8589 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -2.5083 | |
| 224 | K | A | -2.5558 | |
| 225 | L | A | -1.0206 | |
| 226 | S | A | -1.1006 | |
| 227 | K | A | -1.6427 | |
| 228 | F | A | 0.0000 | |
| 229 | D | A | -2.7763 | |
| 230 | E | A | -2.2655 | |
| 231 | Q | A | -2.3919 | |
| 232 | R | A | -2.0241 | |
| 233 | T | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | T | A | -1.3878 | |
| 236 | Y | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | E | A | -0.7824 | |
| 240 | L | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | N | A | -0.6922 | |
| 243 | A | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | S | A | -0.6164 | |
| 246 | Y | A | -0.6408 | |
| 247 | C | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | S | A | -1.2596 | |
| 250 | K | A | -2.1704 | |
| 251 | R | A | -2.6354 | |
| 252 | V | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | H | A | -1.0726 | |
| 255 | R | A | -1.0160 | |
| 256 | D | A | -1.4413 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | 0.0000 | |
| 259 | P | A | 0.0000 | |
| 260 | E | A | -1.5300 | |
| 261 | N | A | -0.8724 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | -0.0645 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | S | A | -0.0227 | |
| 267 | A | A | -0.1044 | |
| 268 | G | A | -0.2205 | |
| 269 | E | A | -0.4904 | |
| 270 | L | A | 0.0000 | |
| 271 | K | A | -0.4234 | |
| 272 | I | A | 0.0000 | |
| 273 | A | A | -0.4380 | |
| 274 | D | A | -0.3686 | |
| 275 | F | A | 0.5706 | |
| 291 | G | A | -0.8561 | |
| 292 | T | A | -0.5628 | |
| 293 | L | A | 0.0000 | |
| 294 | D | A | -0.7821 | |
| 295 | Y | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | E | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -1.0226 | |
| 303 | G | A | 0.0000 | |
| 304 | R | A | -1.7505 | |
| 305 | M | A | -1.1525 | |
| 306 | H | A | -0.9692 | |
| 307 | D | A | -1.4976 | |
| 308 | E | A | -1.3211 | |
| 309 | K | A | -0.9183 | |
| 310 | V | A | 0.0000 | |
| 311 | D | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | W | A | 0.0000 | |
| 314 | S | A | -0.3089 | |
| 315 | L | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | V | A | -0.2053 | |
| 325 | G | A | -1.1496 | |
| 326 | K | A | -1.7814 | |
| 327 | P | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | E | A | -2.0207 | |
| 331 | A | A | -1.7954 | |
| 332 | N | A | -1.7584 | |
| 333 | T | A | -1.4209 | |
| 334 | Y | A | 0.0000 | |
| 335 | Q | A | -2.1835 | |
| 336 | E | A | -2.8218 | |
| 337 | T | A | 0.0000 | |
| 338 | Y | A | -1.8996 | |
| 339 | K | A | -2.9892 | |
| 340 | R | A | -2.7936 | |
| 341 | I | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | R | A | -2.8701 | |
| 344 | V | A | -1.9794 | |
| 345 | E | A | -2.5419 | |
| 346 | F | A | -0.8708 | |
| 347 | T | A | -0.3826 | |
| 348 | F | A | -0.1036 | |
| 349 | P | A | -0.2528 | |
| 350 | D | A | -0.9295 | |
| 351 | F | A | 0.7006 | |
| 352 | V | A | 0.0000 | |
| 353 | T | A | -1.2073 | |
| 354 | E | A | -2.2832 | |
| 355 | G | A | -1.8042 | |
| 356 | A | A | 0.0000 | |
| 357 | R | A | -2.0487 | |
| 358 | D | A | -2.6333 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | S | A | -1.1890 | |
| 362 | R | A | -1.7471 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | -1.7736 | |
| 366 | H | A | -1.8124 | |
| 367 | N | A | -1.6973 | |
| 368 | P | A | -1.4786 | |
| 369 | S | A | -1.2033 | |
| 370 | Q | A | -1.7996 | |
| 371 | R | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | M | A | -0.6098 | |
| 374 | L | A | 0.0000 | |
| 375 | R | A | -2.8494 | |
| 376 | E | A | -2.9608 | |
| 377 | V | A | 0.0000 | |
| 378 | L | A | -2.1450 | |
| 379 | E | A | -2.9095 | |
| 380 | H | A | -2.0373 | |
| 381 | P | A | -1.1550 | |
| 382 | W | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | T | A | -1.0722 | |
| 385 | A | A | -0.6716 | |
| 386 | N | A | -1.4150 | |
| 387 | S | A | -1.2645 | |
| 388 | S | A | -1.4037 | |
| 389 | K | A | -1.9008 | |
| 127 | Q | B | -1.0363 | |
| 128 | W | B | -0.4299 | |
| 129 | A | B | -0.5867 | |
| 130 | L | B | -0.6288 | |
| 131 | E | B | -2.2157 | |
| 132 | D | B | -2.5271 | |
| 133 | F | B | 0.0000 | |
| 134 | E | B | -2.5990 | |
| 135 | I | B | -0.5747 | |
| 136 | G | B | -0.8273 | |
| 137 | R | B | -1.4691 | |
| 138 | P | B | -0.8906 | |
| 139 | L | B | -0.2719 | |
| 140 | G | B | -1.0358 | |
| 141 | K | B | -2.2709 | |
| 142 | G | B | -2.0983 | |
| 143 | K | B | -2.6634 | |
| 144 | F | B | -1.0481 | |
| 145 | G | B | -1.0975 | |
| 146 | N | B | -1.1611 | |
| 147 | V | B | -0.3962 | |
| 148 | Y | B | -0.3804 | |
| 149 | L | B | -0.2475 | |
| 150 | A | B | 0.0000 | |
| 151 | R | B | -1.9924 | |
| 152 | E | B | -2.5128 | |
| 153 | K | B | -3.5309 | |
| 154 | Q | B | -2.7800 | |
| 155 | S | B | -1.7880 | |
| 156 | K | B | -2.4368 | |
| 157 | F | B | -0.1866 | |
| 158 | I | B | 0.3277 | |
| 159 | L | B | 0.0000 | |
| 160 | A | B | 0.0000 | |
| 161 | L | B | 0.0000 | |
| 162 | K | B | -0.4219 | |
| 163 | V | B | 0.0000 | |
| 164 | L | B | 0.0000 | |
| 165 | F | B | -0.0772 | |
| 166 | K | B | 0.0000 | |
| 167 | A | B | -0.6369 | |
| 168 | Q | B | -1.3141 | |
| 169 | L | B | 0.0000 | |
| 170 | E | B | -2.1006 | |
| 171 | K | B | -2.2594 | |
| 172 | A | B | -1.5998 | |
| 173 | G | B | -1.3420 | |
| 174 | V | B | -0.7753 | |
| 175 | E | B | 0.0000 | |
| 176 | H | B | -0.9060 | |
| 177 | Q | B | -0.8565 | |
| 178 | L | B | 0.0000 | |
| 179 | R | B | -0.6022 | |
| 180 | R | B | -0.9412 | |
| 181 | E | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | E | B | -1.3072 | |
| 184 | I | B | 0.0000 | |
| 185 | Q | B | 0.0000 | |
| 186 | S | B | -1.4042 | |
| 187 | H | B | -1.7916 | |
| 188 | L | B | 0.0000 | |
| 189 | R | B | -2.5100 | |
| 190 | H | B | -1.4976 | |
| 191 | P | B | -1.2003 | |
| 192 | N | B | -1.0214 | |
| 193 | I | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | R | B | -2.0441 | |
| 196 | L | B | 0.0000 | |
| 197 | Y | B | 0.0552 | |
| 198 | G | B | -0.0472 | |
| 199 | Y | B | 0.3013 | |
| 200 | F | B | 0.0000 | |
| 201 | H | B | -0.3998 | |
| 202 | D | B | -0.8541 | |
| 203 | A | B | -0.4589 | |
| 204 | T | B | -0.3643 | |
| 205 | R | B | -0.7861 | |
| 206 | V | B | 0.0000 | |
| 207 | Y | B | 0.0000 | |
| 208 | L | B | 0.0000 | |
| 209 | I | B | 0.0000 | |
| 210 | L | B | 0.0000 | |
| 211 | E | B | -0.4691 | |
| 212 | Y | B | 0.3222 | |
| 213 | A | B | 0.3245 | |
| 214 | P | B | 0.5359 | |
| 215 | L | B | 0.8503 | |
| 216 | G | B | 0.1841 | |
| 217 | T | B | -0.3714 | |
| 218 | V | B | 0.0000 | |
| 219 | Y | B | -1.1269 | |
| 220 | R | B | -2.0649 | |
| 221 | E | B | -1.7169 | |
| 222 | L | B | 0.0000 | |
| 223 | Q | B | -2.6176 | |
| 224 | K | B | -2.3684 | |
| 225 | L | B | -1.0315 | |
| 226 | S | B | -1.5823 | |
| 227 | K | B | -2.2867 | |
| 228 | F | B | 0.0000 | |
| 229 | D | B | -2.6836 | |
| 230 | E | B | -2.2058 | |
| 231 | Q | B | -2.2913 | |
| 232 | R | B | -1.9384 | |
| 233 | T | B | 0.0000 | |
| 234 | A | B | 0.0000 | |
| 235 | T | B | -0.7828 | |
| 236 | Y | B | 0.0000 | |
| 237 | I | B | 0.0000 | |
| 238 | T | B | -0.7138 | |
| 239 | E | B | -0.5915 | |
| 240 | L | B | 0.0000 | |
| 241 | A | B | 0.0000 | |
| 242 | N | B | -0.7224 | |
| 243 | A | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | S | B | -0.7488 | |
| 246 | Y | B | -0.6877 | |
| 247 | C | B | 0.0000 | |
| 248 | H | B | 0.0000 | |
| 249 | S | B | -1.1280 | |
| 250 | K | B | -2.0895 | |
| 251 | R | B | -2.3869 | |
| 252 | V | B | 0.0000 | |
| 253 | I | B | 0.0000 | |
| 254 | H | B | -0.8148 | |
| 255 | R | B | 0.0000 | |
| 256 | D | B | -0.4466 | |
| 257 | I | B | 0.0000 | |
| 258 | K | B | -0.5991 | |
| 259 | P | B | 0.0000 | |
| 260 | E | B | -1.1289 | |
| 261 | N | B | -0.5377 | |
| 262 | L | B | 0.0000 | |
| 263 | L | B | -0.0384 | |
| 264 | L | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | S | B | -0.0220 | |
| 267 | A | B | -0.0859 | |
| 268 | G | B | -0.1911 | |
| 269 | E | B | -0.5220 | |
| 270 | L | B | 0.0000 | |
| 271 | K | B | -0.7152 | |
| 272 | I | B | 0.0000 | |
| 273 | A | B | 0.0000 | |
| 274 | D | B | -0.1675 | |
| 275 | F | B | 0.2386 | |
| 291 | G | B | -0.6787 | |
| 292 | T | B | -0.4850 | |
| 293 | L | B | 0.0000 | |
| 294 | D | B | -0.8014 | |
| 295 | Y | B | 0.0000 | |
| 296 | L | B | 0.0159 | |
| 297 | P | B | 0.0000 | |
| 298 | P | B | 0.0000 | |
| 299 | E | B | 0.0000 | |
| 300 | M | B | -0.1061 | |
| 301 | I | B | 0.0000 | |
| 302 | E | B | -0.7853 | |
| 303 | G | B | 0.0000 | |
| 304 | R | B | -1.3383 | |
| 305 | M | B | -0.9930 | |
| 306 | H | B | -0.7942 | |
| 307 | D | B | -1.2547 | |
| 308 | E | B | -1.1524 | |
| 309 | K | B | -0.9146 | |
| 310 | V | B | 0.0000 | |
| 311 | D | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | W | B | 0.0000 | |
| 314 | S | B | 0.0000 | |
| 315 | L | B | 0.0000 | |
| 316 | G | B | 0.0000 | |
| 317 | V | B | 0.0000 | |
| 318 | L | B | 0.0000 | |
| 319 | C | B | 0.0000 | |
| 320 | Y | B | 0.0000 | |
| 321 | E | B | 0.0000 | |
| 322 | F | B | 0.0000 | |
| 323 | L | B | 0.0000 | |
| 324 | V | B | -0.7506 | |
| 325 | G | B | -1.3649 | |
| 326 | K | B | -2.0386 | |
| 327 | P | B | 0.0000 | |
| 328 | P | B | 0.0000 | |
| 329 | F | B | 0.0000 | |
| 330 | E | B | -1.7643 | |
| 331 | A | B | -1.4937 | |
| 332 | N | B | -1.3360 | |
| 333 | T | B | -1.0431 | |
| 334 | Y | B | 0.0000 | |
| 335 | Q | B | -1.4512 | |
| 336 | E | B | -2.2684 | |
| 337 | T | B | 0.0000 | |
| 338 | Y | B | 0.0000 | |
| 339 | K | B | -2.5133 | |
| 340 | R | B | -2.4580 | |
| 341 | I | B | 0.0000 | |
| 342 | S | B | -1.6905 | |
| 343 | R | B | -2.5634 | |
| 344 | V | B | -1.4308 | |
| 345 | E | B | -1.6720 | |
| 346 | F | B | -0.3993 | |
| 347 | T | B | -0.1430 | |
| 348 | F | B | 0.0719 | |
| 349 | P | B | -0.2800 | |
| 350 | D | B | -1.1275 | |
| 351 | F | B | 0.5779 | |
| 352 | V | B | 0.0000 | |
| 353 | T | B | -1.0899 | |
| 354 | E | B | -2.2633 | |
| 355 | G | B | -1.4629 | |
| 356 | A | B | 0.0000 | |
| 357 | R | B | -1.7550 | |
| 358 | D | B | -1.8311 | |
| 359 | L | B | 0.0000 | |
| 360 | I | B | 0.0000 | |
| 361 | S | B | -1.1086 | |
| 362 | R | B | -1.7481 | |
| 363 | L | B | 0.0000 | |
| 364 | L | B | 0.0000 | |
| 365 | K | B | -1.6851 | |
| 366 | H | B | -1.5616 | |
| 367 | N | B | -1.6381 | |
| 368 | P | B | -1.4024 | |
| 369 | S | B | -1.2675 | |
| 370 | Q | B | -1.9177 | |
| 371 | R | B | 0.0000 | |
| 372 | P | B | -1.3068 | |
| 373 | M | B | -1.0599 | |
| 374 | L | B | 0.0000 | |
| 375 | R | B | -3.0919 | |
| 376 | E | B | -3.2149 | |
| 377 | V | B | 0.0000 | |
| 378 | L | B | -2.0428 | |
| 379 | E | B | -2.9400 | |
| 380 | H | B | 0.0000 | |
| 381 | P | B | -1.0020 | |
| 382 | W | B | 0.0000 | |
| 383 | I | B | 0.0000 | |
| 384 | T | B | -0.7664 | |
| 385 | A | B | -0.6003 | |
| 386 | N | B | -1.1269 | |
| 387 | S | B | -0.7782 | |
| 388 | S | B | -0.5860 | |
| 5 | S | C | -0.5976 | |
| 6 | V | C | 0.0000 | |
| 7 | P | C | 0.0000 | |
| 8 | T | C | -1.3550 | |
| 9 | K | C | -2.6366 | |
| 10 | L | C | -1.6170 | |
| 11 | E | C | -1.6916 | |
| 12 | V | C | 0.4115 | |
| 13 | V | C | 1.6192 | |
| 14 | A | C | 0.9265 | |
| 15 | A | C | 0.6276 | |
| 16 | T | C | -0.1562 | |
| 17 | P | C | -0.7757 | |
| 18 | T | C | -0.8818 | |
| 19 | S | C | -0.5048 | |
| 20 | L | C | 0.0000 | |
| 21 | L | C | 0.8020 | |
| 22 | I | C | 0.0000 | |
| 23 | S | C | -0.8768 | |
| 24 | W | C | 0.0000 | |
| 25 | D | C | -2.6533 | |
| 27 | P | C | -0.7023 | |
| 28 | A | C | -0.0583 | |
| 29 | V | C | 0.0989 | |
| 30 | T | C | 0.0477 | |
| 31 | V | C | 0.1972 | |
| 32 | V | C | -0.0214 | |
| 33 | H | C | -0.4473 | |
| 34 | Y | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | I | C | 0.0000 | |
| 37 | T | C | -0.4734 | |
| 38 | Y | C | -0.5154 | |
| 39 | G | C | -1.1696 | |
| 40 | E | C | -2.5093 | |
| 41 | T | C | -1.7740 | |
| 42 | G | C | -1.4338 | |
| 44 | N | C | -1.6996 | |
| 45 | S | C | -1.0501 | |
| 46 | P | C | -0.4438 | |
| 47 | V | C | 0.1738 | |
| 48 | Q | C | -1.0508 | |
| 49 | E | C | -1.6591 | |
| 50 | F | C | -0.5686 | |
| 51 | T | C | -0.2474 | |
| 52 | V | C | 0.0000 | |
| 53 | P | C | -0.9106 | |
| 54 | G | C | -0.8428 | |
| 55 | S | C | -1.1078 | |
| 56 | K | C | -1.9396 | |
| 57 | S | C | -1.4982 | |
| 58 | T | C | -0.7513 | |
| 59 | A | C | 0.0000 | |
| 60 | T | C | 0.0758 | |
| 61 | I | C | 0.0000 | |
| 62 | S | C | -0.6234 | |
| 63 | G | C | -0.9472 | |
| 64 | L | C | -1.3177 | |
| 65 | K | C | -2.4578 | |
| 66 | P | C | -1.7407 | |
| 67 | G | C | -1.4672 | |
| 68 | V | C | 0.0000 | |
| 69 | D | C | -2.2456 | |
| 70 | Y | C | -1.8718 | |
| 71 | T | C | -1.0063 | |
| 72 | I | C | 0.0000 | |
| 73 | T | C | -0.2162 | |
| 74 | V | C | 0.0000 | |
| 75 | Y | C | 0.1229 | |
| 76 | A | C | 0.0000 | |
| 77 | I | C | 0.1793 | |
| 78 | D | C | 0.0000 | |
| 79 | F | C | -0.0969 | |
| 80 | Y | C | -0.0771 | |
| 81 | W | C | 0.0000 | |
| 82 | G | C | -0.2116 | |
| 83 | S | C | -0.1471 | |
| 84 | Y | C | 0.0000 | |
| 85 | S | C | -0.3847 | |
| 86 | P | C | -0.1958 | |
| 87 | I | C | -0.0748 | |
| 88 | S | C | -0.5011 | |
| 89 | I | C | -0.6043 | |
| 90 | N | C | -1.8048 | |
| 91 | Y | C | -1.4963 | |
| 92 | R | C | -2.6130 | |
| 93 | T | C | -1.6821 | |
| 5 | S | D | -0.0259 | |
| 6 | V | D | -0.0200 | |
| 8 | T | D | -0.6161 | |
| 9 | K | D | -1.2137 | |
| 10 | L | D | 0.8363 | |
| 20 | L | D | 2.4644 | |
| 21 | L | D | 2.5382 | |
| 22 | I | D | 1.4963 | |
| 23 | S | D | -0.1355 | |
| 24 | W | D | 0.0000 | |
| 25 | D | D | -2.3289 | |
| 26 | A | D | -1.4085 | |
| 27 | P | D | -0.7210 | |
| 28 | A | D | -0.4188 | |
| 30 | T | D | -0.0177 | |
| 31 | V | D | 0.0000 | |
| 32 | V | D | 0.2321 | |
| 33 | H | D | -0.1705 | |
| 34 | Y | D | 0.0000 | |
| 35 | V | D | 0.5042 | |
| 36 | I | D | 0.0000 | |
| 37 | T | D | -0.3132 | |
| 49 | E | D | -1.1765 | |
| 50 | F | D | 0.5010 | |
| 51 | T | D | 0.3572 | |
| 52 | V | D | 0.0586 | |
| 53 | P | D | -0.6301 | |
| 54 | G | D | -0.7327 | |
| 55 | S | D | -1.1141 | |
| 56 | K | D | -2.1990 | |
| 57 | S | D | -1.6605 | |
| 58 | T | D | -0.5195 | |
| 59 | A | D | 0.0000 | |
| 60 | T | D | 1.3757 | |
| 61 | I | D | 1.4039 | |
| 62 | S | D | 0.5069 | |
| 73 | T | D | 0.5051 | |
| 74 | V | D | 0.9229 | |
| 75 | Y | D | 0.7988 | |
| 76 | A | D | 0.0000 | |
| 77 | I | D | 0.3759 | |
| 78 | D | D | 0.1629 | |
| 79 | F | D | 0.2447 | |
| 80 | Y | D | 0.0490 | |
| 81 | W | D | 0.0000 | |
| 82 | G | D | -0.0953 | |
| 83 | S | D | 0.0125 | |
| 84 | Y | D | 0.0000 | |
| 85 | S | D | 0.1592 | |
| 86 | P | D | 0.6734 | |
| 87 | I | D | 1.5181 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine