| Chain sequence(s) |
A: VPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:03)
[INFO] Main: Simulation completed successfully. (00:00:06)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 118 | V | A | 1.8047 | |
| 119 | P | A | 0.8756 | |
| 120 | W | A | 1.0510 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | R | A | -1.8712 | |
| 124 | T | A | -1.8866 | |
| 125 | I | A | 0.0000 | |
| 126 | Q | A | -2.3449 | |
| 127 | E | A | -2.2776 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.1800 | |
| 130 | R | A | -3.0056 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | -1.0462 | |
| 133 | N | A | -1.8919 | |
| 134 | Q | A | -1.4712 | |
| 135 | I | A | 0.9722 | |
| 136 | L | A | 2.0628 | |
| 137 | S | A | 1.1717 | |
| 138 | Y | A | 1.7422 | |
| 139 | G | A | 0.9936 | |
| 140 | A | A | -0.0851 | |
| 141 | E | A | -0.9091 | |
| 142 | L | A | -0.3753 | |
| 143 | D | A | -1.8312 | |
| 144 | A | A | -1.6086 | |
| 145 | D | A | -2.3101 | |
| 146 | H | A | 0.0000 | |
| 147 | P | A | -1.1813 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | -0.9879 | |
| 150 | K | A | -1.8772 | |
| 151 | D | A | -0.8541 | |
| 152 | P | A | -0.1812 | |
| 153 | V | A | 1.1157 | |
| 154 | Y | A | 0.0000 | |
| 155 | R | A | -0.9488 | |
| 156 | A | A | -0.7568 | |
| 157 | R | A | -0.9416 | |
| 158 | R | A | 0.0000 | |
| 159 | K | A | -2.5754 | |
| 160 | Q | A | -2.0125 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | -1.0711 | |
| 163 | D | A | -1.2688 | |
| 164 | I | A | -0.8127 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | 0.0782 | |
| 167 | N | A | -1.0006 | |
| 168 | Y | A | 0.0000 | |
| 169 | R | A | -2.0372 | |
| 170 | H | A | -1.6187 | |
| 171 | G | A | -1.4434 | |
| 172 | Q | A | -1.5690 | |
| 173 | P | A | -1.4678 | |
| 174 | I | A | 0.0000 | |
| 175 | P | A | -1.3837 | |
| 176 | R | A | -2.4060 | |
| 177 | V | A | -1.6060 | |
| 178 | E | A | -2.3268 | |
| 179 | Y | A | 0.0000 | |
| 180 | M | A | -1.7851 | |
| 181 | E | A | -3.5867 | |
| 182 | E | A | -3.4476 | |
| 183 | E | A | 0.0000 | |
| 184 | K | A | -3.3977 | |
| 185 | K | A | -3.6198 | |
| 186 | T | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | G | A | -2.4469 | |
| 189 | T | A | -1.3258 | |
| 190 | V | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | K | A | -2.4039 | |
| 193 | T | A | -0.9410 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -1.7071 | |
| 196 | S | A | -1.2287 | |
| 197 | L | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | K | A | -1.9471 | |
| 200 | T | A | -1.0065 | |
| 201 | H | A | -0.5790 | |
| 202 | A | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | Y | A | 0.3316 | |
| 205 | E | A | -0.4970 | |
| 206 | Y | A | 0.0000 | |
| 207 | N | A | -0.9802 | |
| 208 | H | A | -1.1209 | |
| 209 | I | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.7053 | |
| 212 | L | A | -0.1508 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.1937 | |
| 215 | K | A | -1.3081 | |
| 216 | Y | A | 0.3668 | |
| 217 | C | A | 0.0000 | |
| 218 | G | A | -1.0921 | |
| 219 | F | A | 0.0000 | |
| 220 | H | A | -2.3510 | |
| 221 | E | A | -2.7884 | |
| 222 | D | A | -3.4334 | |
| 223 | N | A | -2.5116 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | Q | A | -1.2650 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -1.4141 | |
| 229 | D | A | -1.1328 | |
| 230 | V | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | Q | A | -1.3681 | |
| 233 | F | A | -0.2785 | |
| 234 | L | A | 0.0000 | |
| 235 | Q | A | -0.8556 | |
| 236 | T | A | -0.3716 | |
| 237 | C | A | -0.4533 | |
| 238 | T | A | -0.8357 | |
| 239 | G | A | -0.8363 | |
| 240 | F | A | 0.0000 | |
| 241 | R | A | -0.7557 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | V | A | 0.7098 | |
| 246 | A | A | 0.3704 | |
| 247 | G | A | 1.1461 | |
| 248 | L | A | 2.0747 | |
| 249 | L | A | 0.8793 | |
| 250 | S | A | 0.2737 | |
| 251 | S | A | -0.5896 | |
| 252 | R | A | -0.9410 | |
| 253 | D | A | -0.4396 | |
| 254 | F | A | 0.3071 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | R | A | -0.6107 | |
| 262 | V | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | H | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | H | A | -0.7967 | |
| 272 | G | A | -1.5569 | |
| 273 | S | A | -1.0079 | |
| 274 | K | A | -0.8670 | |
| 275 | P | A | -0.3442 | |
| 276 | M | A | 0.9729 | |
| 277 | Y | A | 1.0143 | |
| 278 | T | A | 0.2851 | |
| 279 | P | A | -0.0479 | |
| 280 | E | A | 0.1293 | |
| 281 | P | A | -0.0645 | |
| 282 | D | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | H | A | -0.1655 | |
| 286 | E | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | -0.7659 | |
| 296 | D | A | -1.4615 | |
| 297 | R | A | -2.2688 | |
| 298 | S | A | -1.6732 | |
| 299 | F | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | Q | A | -1.2418 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | Q | A | -0.3615 | |
| 305 | E | A | -1.0078 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | L | A | -0.3424 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | P | A | -1.4775 | |
| 315 | D | A | -3.2297 | |
| 316 | E | A | -3.3001 | |
| 317 | Y | A | -2.1268 | |
| 318 | I | A | 0.0000 | |
| 319 | E | A | -2.7856 | |
| 320 | K | A | -1.6582 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | -0.7552 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | W | A | 0.2774 | |
| 327 | F | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -0.1491 | |
| 331 | F | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | K | A | -2.2392 | |
| 336 | Q | A | -1.6086 | |
| 337 | G | A | -1.9412 | |
| 338 | D | A | -2.3040 | |
| 339 | S | A | -1.3515 | |
| 340 | I | A | -0.6494 | |
| 341 | K | A | -0.1383 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | 0.0569 | |
| 350 | S | A | 0.5889 | |
| 351 | F | A | 0.6223 | |
| 352 | G | A | 0.2880 | |
| 353 | E | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.3776 | |
| 356 | Y | A | -0.4158 | |
| 357 | C | A | 0.0000 | |
| 358 | L | A | -0.2898 | |
| 359 | S | A | -1.5841 | |
| 360 | E | A | -2.7992 | |
| 361 | K | A | -2.8643 | |
| 362 | P | A | 0.0000 | |
| 363 | K | A | -2.0232 | |
| 364 | L | A | -0.3933 | |
| 365 | L | A | 0.1608 | |
| 366 | P | A | -0.7207 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -2.2835 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -2.7217 | |
| 371 | K | A | -2.4862 | |
| 372 | T | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | I | A | 0.2862 | |
| 375 | Q | A | -0.6787 | |
| 376 | N | A | -0.7620 | |
| 377 | Y | A | 0.2394 | |
| 378 | T | A | 0.4916 | |
| 379 | V | A | 1.5231 | |
| 380 | T | A | 0.2079 | |
| 381 | E | A | -0.7523 | |
| 382 | F | A | 0.6806 | |
| 383 | Q | A | 0.0000 | |
| 384 | P | A | -0.7130 | |
| 385 | L | A | -0.5105 | |
| 386 | Y | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | E | A | -2.2479 | |
| 391 | S | A | -1.7508 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -2.5029 | |
| 394 | D | A | -2.3307 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | -2.2443 | |
| 397 | E | A | -2.8860 | |
| 398 | K | A | -2.7359 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | -2.5610 | |
| 401 | N | A | -2.3861 | |
| 402 | F | A | 0.0000 | |
| 403 | A | A | -1.0938 | |
| 404 | A | A | -0.7871 | |
| 405 | T | A | -0.5314 | |
| 406 | I | A | 0.0000 | |
| 407 | P | A | -0.2176 | |
| 408 | R | A | -0.1359 | |
| 409 | P | A | 0.1931 | |
| 410 | F | A | 0.6066 | |
| 411 | S | A | 0.2383 | |
| 412 | V | A | -0.2720 | |
| 413 | R | A | -1.4825 | |
| 414 | Y | A | -1.2754 | |
| 415 | D | A | -0.8334 | |
| 416 | P | A | -0.3291 | |
| 417 | Y | A | 0.8196 | |
| 418 | T | A | -0.0815 | |
| 419 | Q | A | -1.1441 | |
| 420 | R | A | -2.1876 | |
| 421 | I | A | 0.0000 | |
| 422 | E | A | -1.1107 | |
| 423 | V | A | 0.2977 | |
| 424 | L | A | 1.4424 |
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