| Chain sequence(s) |
A: PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL
B: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:04)
|
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 |
|---|---|---|---|---|
| 238 | P | A | -0.8601 | |
| 239 | S | A | -0.0178 | |
| 240 | V | A | 0.0000 | |
| 241 | F | A | 1.8564 | |
| 242 | L | A | 1.3135 | |
| 243 | F | A | 1.4448 | |
| 244 | P | A | 0.0152 | |
| 245 | P | A | 0.0000 | |
| 246 | K | A | -2.0060 | |
| 247 | P | A | -1.3348 | |
| 248 | K | A | -1.1974 | |
| 249 | D | A | -0.9341 | |
| 250 | T | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | M | A | 0.7664 | |
| 253 | I | A | 1.8566 | |
| 254 | S | A | 0.4857 | |
| 255 | R | A | -0.3471 | |
| 256 | T | A | -0.2948 | |
| 257 | P | A | 0.0000 | |
| 258 | E | A | -0.7463 | |
| 259 | V | A | 0.0000 | |
| 260 | T | A | 0.5533 | |
| 261 | C | A | 0.0000 | |
| 262 | V | A | 0.9210 | |
| 263 | V | A | 0.0000 | |
| 264 | V | A | -0.6562 | |
| 265 | D | A | -2.1346 | |
| 266 | V | A | 0.0000 | |
| 267 | S | A | -2.3245 | |
| 268 | H | A | -2.5552 | |
| 269 | E | A | -2.9124 | |
| 270 | D | A | -2.5778 | |
| 271 | P | A | -2.3735 | |
| 272 | E | A | -2.9549 | |
| 273 | V | A | -1.7197 | |
| 274 | K | A | -2.0201 | |
| 275 | F | A | -1.0310 | |
| 276 | N | A | -1.1704 | |
| 277 | W | A | 0.0000 | |
| 278 | Y | A | -0.6775 | |
| 279 | V | A | -0.8541 | |
| 280 | D | A | -1.9606 | |
| 281 | G | A | -0.8226 | |
| 282 | V | A | 0.5481 | |
| 283 | E | A | -0.5512 | |
| 284 | V | A | -0.6309 | |
| 285 | H | A | -1.6443 | |
| 286 | N | A | -2.1147 | |
| 287 | A | A | -1.7799 | |
| 288 | K | A | -2.2932 | |
| 289 | T | A | -1.6450 | |
| 290 | K | A | -2.2067 | |
| 291 | P | A | -2.1889 | |
| 292 | R | A | -3.0697 | |
| 293 | E | A | -3.3788 | |
| 294 | E | A | -3.2442 | |
| 295 | Q | A | -2.0286 | |
| 296 | Y | A | -0.1242 | |
| 297 | N | A | -1.3380 | |
| 298 | S | A | -1.5819 | |
| 299 | T | A | -1.9466 | |
| 300 | Y | A | -2.3744 | |
| 301 | R | A | -2.5289 | |
| 302 | V | A | 0.0000 | |
| 303 | V | A | -0.6295 | |
| 304 | S | A | 0.0000 | |
| 305 | V | A | -0.7148 | |
| 306 | L | A | 0.0000 | |
| 307 | T | A | -0.5146 | |
| 308 | V | A | 0.0000 | |
| 309 | L | A | 0.9750 | |
| 310 | H | A | 0.0775 | |
| 311 | Q | A | -1.0713 | |
| 312 | D | A | -1.1449 | |
| 313 | W | A | 0.0000 | |
| 314 | L | A | -1.1919 | |
| 315 | N | A | -2.1002 | |
| 316 | G | A | -2.1582 | |
| 317 | K | A | -2.0884 | |
| 318 | E | A | -2.2119 | |
| 319 | Y | A | 0.0000 | |
| 320 | K | A | -1.6207 | |
| 321 | C | A | 0.0000 | |
| 322 | K | A | -1.3836 | |
| 323 | V | A | 0.0000 | |
| 324 | S | A | -1.3257 | |
| 325 | N | A | 0.0000 | |
| 326 | K | A | -2.3707 | |
| 327 | A | A | -1.3309 | |
| 328 | L | A | -0.4615 | |
| 329 | P | A | -0.4091 | |
| 330 | A | A | -0.3209 | |
| 331 | P | A | -0.7853 | |
| 332 | I | A | -0.5045 | |
| 333 | E | A | -1.4065 | |
| 334 | K | A | -1.1172 | |
| 335 | T | A | -0.9556 | |
| 336 | I | A | -0.2921 | |
| 337 | S | A | -1.0932 | |
| 338 | K | A | 0.0000 | |
| 339 | A | A | -1.1133 | |
| 340 | K | A | -2.3231 | |
| 341 | G | A | -1.9792 | |
| 342 | Q | A | -2.1404 | |
| 343 | P | A | -1.7846 | |
| 344 | R | A | -2.0662 | |
| 345 | E | A | -2.6071 | |
| 346 | P | A | 0.0000 | |
| 347 | Q | A | -1.1646 | |
| 348 | V | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | T | A | -0.7234 | |
| 351 | L | A | 0.0000 | |
| 352 | P | A | -0.2231 | |
| 353 | P | A | 0.0000 | |
| 354 | S | A | -1.3643 | |
| 355 | R | A | -2.4095 | |
| 356 | D | A | -2.3355 | |
| 357 | E | A | 0.0000 | |
| 358 | L | A | -1.4257 | |
| 359 | T | A | -1.3631 | |
| 360 | K | A | -2.0539 | |
| 361 | N | A | -2.4458 | |
| 362 | Q | A | -2.2852 | |
| 363 | V | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | C | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | K | A | -0.5252 | |
| 371 | G | A | -0.9503 | |
| 372 | F | A | 0.0000 | |
| 373 | Y | A | -1.0237 | |
| 374 | P | A | 0.0000 | |
| 375 | S | A | -0.0846 | |
| 376 | D | A | -1.0398 | |
| 377 | I | A | -0.5871 | |
| 378 | A | A | -0.5064 | |
| 379 | V | A | 0.0000 | |
| 380 | E | A | -1.1634 | |
| 381 | W | A | 0.0000 | |
| 382 | E | A | -1.7662 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -1.8072 | |
| 385 | G | A | -1.7320 | |
| 386 | Q | A | -2.3228 | |
| 387 | P | A | -2.0100 | |
| 388 | E | A | -1.9334 | |
| 389 | N | A | -2.1555 | |
| 390 | N | A | -1.5365 | |
| 391 | Y | A | -1.0098 | |
| 392 | K | A | -0.6978 | |
| 393 | T | A | -0.2065 | |
| 394 | T | A | 0.0000 | |
| 395 | P | A | -0.1036 | |
| 396 | P | A | 0.2050 | |
| 397 | V | A | 0.6923 | |
| 398 | L | A | 1.1220 | |
| 399 | D | A | -0.2403 | |
| 400 | S | A | -0.9791 | |
| 401 | D | A | -1.7878 | |
| 402 | G | A | -0.7075 | |
| 403 | S | A | 0.0000 | |
| 404 | F | A | 0.2934 | |
| 405 | F | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | S | A | 0.0000 | |
| 409 | K | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | T | A | -0.9304 | |
| 412 | V | A | 0.0000 | |
| 413 | D | A | -2.4898 | |
| 414 | K | A | -2.3684 | |
| 415 | S | A | -2.0688 | |
| 416 | R | A | -1.7275 | |
| 417 | W | A | 0.0000 | |
| 418 | Q | A | -1.7488 | |
| 419 | Q | A | -1.7394 | |
| 420 | G | A | -0.5951 | |
| 421 | N | A | -0.4251 | |
| 422 | V | A | 0.8611 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | -0.8903 | |
| 425 | C | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | E | A | -1.1204 | |
| 431 | A | A | -1.5706 | |
| 432 | L | A | 0.0000 | |
| 433 | H | A | -1.8283 | |
| 434 | N | A | -1.6708 | |
| 435 | H | A | -1.1447 | |
| 436 | Y | A | -0.4291 | |
| 437 | T | A | -0.8358 | |
| 438 | Q | A | -1.3506 | |
| 439 | K | A | -1.1122 | |
| 440 | S | A | -0.4193 | |
| 441 | L | A | 0.0000 | |
| 442 | S | A | 0.6242 | |
| 443 | L | A | 1.0874 | |
| 237 | G | B | -0.9882 | |
| 238 | P | B | 0.0000 | |
| 239 | S | B | 0.0085 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.8969 | |
| 242 | L | B | 1.3791 | |
| 243 | F | B | 1.6589 | |
| 244 | P | B | 0.1133 | |
| 245 | P | B | 0.0000 | |
| 246 | K | B | -2.1003 | |
| 247 | P | B | -1.3769 | |
| 248 | K | B | -1.0364 | |
| 249 | D | B | -1.0368 | |
| 250 | T | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | M | B | 0.6642 | |
| 253 | I | B | 1.7275 | |
| 254 | S | B | 0.3567 | |
| 255 | R | B | -0.7144 | |
| 256 | T | B | -0.4253 | |
| 257 | P | B | 0.0000 | |
| 258 | E | B | -0.8157 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.5236 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | -0.8301 | |
| 265 | D | B | -1.8456 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | -2.2523 | |
| 268 | H | B | -2.5354 | |
| 269 | E | B | -2.8875 | |
| 270 | D | B | -2.4773 | |
| 271 | P | B | -2.4083 | |
| 272 | E | B | -2.4279 | |
| 273 | V | B | -1.6992 | |
| 274 | K | B | -2.0341 | |
| 275 | F | B | -1.1834 | |
| 276 | N | B | -1.1365 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.5982 | |
| 279 | V | B | -0.7985 | |
| 280 | D | B | -2.0069 | |
| 281 | G | B | -0.8543 | |
| 282 | V | B | 0.6410 | |
| 283 | E | B | -0.5866 | |
| 284 | V | B | -0.6442 | |
| 285 | H | B | -1.8318 | |
| 286 | N | B | -2.1388 | |
| 287 | A | B | -1.8023 | |
| 288 | K | B | -2.3585 | |
| 289 | T | B | -1.9229 | |
| 290 | K | B | -2.2846 | |
| 291 | P | B | -2.2790 | |
| 292 | R | B | -3.3169 | |
| 293 | E | B | -3.6626 | |
| 294 | E | B | -3.4761 | |
| 295 | Q | B | -1.9469 | |
| 296 | Y | B | -0.1617 | |
| 297 | N | B | -1.2985 | |
| 298 | S | B | -1.5936 | |
| 299 | T | B | -2.1634 | |
| 300 | Y | B | -2.6580 | |
| 301 | R | B | -2.4684 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | -0.7120 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.4879 | |
| 308 | V | B | 0.0000 | |
| 309 | L | B | 0.9363 | |
| 310 | H | B | -0.0030 | |
| 311 | Q | B | -1.1260 | |
| 312 | D | B | -1.1402 | |
| 313 | W | B | 0.0000 | |
| 314 | L | B | -1.0401 | |
| 315 | N | B | -2.0546 | |
| 316 | G | B | -2.0886 | |
| 317 | K | B | -1.9938 | |
| 318 | E | B | -1.8896 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.5447 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.5550 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -1.3276 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -2.4794 | |
| 327 | A | B | -1.4392 | |
| 328 | L | B | -0.6170 | |
| 329 | P | B | -0.4757 | |
| 330 | A | B | -0.4327 | |
| 331 | P | B | -0.9046 | |
| 332 | I | B | -0.8066 | |
| 333 | E | B | -2.0032 | |
| 334 | K | B | -1.2318 | |
| 335 | T | B | -0.9672 | |
| 336 | I | B | -0.0489 | |
| 337 | S | B | -0.9505 | |
| 338 | K | B | 0.0000 | |
| 339 | A | B | -1.1244 | |
| 340 | K | B | -2.2999 | |
| 341 | G | B | -1.9665 | |
| 342 | Q | B | -1.9636 | |
| 343 | P | B | -1.8185 | |
| 344 | R | B | -2.1155 | |
| 345 | E | B | -2.5266 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -1.1666 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | T | B | -0.7022 | |
| 351 | L | B | 0.0000 | |
| 352 | P | B | -0.2526 | |
| 353 | P | B | 0.0000 | |
| 354 | S | B | -1.3225 | |
| 355 | R | B | -2.3580 | |
| 356 | D | B | -2.1951 | |
| 357 | E | B | 0.0000 | |
| 358 | L | B | -1.4921 | |
| 359 | T | B | -1.3723 | |
| 360 | K | B | -2.1668 | |
| 361 | N | B | -2.5057 | |
| 362 | Q | B | -2.3185 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.5071 | |
| 371 | G | B | -0.9635 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | -1.0998 | |
| 374 | P | B | 0.0000 | |
| 375 | S | B | -0.1780 | |
| 376 | D | B | -1.1491 | |
| 377 | I | B | -0.5854 | |
| 378 | A | B | -0.3882 | |
| 379 | V | B | -0.1673 | |
| 380 | E | B | -1.0214 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.7399 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.8462 | |
| 385 | G | B | -1.9131 | |
| 386 | Q | B | -2.3477 | |
| 387 | P | B | -2.0097 | |
| 388 | E | B | -1.8496 | |
| 389 | N | B | -2.0055 | |
| 390 | N | B | -1.3120 | |
| 391 | Y | B | -0.7752 | |
| 392 | K | B | -0.6055 | |
| 393 | T | B | -0.1776 | |
| 394 | T | B | 0.0000 | |
| 395 | P | B | -0.1261 | |
| 396 | P | B | 0.1543 | |
| 397 | V | B | 0.6951 | |
| 398 | L | B | 1.1093 | |
| 399 | D | B | -0.2745 | |
| 400 | S | B | -1.0283 | |
| 401 | D | B | -1.7978 | |
| 402 | G | B | -0.7796 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | 0.2570 | |
| 405 | F | B | 0.0000 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | S | B | 0.0000 | |
| 409 | K | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -0.8657 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -2.5575 | |
| 414 | K | B | -2.4413 | |
| 415 | S | B | -2.0752 | |
| 416 | R | B | -1.7601 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -1.9099 | |
| 419 | Q | B | -1.7520 | |
| 420 | G | B | -0.5173 | |
| 421 | N | B | -0.3628 | |
| 422 | V | B | 0.8943 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | 0.0000 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -1.0905 | |
| 431 | A | B | -1.5339 | |
| 432 | L | B | 0.0000 | |
| 433 | H | B | -1.7513 | |
| 434 | N | B | -1.5956 | |
| 435 | H | B | -1.0312 | |
| 436 | Y | B | -0.1600 | |
| 437 | T | B | -0.5015 | |
| 438 | Q | B | -0.7569 | |
| 439 | K | B | -0.8432 | |
| 440 | S | B | -0.3029 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | 0.6088 | |
| 443 | L | B | 1.0259 |
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