| Chain sequence(s) |
A: SDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGGSAFERVVRRVVQELDHGGEFIPVTSLQSSTGFQPYCLVVRKPSSSWFWKPRYKCVNLSIKDILEPDAAEPDVQRGRSFHFYDAMDGQIQGSVELAAPGQAKIAGGAAVSDSSSTSMNVYSLSVDPNTWQTLLHERHLRQPEHKVLQQLRSRGDNVYVVTEVLQTQKEVEVTRTHKREGSGRFSLPGATCLQGEGQGHLSQKKTVTIPSGSTLAFRVAQLVIDSDLDVLLFPDKKQRTFQPPATGHKRSTSEGAWPQLPSGLSMMRCLHNFLTD
input PDB |
| Selected Chain(s) | A |
| 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:32)
[INFO] Main: Simulation completed successfully. (00:05:35)
|
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 | |
| 63 | S | A | -1.3452 | |
| 64 | D | A | -2.8708 | |
| 65 | Q | A | -3.0267 | |
| 66 | E | A | -3.1275 | |
| 67 | A | A | -1.9763 | |
| 68 | K | A | -2.2356 | |
| 69 | P | A | -1.1899 | |
| 70 | S | A | -1.0612 | |
| 71 | T | A | -1.4935 | |
| 72 | E | A | -2.4974 | |
| 73 | D | A | -2.0598 | |
| 74 | L | A | -0.5168 | |
| 75 | G | A | -1.5043 | |
| 76 | D | A | -3.2709 | |
| 77 | K | A | -3.8578 | |
| 78 | K | A | -4.1992 | |
| 79 | E | A | -3.9119 | |
| 80 | G | A | -2.4354 | |
| 81 | E | A | -2.4707 | |
| 82 | Y | A | -1.2838 | |
| 83 | I | A | 0.0000 | |
| 84 | K | A | -2.9567 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -1.8745 | |
| 87 | V | A | 0.0000 | |
| 88 | I | A | -1.0482 | |
| 89 | G | A | -1.7211 | |
| 90 | Q | A | -2.4025 | |
| 91 | D | A | -2.6600 | |
| 92 | S | A | -1.9307 | |
| 93 | S | A | -1.5374 | |
| 94 | E | A | -2.1709 | |
| 95 | I | A | -0.9748 | |
| 96 | H | A | -1.8369 | |
| 97 | F | A | 0.0000 | |
| 98 | K | A | -2.3613 | |
| 99 | V | A | -1.3837 | |
| 100 | K | A | -1.4680 | |
| 101 | M | A | -1.8820 | |
| 102 | T | A | -1.2615 | |
| 103 | T | A | -1.2732 | |
| 104 | H | A | -2.7475 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.2332 | |
| 107 | K | A | -3.1828 | |
| 108 | L | A | 0.0000 | |
| 109 | K | A | -2.4864 | |
| 110 | E | A | -3.1371 | |
| 111 | S | A | -2.3499 | |
| 112 | Y | A | 0.0000 | |
| 113 | C | A | 0.0000 | |
| 114 | Q | A | -2.7445 | |
| 115 | R | A | -2.9009 | |
| 116 | Q | A | -2.1048 | |
| 117 | G | A | -1.7293 | |
| 118 | V | A | -1.1975 | |
| 119 | P | A | -0.9480 | |
| 120 | M | A | -1.2275 | |
| 121 | N | A | -1.6145 | |
| 122 | S | A | -1.0114 | |
| 123 | L | A | -0.7758 | |
| 124 | R | A | -1.2773 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | -1.3532 | |
| 127 | F | A | 0.0000 | |
| 128 | E | A | -2.5621 | |
| 129 | G | A | -2.2536 | |
| 130 | Q | A | -2.5353 | |
| 131 | R | A | -2.2583 | |
| 132 | I | A | 0.0000 | |
| 133 | A | A | -1.7524 | |
| 134 | D | A | -2.9983 | |
| 135 | N | A | -2.8217 | |
| 136 | H | A | -2.4131 | |
| 137 | T | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -3.3068 | |
| 140 | E | A | -2.9189 | |
| 141 | L | A | -1.9942 | |
| 142 | G | A | -1.9622 | |
| 143 | M | A | 0.0000 | |
| 144 | E | A | -3.5553 | |
| 145 | E | A | -3.9605 | |
| 146 | E | A | -3.8352 | |
| 147 | D | A | -2.7528 | |
| 148 | V | A | -1.2906 | |
| 149 | I | A | 0.0000 | |
| 150 | E | A | -1.5670 | |
| 151 | V | A | 0.0000 | |
| 152 | Y | A | -0.7616 | |
| 153 | Q | A | -1.2378 | |
| 154 | E | A | -1.3048 | |
| 155 | Q | A | -1.5329 | |
| 156 | T | A | -1.2555 | |
| 157 | G | A | -1.1865 | |
| 158 | G | A | -1.0300 | |
| 159 | G | A | -0.8185 | |
| 160 | S | A | -0.5029 | |
| 161 | A | A | -0.7992 | |
| 162 | F | A | 0.0000 | |
| 163 | E | A | -1.0363 | |
| 164 | R | A | -1.3674 | |
| 165 | V | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | R | A | -2.4114 | |
| 168 | R | A | -3.1799 | |
| 169 | V | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | Q | A | -2.8985 | |
| 172 | E | A | -2.8584 | |
| 173 | L | A | -1.5943 | |
| 174 | D | A | -2.0121 | |
| 175 | H | A | -2.2484 | |
| 176 | G | A | -1.6843 | |
| 177 | G | A | -1.9379 | |
| 178 | E | A | -2.2219 | |
| 179 | F | A | 0.0000 | |
| 180 | I | A | -1.0292 | |
| 181 | P | A | -1.2442 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.7175 | |
| 184 | S | A | -0.5601 | |
| 185 | L | A | -0.5267 | |
| 186 | Q | A | -1.2377 | |
| 187 | S | A | -1.0052 | |
| 188 | S | A | 0.0000 | |
| 189 | T | A | -0.5229 | |
| 190 | G | A | -0.9370 | |
| 191 | F | A | 0.0000 | |
| 192 | Q | A | -0.3450 | |
| 193 | P | A | 0.0000 | |
| 194 | Y | A | 0.0000 | |
| 195 | C | A | -0.4355 | |
| 196 | L | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | R | A | -2.5301 | |
| 200 | K | A | -2.8420 | |
| 201 | P | A | -1.6712 | |
| 202 | S | A | -0.7985 | |
| 203 | S | A | -0.2145 | |
| 204 | S | A | 1.0121 | |
| 205 | W | A | 2.0424 | |
| 206 | F | A | 2.6067 | |
| 207 | W | A | 1.2527 | |
| 208 | K | A | -1.1884 | |
| 209 | P | A | -1.8818 | |
| 210 | R | A | -3.1374 | |
| 211 | Y | A | -2.4303 | |
| 212 | K | A | -2.6148 | |
| 213 | C | A | -1.2075 | |
| 214 | V | A | -0.6819 | |
| 215 | N | A | -1.4097 | |
| 216 | L | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | K | A | -2.2195 | |
| 220 | D | A | -2.1169 | |
| 221 | I | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | E | A | -2.7342 | |
| 224 | P | A | -2.2720 | |
| 225 | D | A | -2.6879 | |
| 226 | A | A | -1.5529 | |
| 227 | A | A | -1.0116 | |
| 228 | E | A | -1.2023 | |
| 229 | P | A | -1.1629 | |
| 230 | D | A | -2.2163 | |
| 231 | V | A | -1.6861 | |
| 232 | Q | A | -2.6526 | |
| 233 | R | A | -3.0768 | |
| 234 | G | A | -2.3890 | |
| 235 | R | A | -2.5223 | |
| 236 | S | A | -1.6986 | |
| 237 | F | A | -0.8762 | |
| 238 | H | A | -0.7561 | |
| 239 | F | A | -0.3149 | |
| 240 | Y | A | 0.7140 | |
| 241 | D | A | -0.2271 | |
| 242 | A | A | -0.2768 | |
| 243 | M | A | -0.8309 | |
| 244 | D | A | -2.0288 | |
| 245 | G | A | -1.4944 | |
| 246 | Q | A | -1.9282 | |
| 247 | I | A | -0.9697 | |
| 248 | Q | A | -1.7608 | |
| 249 | G | A | -0.7720 | |
| 250 | S | A | -0.4409 | |
| 251 | V | A | 0.8489 | |
| 252 | E | A | -0.6098 | |
| 253 | L | A | 0.6662 | |
| 254 | A | A | -0.2088 | |
| 255 | A | A | -0.5246 | |
| 256 | P | A | -0.7657 | |
| 257 | G | A | -1.2349 | |
| 258 | Q | A | -1.4875 | |
| 259 | A | A | -0.4949 | |
| 260 | K | A | -1.1452 | |
| 261 | I | A | 0.3503 | |
| 262 | A | A | -0.5370 | |
| 263 | G | A | -0.7664 | |
| 264 | G | A | -1.1809 | |
| 265 | A | A | -1.5297 | |
| 266 | A | A | -1.8303 | |
| 267 | V | A | -1.5427 | |
| 268 | S | A | 0.0000 | |
| 269 | D | A | -1.9023 | |
| 270 | S | A | -1.5448 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -0.6268 | |
| 273 | T | A | 0.0000 | |
| 274 | S | A | -0.4910 | |
| 275 | M | A | 0.0000 | |
| 276 | N | A | -1.3621 | |
| 277 | V | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | L | A | -1.5104 | |
| 281 | S | A | -1.2861 | |
| 282 | V | A | 0.0000 | |
| 283 | D | A | -1.4794 | |
| 284 | P | A | -1.1890 | |
| 285 | N | A | -1.9014 | |
| 286 | T | A | -1.5112 | |
| 287 | W | A | 0.0000 | |
| 288 | Q | A | -2.2999 | |
| 289 | T | A | -1.7194 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | -1.8644 | |
| 292 | H | A | -2.5641 | |
| 293 | E | A | -2.7520 | |
| 294 | R | A | 0.0000 | |
| 295 | H | A | -2.1946 | |
| 296 | L | A | -1.6120 | |
| 297 | R | A | -2.1877 | |
| 298 | Q | A | -2.0139 | |
| 299 | P | A | -1.7871 | |
| 300 | E | A | -2.1237 | |
| 301 | H | A | -2.0727 | |
| 302 | K | A | -2.6303 | |
| 303 | V | A | -1.5984 | |
| 304 | L | A | 0.0000 | |
| 305 | Q | A | -3.3145 | |
| 306 | Q | A | -3.2237 | |
| 307 | L | A | 0.0000 | |
| 308 | R | A | -3.6854 | |
| 309 | S | A | -2.7799 | |
| 310 | R | A | -3.2557 | |
| 311 | G | A | -2.5754 | |
| 312 | D | A | -2.3918 | |
| 313 | N | A | -1.7786 | |
| 314 | V | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | E | A | -0.7776 | |
| 320 | V | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | Q | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | Q | A | -2.1480 | |
| 325 | K | A | -3.0867 | |
| 326 | E | A | -3.2005 | |
| 327 | V | A | 0.0000 | |
| 328 | E | A | -2.4069 | |
| 329 | V | A | 0.0000 | |
| 330 | T | A | -1.5703 | |
| 331 | R | A | -2.1234 | |
| 332 | T | A | -2.4555 | |
| 333 | H | A | -2.3907 | |
| 334 | K | A | -2.7893 | |
| 335 | R | A | -3.0389 | |
| 336 | E | A | -2.9090 | |
| 337 | G | A | -2.1448 | |
| 338 | S | A | -2.2375 | |
| 339 | G | A | -1.7493 | |
| 340 | R | A | -2.5505 | |
| 341 | F | A | -0.4296 | |
| 342 | S | A | -0.4358 | |
| 343 | L | A | 0.2074 | |
| 344 | P | A | -0.6995 | |
| 345 | G | A | -0.3580 | |
| 346 | A | A | 0.2410 | |
| 347 | T | A | 0.3060 | |
| 348 | C | A | 0.8825 | |
| 349 | L | A | 0.9980 | |
| 350 | Q | A | -1.0113 | |
| 351 | G | A | -1.3004 | |
| 352 | E | A | -3.0794 | |
| 353 | G | A | -2.4009 | |
| 354 | Q | A | -2.8617 | |
| 355 | G | A | -2.0649 | |
| 356 | H | A | -2.1078 | |
| 357 | L | A | -0.9692 | |
| 358 | S | A | -1.9584 | |
| 359 | Q | A | -2.9314 | |
| 360 | K | A | -3.5428 | |
| 361 | K | A | -2.9582 | |
| 362 | T | A | -1.6579 | |
| 363 | V | A | -0.7319 | |
| 364 | T | A | -1.0323 | |
| 365 | I | A | 0.0000 | |
| 366 | P | A | -1.5755 | |
| 367 | S | A | -1.9048 | |
| 368 | G | A | -1.0824 | |
| 369 | S | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | F | A | 0.0000 | |
| 374 | R | A | -0.7427 | |
| 375 | V | A | 0.1996 | |
| 376 | A | A | 0.0000 | |
| 377 | Q | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | D | A | -3.0545 | |
| 382 | S | A | -2.1342 | |
| 383 | D | A | -2.9998 | |
| 384 | L | A | -2.0856 | |
| 385 | D | A | -2.1059 | |
| 386 | V | A | 0.0000 | |
| 387 | L | A | 0.9574 | |
| 388 | L | A | 1.5641 | |
| 389 | F | A | 2.0640 | |
| 390 | P | A | 0.0522 | |
| 391 | D | A | -1.6986 | |
| 392 | K | A | -2.9117 | |
| 393 | K | A | -3.1547 | |
| 394 | Q | A | -2.4624 | |
| 395 | R | A | -2.4853 | |
| 396 | T | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | Q | A | -1.7472 | |
| 399 | P | A | -1.0445 | |
| 400 | P | A | -0.9224 | |
| 401 | A | A | -0.7928 | |
| 402 | T | A | -0.8607 | |
| 403 | G | A | -1.5903 | |
| 404 | H | A | -2.5800 | |
| 405 | K | A | -3.2864 | |
| 406 | R | A | -3.1026 | |
| 407 | S | A | -1.7672 | |
| 408 | T | A | -1.2503 | |
| 409 | S | A | -1.2880 | |
| 410 | E | A | -2.1596 | |
| 411 | G | A | -1.1511 | |
| 412 | A | A | -0.0507 | |
| 413 | W | A | 0.8564 | |
| 414 | P | A | 0.1327 | |
| 415 | Q | A | -0.3035 | |
| 416 | L | A | 0.8300 | |
| 417 | P | A | 0.0517 | |
| 418 | S | A | 0.0661 | |
| 419 | G | A | 0.2223 | |
| 420 | L | A | 1.5282 | |
| 421 | S | A | 1.2263 | |
| 422 | M | A | 1.4024 | |
| 423 | M | A | 0.9020 | |
| 424 | R | A | -0.4436 | |
| 425 | C | A | 0.2975 | |
| 426 | L | A | 0.9345 | |
| 427 | H | A | -0.4927 | |
| 428 | N | A | 0.0294 | |
| 429 | F | A | 2.0088 | |
| 430 | L | A | 1.8698 | |
| 431 | T | A | 0.2165 | |
| 432 | D | A | -1.5012 |
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