| Chain sequence(s) |
A: MKAFHTFCVVLLVFGSVSEAKFDDFEDEEDIVEYDDNDFAEFEDVMEDSVTESPQRVIITEDDEDETTVELEGQDENQEGDFEDADTQEGDTESEPYDDEEFEGYEDKPDTSSSKNKDPITIVDVPAHLQNSWESYYLEILMVTGLLAYIMNYIIGKNKNSRLAQAWFNTHRELLESNFTLVGDDGTNKEATSTGKLNQENEHIYNLWCSGRVCCEGMLIQLRFLKRQDLLNVLARMMRPVSDQVQIKVTMNDEDMDTYVFAVGTRKALVRLQKEMQDLSEFCSDKPKSGAKYGLPDSLAILSEMGEVTDGMMDTKMVHFLTHYADKIESVHFSDQFSGPKIMQEEGQPLKLPDTKRTLLFTFNVPGSGNTYPKDMEALLPLMNMVIYSIDKAKKFRLNREGRANKKQIRTVPE
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:06)
[INFO] Main: Simulation completed successfully. (00:07:09)
|
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 | |
| 1 | M | A | -0.1183 | |
| 2 | K | A | -1.3067 | |
| 3 | A | A | -0.3410 | |
| 4 | F | A | 0.2567 | |
| 5 | H | A | -0.3849 | |
| 6 | T | A | 0.5836 | |
| 7 | F | A | 1.7105 | |
| 8 | C | A | 1.9553 | |
| 9 | V | A | 2.9745 | |
| 10 | V | A | 3.6756 | |
| 11 | L | A | 4.0760 | |
| 12 | L | A | 4.3346 | |
| 13 | V | A | 4.4169 | |
| 14 | F | A | 4.1720 | |
| 15 | G | A | 2.4659 | |
| 16 | S | A | 1.8125 | |
| 17 | V | A | 2.0112 | |
| 18 | S | A | -0.2887 | |
| 19 | E | A | -1.6184 | |
| 20 | A | A | -1.0024 | |
| 21 | K | A | -1.8472 | |
| 22 | F | A | -0.1556 | |
| 23 | D | A | -1.8296 | |
| 24 | D | A | -2.0793 | |
| 25 | F | A | -0.6799 | |
| 26 | E | A | -3.0347 | |
| 27 | D | A | -3.9461 | |
| 28 | E | A | -3.9897 | |
| 29 | E | A | -3.4976 | |
| 30 | D | A | -2.0724 | |
| 31 | I | A | 0.9713 | |
| 32 | V | A | 1.3550 | |
| 33 | E | A | -0.6608 | |
| 34 | Y | A | -0.3667 | |
| 35 | D | A | -2.8098 | |
| 36 | D | A | -3.1941 | |
| 37 | N | A | -3.0780 | |
| 38 | D | A | -2.5295 | |
| 39 | F | A | -0.2811 | |
| 40 | A | A | -1.2912 | |
| 41 | E | A | -1.7003 | |
| 42 | F | A | 0.4992 | |
| 43 | E | A | -1.4832 | |
| 44 | D | A | -2.1660 | |
| 45 | V | A | 0.1326 | |
| 46 | M | A | -0.2569 | |
| 47 | E | A | -2.3067 | |
| 48 | D | A | -1.9617 | |
| 49 | S | A | -0.7901 | |
| 50 | V | A | 0.5970 | |
| 51 | T | A | -0.4544 | |
| 52 | E | A | -1.7561 | |
| 53 | S | A | -1.5352 | |
| 54 | P | A | -1.6745 | |
| 55 | Q | A | -1.8089 | |
| 56 | R | A | -0.9153 | |
| 57 | V | A | 2.0217 | |
| 58 | I | A | 3.0466 | |
| 59 | I | A | 2.7670 | |
| 60 | T | A | 0.0966 | |
| 61 | E | A | -2.6279 | |
| 62 | D | A | -4.2211 | |
| 63 | D | A | -4.3554 | |
| 64 | E | A | -4.6678 | |
| 65 | D | A | -4.1809 | |
| 66 | E | A | -3.1571 | |
| 67 | T | A | -0.9970 | |
| 68 | T | A | -0.0859 | |
| 69 | V | A | 1.2012 | |
| 70 | E | A | -0.6333 | |
| 71 | L | A | 0.0937 | |
| 72 | E | A | -1.9409 | |
| 73 | G | A | -2.0018 | |
| 74 | Q | A | -3.0485 | |
| 75 | D | A | -3.6529 | |
| 76 | E | A | -3.8475 | |
| 77 | N | A | -3.5612 | |
| 78 | Q | A | -3.2276 | |
| 79 | E | A | -3.2920 | |
| 80 | G | A | -2.0537 | |
| 81 | D | A | -1.8687 | |
| 82 | F | A | -0.3203 | |
| 83 | E | A | -2.1406 | |
| 84 | D | A | -2.6056 | |
| 85 | A | A | -1.9082 | |
| 86 | D | A | -2.4578 | |
| 87 | T | A | -1.9297 | |
| 88 | Q | A | -2.6236 | |
| 89 | E | A | -3.0282 | |
| 90 | G | A | -2.5154 | |
| 91 | D | A | -2.8868 | |
| 92 | T | A | -2.1759 | |
| 93 | E | A | -2.8435 | |
| 94 | S | A | -2.0925 | |
| 95 | E | A | -2.3590 | |
| 96 | P | A | -1.3578 | |
| 97 | Y | A | -1.0357 | |
| 98 | D | A | -3.0392 | |
| 99 | D | A | -3.6362 | |
| 100 | E | A | -3.9123 | |
| 101 | E | A | -3.2857 | |
| 102 | F | A | -1.1970 | |
| 103 | E | A | -2.3172 | |
| 104 | G | A | -1.2307 | |
| 105 | Y | A | -0.6586 | |
| 106 | E | A | -2.8021 | |
| 107 | D | A | -3.4719 | |
| 108 | K | A | -3.4271 | |
| 109 | P | A | -2.3582 | |
| 110 | D | A | -2.6165 | |
| 111 | T | A | -1.3656 | |
| 112 | S | A | -0.9572 | |
| 113 | S | A | -1.3129 | |
| 114 | S | A | -1.7380 | |
| 115 | K | A | -3.1333 | |
| 116 | N | A | -3.5733 | |
| 117 | K | A | -3.4616 | |
| 118 | D | A | -2.8132 | |
| 119 | P | A | -0.5078 | |
| 120 | I | A | 1.9784 | |
| 121 | T | A | 1.8382 | |
| 122 | I | A | 3.0811 | |
| 123 | V | A | 2.5391 | |
| 124 | D | A | 0.3289 | |
| 125 | V | A | 1.2852 | |
| 126 | P | A | 0.2844 | |
| 127 | A | A | -0.4335 | |
| 128 | H | A | -0.6436 | |
| 129 | L | A | 0.5202 | |
| 130 | Q | A | -0.9127 | |
| 131 | N | A | -1.6025 | |
| 132 | S | A | -1.0640 | |
| 133 | W | A | -0.2680 | |
| 134 | E | A | -0.9423 | |
| 135 | S | A | -0.4726 | |
| 136 | Y | A | 1.3518 | |
| 137 | Y | A | 1.6394 | |
| 138 | L | A | 2.3358 | |
| 139 | E | A | 1.5740 | |
| 140 | I | A | 2.3784 | |
| 141 | L | A | 2.6822 | |
| 142 | M | A | 3.0619 | |
| 143 | V | A | 3.4297 | |
| 144 | T | A | 2.3656 | |
| 145 | G | A | 2.0670 | |
| 146 | L | A | 3.3090 | |
| 147 | L | A | 2.8789 | |
| 148 | A | A | 2.0196 | |
| 149 | Y | A | 2.7275 | |
| 150 | I | A | 2.7103 | |
| 151 | M | A | 2.5781 | |
| 152 | N | A | 2.0140 | |
| 153 | Y | A | 1.7582 | |
| 154 | I | A | 2.3611 | |
| 155 | I | A | 2.4302 | |
| 156 | G | A | 0.0000 | |
| 157 | K | A | -0.5852 | |
| 158 | N | A | -0.6761 | |
| 159 | K | A | -0.8209 | |
| 160 | N | A | 0.0000 | |
| 161 | S | A | -1.7721 | |
| 162 | R | A | -2.5450 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | Q | A | -2.3876 | |
| 166 | A | A | -2.0539 | |
| 167 | W | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | N | A | -2.5656 | |
| 170 | T | A | -2.0389 | |
| 171 | H | A | 0.0000 | |
| 172 | R | A | -3.4013 | |
| 173 | E | A | -3.4415 | |
| 174 | L | A | -2.0771 | |
| 175 | L | A | 0.0000 | |
| 176 | E | A | -3.0546 | |
| 177 | S | A | -1.9664 | |
| 178 | N | A | -1.0648 | |
| 179 | F | A | 0.0000 | |
| 180 | T | A | -0.6169 | |
| 181 | L | A | -0.4591 | |
| 182 | V | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | D | A | -1.5308 | |
| 185 | D | A | -1.8520 | |
| 186 | G | A | -1.7981 | |
| 187 | T | A | -1.7123 | |
| 188 | N | A | -2.7356 | |
| 189 | K | A | -3.1317 | |
| 190 | E | A | -3.0650 | |
| 191 | A | A | -1.8553 | |
| 192 | T | A | -1.3325 | |
| 193 | S | A | -1.0405 | |
| 194 | T | A | -0.9509 | |
| 195 | G | A | -1.8683 | |
| 196 | K | A | -2.3947 | |
| 197 | L | A | -1.9117 | |
| 198 | N | A | -2.5529 | |
| 199 | Q | A | -2.5981 | |
| 200 | E | A | -2.6806 | |
| 201 | N | A | -1.9331 | |
| 202 | E | A | -1.6103 | |
| 203 | H | A | -1.2724 | |
| 204 | I | A | -1.1307 | |
| 205 | Y | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | W | A | -0.0155 | |
| 209 | C | A | 0.0000 | |
| 210 | S | A | -0.4455 | |
| 211 | G | A | -0.5359 | |
| 212 | R | A | -0.0060 | |
| 213 | V | A | 0.9866 | |
| 214 | C | A | -0.5971 | |
| 215 | C | A | 0.0000 | |
| 216 | E | A | -2.0394 | |
| 217 | G | A | -0.8314 | |
| 218 | M | A | 0.0000 | |
| 219 | L | A | 0.2356 | |
| 220 | I | A | 0.0000 | |
| 221 | Q | A | -0.4044 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | -0.8446 | |
| 224 | F | A | 0.0000 | |
| 225 | L | A | -0.5566 | |
| 226 | K | A | -1.0812 | |
| 227 | R | A | -0.2210 | |
| 228 | Q | A | 0.0000 | |
| 229 | D | A | 0.2405 | |
| 230 | L | A | 1.3012 | |
| 231 | L | A | 1.7329 | |
| 232 | N | A | 0.6287 | |
| 233 | V | A | 0.9870 | |
| 234 | L | A | 1.7464 | |
| 235 | A | A | 1.0890 | |
| 236 | R | A | 0.6574 | |
| 237 | M | A | 1.3510 | |
| 238 | M | A | 0.9290 | |
| 239 | R | A | -0.6622 | |
| 240 | P | A | -0.0175 | |
| 241 | V | A | 1.0517 | |
| 242 | S | A | 0.1154 | |
| 243 | D | A | 0.0000 | |
| 244 | Q | A | -0.4544 | |
| 245 | V | A | 0.0000 | |
| 246 | Q | A | -0.5570 | |
| 247 | I | A | 0.0000 | |
| 248 | K | A | -0.4721 | |
| 249 | V | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | M | A | 0.0000 | |
| 252 | N | A | -2.5162 | |
| 253 | D | A | -3.5346 | |
| 254 | E | A | -3.1448 | |
| 255 | D | A | -2.5599 | |
| 256 | M | A | 0.0000 | |
| 257 | D | A | -1.9902 | |
| 258 | T | A | -1.0213 | |
| 259 | Y | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | T | A | -1.6883 | |
| 266 | R | A | -2.2948 | |
| 267 | K | A | -2.3510 | |
| 268 | A | A | -1.6757 | |
| 269 | L | A | 0.0000 | |
| 270 | V | A | -1.6779 | |
| 271 | R | A | -2.6179 | |
| 272 | L | A | -1.5782 | |
| 273 | Q | A | -2.3087 | |
| 274 | K | A | -2.5726 | |
| 275 | E | A | -2.0463 | |
| 276 | M | A | 0.0000 | |
| 277 | Q | A | -1.3839 | |
| 278 | D | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | -1.8482 | |
| 281 | E | A | -2.3963 | |
| 282 | F | A | -1.0269 | |
| 283 | C | A | 0.0000 | |
| 284 | S | A | -1.9762 | |
| 285 | D | A | -3.1317 | |
| 286 | K | A | -2.9379 | |
| 287 | P | A | -2.1549 | |
| 288 | K | A | -2.2562 | |
| 289 | S | A | -1.7556 | |
| 290 | G | A | 0.0000 | |
| 291 | A | A | -1.4791 | |
| 292 | K | A | -1.9253 | |
| 293 | Y | A | -1.2143 | |
| 294 | G | A | -1.1991 | |
| 295 | L | A | 0.0000 | |
| 296 | P | A | -1.4096 | |
| 297 | D | A | -2.2280 | |
| 298 | S | A | -1.7778 | |
| 299 | L | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | S | A | -0.9071 | |
| 304 | E | A | -0.7047 | |
| 305 | M | A | -0.6236 | |
| 306 | G | A | -1.2600 | |
| 307 | E | A | -1.9122 | |
| 308 | V | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | D | A | -2.3380 | |
| 311 | G | A | -1.6002 | |
| 312 | M | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | D | A | -1.1394 | |
| 315 | T | A | -0.7946 | |
| 316 | K | A | -1.0767 | |
| 317 | M | A | 0.0000 | |
| 318 | V | A | -0.6054 | |
| 319 | H | A | -1.0809 | |
| 320 | F | A | -0.5809 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | -1.0995 | |
| 323 | H | A | -1.2368 | |
| 324 | Y | A | -0.8621 | |
| 325 | A | A | -1.4342 | |
| 326 | D | A | -2.1482 | |
| 327 | K | A | -1.4021 | |
| 328 | I | A | 0.0000 | |
| 329 | E | A | -1.2270 | |
| 330 | S | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | D | A | 0.0000 | |
| 336 | Q | A | -0.9568 | |
| 337 | F | A | -0.6331 | |
| 338 | S | A | -0.8097 | |
| 339 | G | A | 0.0000 | |
| 340 | P | A | -0.8588 | |
| 341 | K | A | -1.1698 | |
| 342 | I | A | 0.3711 | |
| 343 | M | A | -0.0605 | |
| 344 | Q | A | -1.9592 | |
| 345 | E | A | -3.0674 | |
| 346 | E | A | -3.3294 | |
| 347 | G | A | -2.1742 | |
| 348 | Q | A | -2.0824 | |
| 349 | P | A | -0.9835 | |
| 350 | L | A | -0.0725 | |
| 351 | K | A | -1.1858 | |
| 352 | L | A | -0.3981 | |
| 353 | P | A | -0.9610 | |
| 354 | D | A | -2.1772 | |
| 355 | T | A | -1.3948 | |
| 356 | K | A | -1.9570 | |
| 357 | R | A | -1.7480 | |
| 358 | T | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | L | A | -0.0660 | |
| 361 | F | A | 0.0000 | |
| 362 | T | A | -0.4264 | |
| 363 | F | A | 0.0000 | |
| 364 | N | A | -0.8333 | |
| 365 | V | A | 0.0000 | |
| 366 | P | A | -1.1426 | |
| 367 | G | A | -0.6562 | |
| 368 | S | A | -0.4539 | |
| 369 | G | A | -0.3989 | |
| 370 | N | A | -1.0526 | |
| 371 | T | A | 0.0000 | |
| 372 | Y | A | -0.1526 | |
| 373 | P | A | -1.1556 | |
| 374 | K | A | -1.8201 | |
| 375 | D | A | -1.2883 | |
| 376 | M | A | 0.0000 | |
| 377 | E | A | -1.7835 | |
| 378 | A | A | -0.8551 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | -0.0997 | |
| 381 | P | A | -0.2180 | |
| 382 | L | A | 0.0000 | |
| 383 | M | A | 0.0000 | |
| 384 | N | A | -0.6696 | |
| 385 | M | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | I | A | -0.2068 | |
| 388 | Y | A | -0.2729 | |
| 389 | S | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | D | A | -1.0662 | |
| 392 | K | A | -1.4966 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -2.6250 | |
| 395 | K | A | -2.7660 | |
| 396 | F | A | -2.1237 | |
| 397 | R | A | -2.9866 | |
| 398 | L | A | 0.0000 | |
| 399 | N | A | -3.1611 | |
| 400 | R | A | -3.8172 | |
| 401 | E | A | -3.7930 | |
| 402 | G | A | 0.0000 | |
| 403 | R | A | -3.3603 | |
| 404 | A | A | -2.8197 | |
| 405 | N | A | -2.6564 | |
| 406 | K | A | 0.0000 | |
| 407 | K | A | -2.5639 | |
| 408 | Q | A | -1.6537 | |
| 409 | I | A | -0.2542 | |
| 410 | R | A | -0.9232 | |
| 411 | T | A | -0.3415 | |
| 412 | V | A | 0.8310 | |
| 413 | P | A | -0.2413 | |
| 414 | E | A | -1.7753 |
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