| Chain sequence(s) |
A: TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGYNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHEPEVKTVVHLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLASYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDITD
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:31)
[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 | |
| 2 | T | A | -0.9629 | |
| 3 | L | A | -1.4654 | |
| 4 | E | A | -2.5365 | |
| 5 | K | A | -1.5925 | |
| 6 | F | A | 0.0000 | |
| 7 | V | A | -0.6601 | |
| 8 | D | A | -0.7976 | |
| 9 | A | A | -0.1300 | |
| 10 | L | A | 0.0000 | |
| 11 | P | A | 0.3800 | |
| 12 | I | A | 0.7857 | |
| 13 | P | A | -0.1068 | |
| 14 | D | A | -1.5658 | |
| 15 | T | A | -1.2706 | |
| 16 | L | A | -1.2395 | |
| 17 | K | A | -1.9527 | |
| 18 | P | A | -0.7737 | |
| 19 | V | A | 0.3099 | |
| 20 | Q | A | -1.4656 | |
| 21 | Q | A | -2.7451 | |
| 22 | S | A | -2.8581 | |
| 23 | K | A | -3.3560 | |
| 24 | E | A | -3.6409 | |
| 25 | K | A | -3.2981 | |
| 26 | T | A | 0.0000 | |
| 27 | Y | A | -0.7893 | |
| 28 | Y | A | 0.0000 | |
| 29 | E | A | -0.6238 | |
| 30 | V | A | 0.0000 | |
| 31 | T | A | -0.9327 | |
| 32 | M | A | 0.0000 | |
| 33 | E | A | -1.2984 | |
| 34 | E | A | -1.3515 | |
| 35 | C | A | -0.9684 | |
| 36 | T | A | -1.2744 | |
| 37 | H | A | -1.2013 | |
| 38 | Q | A | -1.9807 | |
| 39 | L | A | 0.0000 | |
| 40 | H | A | 0.0000 | |
| 41 | R | A | -2.7944 | |
| 42 | D | A | -3.0659 | |
| 43 | L | A | 0.0000 | |
| 44 | P | A | -2.0662 | |
| 45 | P | A | -1.8780 | |
| 46 | T | A | 0.0000 | |
| 47 | R | A | -1.9613 | |
| 48 | L | A | 0.0000 | |
| 49 | W | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | N | A | -0.7090 | |
| 53 | G | A | -0.5216 | |
| 54 | L | A | -0.0086 | |
| 55 | F | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | E | A | -1.3266 | |
| 62 | V | A | 0.0000 | |
| 63 | K | A | -2.9041 | |
| 64 | R | A | -3.4882 | |
| 65 | N | A | -3.1251 | |
| 66 | E | A | -2.9727 | |
| 67 | N | A | -2.6465 | |
| 68 | V | A | 0.0000 | |
| 69 | Y | A | -0.3574 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -0.7790 | |
| 72 | W | A | 0.0000 | |
| 73 | M | A | -1.0475 | |
| 74 | N | A | 0.0000 | |
| 75 | N | A | -1.8812 | |
| 76 | L | A | 0.0000 | |
| 77 | P | A | -0.7779 | |
| 78 | S | A | -0.7399 | |
| 79 | T | A | -0.3812 | |
| 80 | H | A | 0.0000 | |
| 81 | F | A | 0.3352 | |
| 82 | L | A | 0.0000 | |
| 83 | P | A | 0.0610 | |
| 84 | I | A | -0.1485 | |
| 85 | D | A | 0.0000 | |
| 86 | H | A | -1.4282 | |
| 87 | T | A | -0.8763 | |
| 88 | I | A | 0.0000 | |
| 89 | H | A | -1.3357 | |
| 97 | E | A | -2.3601 | |
| 98 | P | A | -2.0975 | |
| 99 | E | A | -1.7575 | |
| 100 | V | A | 0.0000 | |
| 101 | K | A | -1.0379 | |
| 102 | T | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | G | A | -0.0672 | |
| 109 | G | A | 0.0000 | |
| 110 | V | A | -0.2964 | |
| 111 | T | A | 0.0000 | |
| 112 | P | A | -0.4955 | |
| 113 | D | A | -1.1183 | |
| 114 | D | A | -1.3500 | |
| 115 | S | A | 0.0000 | |
| 116 | D | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | E | A | -0.0725 | |
| 121 | A | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | K | A | -2.3812 | |
| 126 | D | A | -3.0066 | |
| 127 | F | A | -2.3545 | |
| 128 | E | A | -2.9933 | |
| 129 | Q | A | -2.7327 | |
| 130 | T | A | -1.6728 | |
| 131 | G | A | 0.0000 | |
| 132 | P | A | -0.2815 | |
| 133 | Y | A | 0.0053 | |
| 134 | F | A | -0.9362 | |
| 135 | K | A | -2.1447 | |
| 136 | R | A | -1.9710 | |
| 137 | E | A | -2.0674 | |
| 138 | V | A | -0.9206 | |
| 139 | Y | A | 0.0000 | |
| 140 | H | A | -0.4691 | |
| 141 | Y | A | 0.0000 | |
| 142 | P | A | -1.4822 | |
| 143 | N | A | 0.0000 | |
| 144 | Q | A | -2.5119 | |
| 145 | Q | A | -1.8060 | |
| 146 | R | A | -1.6500 | |
| 147 | G | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | W | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | D | A | 0.0000 | |
| 155 | H | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | A | A | -0.3650 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | R | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | Y | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | H | A | -2.1329 | |
| 176 | D | A | -2.4402 | |
| 177 | P | A | -2.4870 | |
| 178 | K | A | -3.0357 | |
| 179 | E | A | -2.8647 | |
| 180 | K | A | -3.6921 | |
| 181 | R | A | -3.6152 | |
| 182 | L | A | -2.5709 | |
| 183 | K | A | -3.2617 | |
| 184 | L | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | S | A | -2.1978 | |
| 187 | D | A | -2.8253 | |
| 188 | E | A | -2.6450 | |
| 189 | Y | A | 0.0000 | |
| 190 | D | A | -1.4600 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | R | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | I | A | -0.7175 | |
| 201 | N | A | -1.6721 | |
| 202 | E | A | -3.0394 | |
| 203 | D | A | -2.9256 | |
| 204 | G | A | 0.0000 | |
| 205 | S | A | -1.3434 | |
| 206 | L | A | 0.0000 | |
| 207 | F | A | 0.5028 | |
| 208 | Y | A | 0.0000 | |
| 209 | P | A | -0.1139 | |
| 210 | S | A | -0.4996 | |
| 211 | A | A | -1.0660 | |
| 212 | P | A | -1.3824 | |
| 213 | E | A | -2.5815 | |
| 214 | N | A | -2.3575 | |
| 215 | P | A | -1.7601 | |
| 216 | S | A | -0.9744 | |
| 217 | P | A | -0.6812 | |
| 218 | S | A | -0.6806 | |
| 219 | L | A | -0.5868 | |
| 220 | P | A | -0.7865 | |
| 221 | N | A | -1.4569 | |
| 222 | P | A | -0.9471 | |
| 223 | S | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | P | A | -0.1030 | |
| 227 | A | A | -0.0384 | |
| 228 | F | A | 0.0000 | |
| 229 | C | A | -0.3436 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | -1.6701 | |
| 232 | T | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | N | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | K | A | -0.6156 | |
| 239 | V | A | 0.0000 | |
| 240 | W | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | Y | A | -0.2125 | |
| 243 | L | A | -0.5024 | |
| 244 | E | A | -1.7786 | |
| 245 | V | A | 0.0000 | |
| 246 | E | A | 0.0000 | |
| 247 | P | A | -1.0003 | |
| 248 | R | A | 0.0000 | |
| 249 | K | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | R | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | R | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | N | A | 0.0000 | |
| 260 | T | A | 0.0481 | |
| 261 | R | A | 0.0000 | |
| 262 | T | A | -0.1508 | |
| 263 | Y | A | 0.0000 | |
| 264 | N | A | -0.5474 | |
| 265 | L | A | 0.0000 | |
| 266 | S | A | -1.1858 | |
| 267 | L | A | 0.0000 | |
| 268 | D | A | -2.1085 | |
| 269 | N | A | -1.7899 | |
| 270 | G | A | -1.7346 | |
| 271 | G | A | 0.0000 | |
| 272 | D | A | -1.8553 | |
| 273 | F | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | Q | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | G | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | D | A | 0.0000 | |
| 280 | G | A | -0.2891 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | R | A | -1.6720 | |
| 286 | S | A | 0.0000 | |
| 287 | V | A | -1.3213 | |
| 288 | K | A | -2.2945 | |
| 289 | L | A | -1.5010 | |
| 290 | N | A | -1.9849 | |
| 291 | S | A | -1.2048 | |
| 292 | F | A | 0.0000 | |
| 293 | S | A | -0.2829 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | P | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | E | A | 0.0000 | |
| 299 | R | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | D | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | D | A | -0.6346 | |
| 306 | F | A | 0.0000 | |
| 307 | T | A | -0.5611 | |
| 308 | A | A | -0.5908 | |
| 309 | Y | A | -1.2614 | |
| 310 | E | A | -2.5048 | |
| 311 | G | A | -2.3010 | |
| 312 | E | A | -2.2523 | |
| 313 | S | A | -1.6514 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | -0.6136 | |
| 316 | L | A | 0.0000 | |
| 317 | A | A | -0.5042 | |
| 318 | N | A | 0.0000 | |
| 319 | S | A | -0.7573 | |
| 320 | A | A | -0.7876 | |
| 321 | G | A | -1.3529 | |
| 322 | C | A | -0.9399 | |
| 323 | G | A | -0.9961 | |
| 324 | G | A | -1.6330 | |
| 325 | D | A | -2.3074 | |
| 326 | V | A | -1.5611 | |
| 327 | N | A | -1.9254 | |
| 328 | P | A | -1.5970 | |
| 329 | E | A | -2.3529 | |
| 330 | T | A | -1.7391 | |
| 331 | D | A | 0.0000 | |
| 332 | A | A | -0.9368 | |
| 333 | N | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | Q | A | -0.5374 | |
| 337 | F | A | 0.0000 | |
| 338 | R | A | -1.8525 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.6351 | |
| 341 | K | A | -1.2166 | |
| 342 | P | A | -0.4273 | |
| 343 | L | A | 0.2581 | |
| 344 | A | A | -0.4052 | |
| 345 | Q | A | -1.9333 | |
| 346 | K | A | -2.7023 | |
| 347 | D | A | -2.3957 | |
| 348 | E | A | -3.2108 | |
| 349 | S | A | -2.4791 | |
| 350 | R | A | -2.8247 | |
| 351 | K | A | -2.0363 | |
| 352 | P | A | -1.4650 | |
| 353 | K | A | -1.5915 | |
| 354 | Y | A | 0.0552 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | -0.1282 | |
| 357 | S | A | 0.1961 | |
| 358 | Y | A | 0.2399 | |
| 359 | P | A | 0.0000 | |
| 360 | S | A | 0.0330 | |
| 361 | V | A | 1.0521 | |
| 362 | Q | A | -0.8203 | |
| 363 | H | A | -1.5467 | |
| 364 | E | A | -1.7857 | |
| 365 | R | A | -2.1389 | |
| 366 | I | A | -0.1436 | |
| 367 | Q | A | -0.8988 | |
| 368 | N | A | -0.0856 | |
| 369 | I | A | 1.6463 | |
| 370 | R | A | 0.4981 | |
| 371 | T | A | 0.0671 | |
| 372 | L | A | 0.0000 | |
| 373 | K | A | -0.9418 | |
| 374 | L | A | 0.0000 | |
| 375 | A | A | -0.8852 | |
| 376 | G | A | -1.2984 | |
| 377 | T | A | -1.1117 | |
| 378 | Q | A | -1.9317 | |
| 379 | D | A | -1.8903 | |
| 380 | E | A | -2.2134 | |
| 381 | Y | A | -1.1443 | |
| 382 | G | A | -1.3056 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | -1.0336 | |
| 385 | V | A | 0.0000 | |
| 386 | L | A | -0.7628 | |
| 387 | L | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | N | A | -1.6913 | |
| 390 | N | A | -2.3703 | |
| 391 | K | A | -2.5013 | |
| 392 | R | A | -2.9607 | |
| 393 | W | A | 0.0000 | |
| 394 | H | A | -2.0272 | |
| 395 | D | A | -1.8369 | |
| 396 | P | A | -0.8356 | |
| 397 | V | A | -0.3180 | |
| 398 | T | A | -0.1127 | |
| 399 | E | A | 0.0000 | |
| 400 | T | A | -0.4485 | |
| 401 | P | A | 0.0000 | |
| 402 | K | A | -2.1557 | |
| 403 | V | A | -1.2276 | |
| 404 | G | A | -1.0900 | |
| 405 | T | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | E | A | 0.0000 | |
| 408 | I | A | 0.7421 | |
| 409 | W | A | 0.0000 | |
| 410 | S | A | -0.0116 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | 0.0000 | |
| 414 | P | A | -0.9531 | |
| 415 | T | A | -1.1960 | |
| 416 | R | A | -1.9565 | |
| 417 | G | A | -1.2299 | |
| 418 | T | A | -0.7358 | |
| 419 | H | A | 0.0000 | |
| 420 | P | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | H | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | -0.2401 | |
| 428 | F | A | 0.0000 | |
| 429 | R | A | -0.5681 | |
| 430 | V | A | 0.0000 | |
| 431 | L | A | 0.0185 | |
| 432 | D | A | -0.1056 | |
| 433 | R | A | -0.3498 | |
| 434 | R | A | -0.6113 | |
| 435 | P | A | -0.2951 | |
| 436 | F | A | 0.0000 | |
| 437 | D | A | -0.8401 | |
| 438 | I | A | -1.0483 | |
| 439 | A | A | -1.8042 | |
| 440 | R | A | -3.1943 | |
| 441 | Y | A | 0.0000 | |
| 442 | Q | A | -2.9592 | |
| 443 | E | A | -3.4474 | |
| 444 | S | A | -2.7050 | |
| 445 | G | A | -2.4666 | |
| 446 | E | A | -2.6869 | |
| 447 | L | A | -0.8290 | |
| 448 | S | A | -0.4740 | |
| 449 | Y | A | 0.0784 | |
| 450 | T | A | -0.0727 | |
| 451 | G | A | -0.0965 | |
| 452 | P | A | -0.0340 | |
| 453 | A | A | 0.2901 | |
| 454 | V | A | 1.2953 | |
| 455 | P | A | 0.1792 | |
| 456 | P | A | -0.2069 | |
| 457 | P | A | -0.3748 | |
| 458 | P | A | -1.0802 | |
| 459 | S | A | 0.0000 | |
| 460 | E | A | -0.8786 | |
| 461 | K | A | -1.3161 | |
| 462 | G | A | 0.0000 | |
| 463 | W | A | 0.0000 | |
| 464 | K | A | 0.0000 | |
| 465 | D | A | 0.0000 | |
| 466 | T | A | 0.0000 | |
| 467 | I | A | 0.0000 | |
| 468 | Q | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | H | A | -0.9891 | |
| 471 | A | A | -0.9388 | |
| 472 | G | A | -0.6851 | |
| 473 | E | A | -0.7712 | |
| 474 | V | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | R | A | -0.5343 | |
| 477 | I | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | A | A | 0.0000 | |
| 480 | T | A | -0.5681 | |
| 481 | F | A | 0.0000 | |
| 482 | G | A | -0.4081 | |
| 483 | P | A | -0.3431 | |
| 484 | Y | A | -0.3094 | |
| 485 | S | A | -1.0042 | |
| 486 | G | A | -0.8632 | |
| 487 | R | A | -0.6253 | |
| 488 | Y | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | W | A | 0.0000 | |
| 491 | H | A | 0.0000 | |
| 492 | C | A | 0.0000 | |
| 493 | H | A | 0.0000 | |
| 494 | I | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | E | A | 0.0000 | |
| 497 | H | A | -0.0932 | |
| 498 | E | A | 0.0000 | |
| 499 | D | A | 0.0000 | |
| 500 | Y | A | -0.4185 | |
| 501 | D | A | -1.0375 | |
| 502 | M | A | 0.0000 | |
| 503 | M | A | 0.0000 | |
| 504 | R | A | 0.0000 | |
| 505 | P | A | 0.0000 | |
| 506 | M | A | 0.0000 | |
| 507 | D | A | -0.8946 | |
| 508 | I | A | 0.0000 | |
| 509 | T | A | -1.5878 | |
| 510 | D | A | -2.1819 |
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