| Chain sequence(s) |
A: MIESVDSFLARLQQRDPGQPEFHQAVEEVLRTLWPFLEANPRYLQSGILERMVEPERAVLFRVSWVDDQGKVQVNRGYRIQMSSAIGPYKGGLRFHPSVNLSVLKFLAFEQVFKNSLTSLPMGGGKGGSDFDPKGKSDAEVMRFCQAFMSELYRHIGADCDVPAGDIGVGAREIGFMFGQYKRLANQFTSVLTGKGMTYGGSLIRPEATGYGCVYFAEEMLKRQGLRVDGRRVAISGSGNVAQYAARKVMDLGGKVISLSDSEGTLYAEGGLTEAQWEAVMQLKNVARGRISELAEAFGLEFRKGQTPWSLPCDIALPCATQNELGIEDARTLLRNGCICVAEGANMPTTLAAVDLFIDAGILYAPGKASNAGGVAVSGLEMSQNAMRLLWTAGEVDSKLHNIMQSIHHACVHYGEEADGKVNYVKGANIAGFVKVADAMLAQGVV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | EQ278A,HK413A,SE398A,RQ247A,DE251A,GE394A,LM60A,AR297A,KQ71A,RS227A,AN139A,RK231A,QE282A,RK335A,AV58A,LF272A,AE275A,DE229A,VI228A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.400068 kcal/mol |
| 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] FoldX: Building mutant model (00:04:28)
[INFO] FoldX: Starting FoldX energy minimalization (00:14:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:17:16)
[INFO] Main: Simulation completed successfully. (00:17:20)
|
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 | 0.4482 | |
| 2 | I | A | -0.8075 | |
| 3 | E | A | -1.6802 | |
| 4 | S | A | -1.4293 | |
| 5 | V | A | -1.5590 | |
| 6 | D | A | -2.5539 | |
| 7 | S | A | -1.6841 | |
| 8 | F | A | 0.0000 | |
| 9 | L | A | -2.1121 | |
| 10 | A | A | -2.1023 | |
| 11 | R | A | -3.0947 | |
| 12 | L | A | 0.0000 | |
| 13 | Q | A | -2.8617 | |
| 14 | Q | A | -3.0021 | |
| 15 | R | A | -2.4798 | |
| 16 | D | A | -1.9152 | |
| 17 | P | A | -1.7873 | |
| 18 | G | A | -1.2368 | |
| 19 | Q | A | -1.1945 | |
| 20 | P | A | -1.2382 | |
| 21 | E | A | -1.1704 | |
| 22 | F | A | 0.0000 | |
| 23 | H | A | 0.0000 | |
| 24 | Q | A | -2.2182 | |
| 25 | A | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | E | A | -2.8907 | |
| 28 | E | A | -2.8671 | |
| 29 | V | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | R | A | -2.8208 | |
| 32 | T | A | -1.4908 | |
| 33 | L | A | 0.0000 | |
| 34 | W | A | -0.9585 | |
| 35 | P | A | -0.9910 | |
| 36 | F | A | -0.6575 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | -2.0202 | |
| 39 | A | A | -1.0953 | |
| 40 | N | A | -1.3256 | |
| 41 | P | A | -1.7298 | |
| 42 | R | A | -2.0436 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | -1.2340 | |
| 45 | Q | A | -1.5683 | |
| 46 | S | A | -0.9471 | |
| 47 | G | A | -0.6684 | |
| 48 | I | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | E | A | -1.6095 | |
| 51 | R | A | -1.3359 | |
| 52 | M | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | E | A | -2.3977 | |
| 55 | P | A | -1.9984 | |
| 56 | E | A | -2.3918 | |
| 57 | R | A | -1.8378 | |
| 58 | V | A | -0.0743 | mutated: AV58A |
| 59 | V | A | 0.3778 | |
| 60 | M | A | 0.1460 | mutated: LM60A |
| 61 | F | A | -0.9403 | |
| 62 | R | A | -2.1912 | |
| 63 | V | A | 0.0000 | |
| 64 | S | A | -0.0075 | |
| 65 | W | A | 0.0000 | |
| 66 | V | A | 0.4290 | |
| 67 | D | A | 0.0000 | |
| 68 | D | A | -2.5249 | |
| 69 | Q | A | -2.0868 | |
| 70 | G | A | -1.4156 | |
| 71 | Q | A | -0.8869 | mutated: KQ71A |
| 72 | V | A | 1.1528 | |
| 73 | Q | A | 0.8450 | |
| 74 | V | A | 0.4533 | |
| 75 | N | A | -1.2998 | |
| 76 | R | A | -2.3434 | |
| 77 | G | A | 0.0000 | |
| 78 | Y | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | Q | A | 0.0000 | |
| 82 | M | A | 0.0000 | |
| 83 | S | A | 0.0000 | |
| 84 | S | A | -0.3188 | |
| 85 | A | A | -0.2713 | |
| 86 | I | A | -0.1961 | |
| 87 | G | A | -0.3405 | |
| 88 | P | A | -0.5598 | |
| 89 | Y | A | 0.0000 | |
| 90 | K | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -0.1594 | |
| 95 | F | A | 0.0000 | |
| 96 | H | A | -0.9941 | |
| 97 | P | A | -1.2288 | |
| 98 | S | A | -0.7456 | |
| 99 | V | A | 0.0000 | |
| 100 | N | A | -1.0662 | |
| 101 | L | A | 0.0118 | |
| 102 | S | A | 0.0000 | |
| 103 | V | A | -0.0797 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | 0.0000 | |
| 106 | F | A | -0.0649 | |
| 107 | L | A | 0.1809 | |
| 108 | A | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | E | A | -0.4534 | |
| 111 | Q | A | -0.3236 | |
| 112 | V | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | K | A | -0.4279 | |
| 115 | N | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | S | A | -0.2226 | |
| 120 | L | A | 0.0453 | |
| 121 | P | A | -0.1607 | |
| 122 | M | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | K | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | G | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | D | A | -1.5687 | |
| 131 | F | A | 0.0000 | |
| 132 | D | A | -1.7444 | |
| 133 | P | A | 0.0000 | |
| 134 | K | A | -2.4224 | |
| 135 | G | A | -1.9505 | |
| 136 | K | A | -2.3662 | |
| 137 | S | A | -2.3064 | |
| 138 | D | A | -2.9496 | |
| 139 | N | A | -2.5307 | mutated: AN139A |
| 140 | E | A | -2.0127 | |
| 141 | V | A | 0.0000 | |
| 142 | M | A | -1.2052 | |
| 143 | R | A | -1.1200 | |
| 144 | F | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | Q | A | -0.5888 | |
| 147 | A | A | -0.6756 | |
| 148 | F | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | S | A | -0.9025 | |
| 151 | E | A | -1.5163 | |
| 152 | L | A | 0.0000 | |
| 153 | Y | A | -0.9417 | |
| 154 | R | A | -1.9733 | |
| 155 | H | A | -1.2694 | |
| 156 | I | A | 0.0000 | |
| 157 | G | A | -0.9573 | |
| 158 | A | A | -0.6143 | |
| 159 | D | A | -1.6795 | |
| 160 | C | A | -0.7205 | |
| 161 | D | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | A | A | -0.2797 | |
| 165 | G | A | -0.4206 | |
| 166 | D | A | 0.0080 | |
| 167 | I | A | 1.1414 | |
| 168 | G | A | -0.0794 | |
| 169 | V | A | 0.0000 | |
| 170 | G | A | -0.6057 | |
| 171 | A | A | -0.7464 | |
| 172 | R | A | -1.5322 | |
| 173 | E | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | G | A | -0.4222 | |
| 176 | F | A | -0.1367 | |
| 177 | M | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | G | A | -0.7320 | |
| 180 | Q | A | -1.0434 | |
| 181 | Y | A | 0.0000 | |
| 182 | K | A | -1.7604 | |
| 183 | R | A | -2.3161 | |
| 184 | L | A | -1.1966 | |
| 185 | A | A | -1.3754 | |
| 186 | N | A | -2.0958 | |
| 187 | Q | A | -1.3429 | |
| 188 | F | A | 0.6016 | |
| 189 | T | A | -0.1845 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | 0.0000 | |
| 194 | G | A | -0.4110 | |
| 195 | K | A | 0.0000 | |
| 196 | G | A | 0.2068 | |
| 197 | M | A | 1.0374 | |
| 198 | T | A | 0.4420 | |
| 199 | Y | A | 0.6717 | |
| 200 | G | A | 0.5610 | |
| 201 | G | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2299 | |
| 204 | I | A | -0.4291 | |
| 205 | R | A | -0.5190 | |
| 206 | P | A | -0.6123 | |
| 207 | E | A | -0.5454 | |
| 208 | A | A | 0.0000 | |
| 209 | T | A | -0.2079 | |
| 210 | G | A | 0.0000 | |
| 211 | Y | A | -0.0282 | |
| 212 | G | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | Y | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | E | A | -0.9685 | |
| 219 | E | A | -1.3685 | |
| 220 | M | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | K | A | -2.2715 | |
| 223 | R | A | -1.9051 | |
| 224 | Q | A | -1.8145 | |
| 225 | G | A | -1.3737 | |
| 226 | L | A | -0.9695 | |
| 227 | S | A | -1.2728 | mutated: RS227A |
| 228 | I | A | 0.0000 | mutated: VI228A |
| 229 | E | A | -2.4144 | mutated: DE229A |
| 230 | G | A | -1.6252 | |
| 231 | K | A | -1.4773 | mutated: RK231A |
| 232 | R | A | -1.6434 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | S | A | 0.0000 | |
| 239 | G | A | -0.9255 | |
| 240 | N | A | -1.2488 | |
| 241 | V | A | -0.3247 | |
| 242 | A | A | 0.0000 | |
| 243 | Q | A | 0.0000 | |
| 244 | Y | A | -0.1418 | |
| 245 | A | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | Q | A | -0.8573 | mutated: RQ247A |
| 248 | K | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | M | A | -1.5274 | |
| 251 | E | A | -2.0100 | mutated: DE251A |
| 252 | L | A | -1.3427 | |
| 253 | G | A | -1.7816 | |
| 254 | G | A | -1.8679 | |
| 255 | K | A | -2.0968 | |
| 256 | V | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | D | A | -1.3918 | |
| 262 | S | A | -1.3369 | |
| 263 | E | A | -2.0224 | |
| 264 | G | A | 0.0000 | |
| 265 | T | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | Y | A | -1.0366 | |
| 268 | A | A | 0.0000 | |
| 269 | E | A | -2.4420 | |
| 270 | G | A | -1.5971 | |
| 271 | G | A | -1.5137 | |
| 272 | F | A | 0.0000 | mutated: LF272A |
| 273 | T | A | -1.8944 | |
| 274 | E | A | -3.0344 | |
| 275 | E | A | -3.0905 | mutated: AE275A |
| 276 | Q | A | -2.1844 | |
| 277 | W | A | -1.8757 | |
| 278 | Q | A | -2.6755 | mutated: EQ278A |
| 279 | A | A | -2.2025 | |
| 280 | V | A | 0.0000 | |
| 281 | M | A | -1.7041 | |
| 282 | E | A | -1.9506 | mutated: QE282A |
| 283 | L | A | 0.0000 | |
| 284 | K | A | -1.9357 | |
| 285 | N | A | -1.4738 | |
| 286 | V | A | 0.1145 | |
| 287 | A | A | -0.8921 | |
| 288 | R | A | -2.2278 | |
| 289 | G | A | -2.1581 | |
| 290 | R | A | -2.6276 | |
| 291 | I | A | 0.0000 | |
| 292 | S | A | -2.7846 | |
| 293 | E | A | -3.3138 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | E | A | -3.5983 | |
| 297 | R | A | -3.1593 | mutated: AR297A |
| 298 | F | A | -1.9459 | |
| 299 | G | A | -1.9340 | |
| 300 | L | A | -1.9540 | |
| 301 | E | A | -2.4658 | |
| 302 | F | A | -2.0819 | |
| 303 | R | A | -2.2660 | |
| 304 | K | A | -2.9677 | |
| 305 | G | A | -2.2547 | |
| 306 | Q | A | -2.2105 | |
| 307 | T | A | -1.2845 | |
| 308 | P | A | 0.0000 | |
| 309 | W | A | 0.0000 | |
| 310 | S | A | -1.1590 | |
| 311 | L | A | 0.0000 | |
| 312 | P | A | -0.9800 | |
| 313 | C | A | 0.0000 | |
| 314 | D | A | -0.6729 | |
| 315 | I | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | P | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | A | A | -0.7059 | |
| 321 | T | A | -0.9400 | |
| 322 | Q | A | -1.5352 | |
| 323 | N | A | -1.5426 | |
| 324 | E | A | -1.0722 | |
| 325 | L | A | 0.0000 | |
| 326 | G | A | -0.8274 | |
| 327 | I | A | -0.8700 | |
| 328 | E | A | -2.3985 | |
| 329 | D | A | -1.9518 | |
| 330 | A | A | 0.0000 | |
| 331 | R | A | -2.8445 | |
| 332 | T | A | -2.1820 | |
| 333 | L | A | 0.0000 | |
| 334 | L | A | -1.4930 | |
| 335 | K | A | -2.3949 | mutated: RK335A |
| 336 | N | A | -1.5764 | |
| 337 | G | A | -0.9477 | |
| 338 | C | A | 0.0000 | |
| 339 | I | A | 0.4454 | |
| 340 | C | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | E | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | -0.6132 | |
| 346 | N | A | -1.0977 | |
| 347 | M | A | -0.2863 | |
| 348 | P | A | 0.0000 | |
| 349 | T | A | 0.0000 | |
| 350 | T | A | 0.2092 | |
| 351 | L | A | 1.0025 | |
| 352 | A | A | 0.2698 | |
| 353 | A | A | 0.0000 | |
| 354 | V | A | 0.0442 | |
| 355 | D | A | -1.4578 | |
| 356 | L | A | -1.0288 | |
| 357 | F | A | 0.0000 | |
| 358 | I | A | -1.0422 | |
| 359 | D | A | -2.0444 | |
| 360 | A | A | -1.0493 | |
| 361 | G | A | -1.0251 | |
| 362 | I | A | 0.0220 | |
| 363 | L | A | 0.1718 | |
| 364 | Y | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | P | A | -0.0613 | |
| 367 | G | A | 0.0000 | |
| 368 | K | A | -0.4332 | |
| 369 | A | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | N | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | G | A | -0.1467 | |
| 375 | V | A | 0.0567 | |
| 376 | A | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | S | A | -0.0460 | |
| 379 | G | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | E | A | 0.0000 | |
| 382 | M | A | -0.3264 | |
| 383 | S | A | 0.1320 | |
| 384 | Q | A | 0.0000 | |
| 385 | N | A | 0.0690 | |
| 386 | A | A | -0.3093 | |
| 387 | M | A | 0.2475 | |
| 388 | R | A | -0.6796 | |
| 389 | L | A | 1.3036 | |
| 390 | L | A | 1.5523 | |
| 391 | W | A | 0.4636 | |
| 392 | T | A | -0.6177 | |
| 393 | A | A | -1.3187 | |
| 394 | E | A | -2.9273 | mutated: GE394A |
| 395 | E | A | -2.6402 | |
| 396 | V | A | 0.0000 | |
| 397 | D | A | -2.5433 | |
| 398 | E | A | -3.4624 | mutated: SE398A |
| 399 | K | A | -2.5615 | |
| 400 | L | A | 0.0000 | |
| 401 | H | A | -1.8502 | |
| 402 | N | A | -2.0242 | |
| 403 | I | A | 0.0000 | |
| 404 | M | A | 0.0000 | |
| 405 | Q | A | -1.2549 | |
| 406 | S | A | -0.9701 | |
| 407 | I | A | 0.0000 | |
| 408 | H | A | 0.0000 | |
| 409 | H | A | -1.5000 | |
| 410 | A | A | -1.1804 | |
| 411 | C | A | 0.0000 | |
| 412 | V | A | -1.8572 | |
| 413 | K | A | -2.2234 | mutated: HK413A |
| 414 | Y | A | -1.2457 | |
| 415 | G | A | 0.0000 | |
| 416 | E | A | -3.1453 | |
| 417 | E | A | -3.2866 | |
| 418 | A | A | -2.1638 | |
| 419 | D | A | -2.9998 | |
| 420 | G | A | -2.6328 | |
| 421 | K | A | -3.0904 | |
| 422 | V | A | -2.0307 | |
| 423 | N | A | -1.1785 | |
| 424 | Y | A | 0.0000 | |
| 425 | V | A | 0.1697 | |
| 426 | K | A | -0.5935 | |
| 427 | G | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | N | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | G | A | 0.0000 | |
| 433 | F | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | K | A | -0.7440 | |
| 436 | V | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | D | A | -1.1138 | |
| 439 | A | A | -0.7220 | |
| 440 | M | A | 0.0000 | |
| 441 | L | A | -0.0132 | |
| 442 | A | A | -0.4123 | |
| 443 | Q | A | -0.4020 | |
| 444 | G | A | 0.6536 | |
| 445 | V | A | 2.2630 | |
| 446 | V | A | 2.0974 |
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