| Chain sequence(s) |
A: MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK
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 (00:10:55)
[INFO] Main: Simulation completed successfully. (00:10:59)
|
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 | 0.9392 | |
| 2 | S | A | 0.5084 | |
| 3 | T | A | 0.8089 | |
| 4 | A | A | 1.1359 | |
| 5 | V | A | 1.8054 | |
| 6 | L | A | 1.1377 | |
| 7 | E | A | -1.3108 | |
| 8 | N | A | -1.7478 | |
| 9 | P | A | -1.4195 | |
| 10 | G | A | -1.4728 | |
| 11 | L | A | 0.0000 | |
| 12 | G | A | -1.1456 | |
| 13 | R | A | -1.6195 | |
| 14 | K | A | -2.0921 | |
| 15 | L | A | -0.6193 | |
| 16 | S | A | -1.0041 | |
| 17 | D | A | -1.2955 | |
| 18 | F | A | 0.6010 | |
| 19 | G | A | -0.3898 | |
| 20 | Q | A | -1.1103 | |
| 21 | E | A | -1.5926 | |
| 22 | T | A | -1.1619 | |
| 23 | S | A | -0.5849 | |
| 24 | Y | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | E | A | -1.9878 | |
| 27 | D | A | -1.1972 | |
| 28 | N | A | -1.0612 | |
| 29 | C | A | -0.9140 | |
| 30 | N | A | -1.4836 | |
| 31 | Q | A | -1.8354 | |
| 32 | N | A | -2.1396 | |
| 33 | G | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | F | A | 0.0000 | |
| 40 | S | A | -1.0223 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -3.5010 | |
| 43 | E | A | -3.7279 | |
| 44 | E | A | -2.4616 | |
| 45 | V | A | 0.0342 | |
| 46 | G | A | -0.6413 | |
| 47 | A | A | -1.1994 | |
| 48 | L | A | -1.0085 | |
| 49 | A | A | -0.9934 | |
| 50 | K | A | -1.9008 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -1.7470 | |
| 53 | R | A | -3.6258 | |
| 54 | L | A | 0.0000 | |
| 55 | F | A | 0.0000 | |
| 56 | E | A | -4.3603 | |
| 57 | E | A | -3.9937 | |
| 58 | N | A | -3.0931 | |
| 59 | D | A | -3.7293 | |
| 60 | V | A | 0.0000 | |
| 61 | N | A | -2.5715 | |
| 62 | L | A | -1.1581 | |
| 63 | T | A | -0.5912 | |
| 64 | H | A | -0.9350 | |
| 65 | I | A | 0.0000 | |
| 66 | E | A | -0.8609 | |
| 67 | S | A | -0.7332 | |
| 68 | R | A | -1.5152 | |
| 69 | P | A | -2.3249 | |
| 70 | S | A | -2.5285 | |
| 71 | R | A | -2.8545 | |
| 72 | L | A | -2.4232 | |
| 73 | K | A | -3.2769 | |
| 74 | K | A | -3.6674 | |
| 75 | D | A | -3.8780 | |
| 76 | E | A | -3.4627 | |
| 77 | Y | A | -2.1133 | |
| 78 | E | A | -1.3437 | |
| 79 | F | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | T | A | 0.0000 | |
| 82 | H | A | -0.5771 | |
| 83 | L | A | 0.0000 | |
| 84 | D | A | -1.6753 | |
| 85 | K | A | -2.5887 | |
| 86 | R | A | -2.6470 | |
| 87 | S | A | -1.4617 | |
| 88 | L | A | -0.5250 | |
| 89 | P | A | -0.5845 | |
| 90 | A | A | -0.8699 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | -0.5467 | |
| 93 | N | A | -0.9996 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -2.4911 | |
| 97 | I | A | -1.8328 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -2.5855 | |
| 100 | H | A | -2.7713 | |
| 101 | D | A | -2.6685 | |
| 102 | I | A | -1.7325 | |
| 103 | G | A | -1.8466 | |
| 104 | A | A | -1.3410 | |
| 105 | T | A | -0.5755 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | -0.5364 | |
| 108 | E | A | -0.7990 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | R | A | 0.0000 | |
| 112 | D | A | -2.8675 | |
| 113 | K | A | -2.9716 | |
| 114 | K | A | -3.7615 | |
| 115 | K | A | -3.6914 | |
| 116 | D | A | -3.1504 | |
| 117 | T | A | -2.3530 | |
| 118 | V | A | -1.3039 | |
| 119 | P | A | -1.3663 | |
| 120 | W | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | R | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | Q | A | -1.7765 | |
| 127 | E | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -1.3613 | |
| 130 | R | A | -1.1498 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | N | A | -0.6055 | |
| 134 | Q | A | -0.4691 | |
| 135 | I | A | 0.0785 | |
| 136 | L | A | -0.1276 | |
| 137 | S | A | -0.5358 | |
| 138 | Y | A | -0.6903 | |
| 139 | G | A | 0.0000 | |
| 140 | A | A | -1.3725 | |
| 141 | E | A | -2.1976 | |
| 142 | L | A | -1.9107 | |
| 143 | D | A | -2.5816 | |
| 144 | A | A | -1.9226 | |
| 145 | D | A | -2.3707 | |
| 146 | H | A | 0.0000 | |
| 147 | P | A | -1.2799 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | -1.1489 | |
| 150 | K | A | -1.6920 | |
| 151 | D | A | -0.8483 | |
| 152 | P | A | -0.1632 | |
| 153 | V | A | 1.0315 | |
| 154 | Y | A | -0.1213 | |
| 155 | R | A | -1.0887 | |
| 156 | A | A | -0.5473 | |
| 157 | R | A | -0.9040 | |
| 158 | R | A | 0.0000 | |
| 159 | K | A | -2.3525 | |
| 160 | Q | A | -2.2379 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | D | A | -2.4945 | |
| 164 | I | A | -1.5701 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | -1.0548 | |
| 167 | N | A | -1.7743 | |
| 168 | Y | A | 0.0000 | |
| 169 | R | A | -2.2124 | |
| 170 | H | A | -1.7705 | |
| 171 | G | A | -1.5889 | |
| 172 | Q | A | -1.7506 | |
| 173 | P | A | -1.5475 | |
| 174 | I | A | 0.0000 | |
| 175 | P | A | -1.2341 | |
| 176 | R | A | -2.4787 | |
| 177 | V | A | 0.0000 | |
| 178 | E | A | -2.4061 | |
| 179 | Y | A | 0.0000 | |
| 180 | M | A | -1.8492 | |
| 181 | E | A | -3.6015 | |
| 182 | E | A | -3.4322 | |
| 183 | E | A | 0.0000 | |
| 184 | K | A | -3.6014 | |
| 185 | K | A | -3.8256 | |
| 186 | T | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | G | A | -2.9563 | |
| 189 | T | A | -1.5294 | |
| 190 | V | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | K | A | -2.6122 | |
| 193 | T | A | -0.8312 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -1.7275 | |
| 196 | S | A | -1.0341 | |
| 197 | L | A | -0.7884 | |
| 198 | Y | A | 0.0000 | |
| 199 | K | A | -1.8567 | |
| 200 | T | A | -1.0122 | |
| 201 | H | A | -0.5401 | |
| 202 | A | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | Y | A | 0.4366 | |
| 205 | E | A | -0.3381 | |
| 206 | Y | A | 0.0000 | |
| 207 | N | A | -0.8972 | |
| 208 | H | A | -0.7704 | |
| 209 | I | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | P | A | -0.6227 | |
| 212 | L | A | -0.1067 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.1804 | |
| 215 | K | A | -1.2524 | |
| 216 | Y | A | 0.4129 | |
| 217 | C | A | 0.0000 | |
| 218 | G | A | -1.0990 | |
| 219 | F | A | 0.0000 | |
| 220 | H | A | -2.8543 | |
| 221 | E | A | -4.0387 | |
| 222 | D | A | -3.9775 | |
| 223 | N | A | -2.6180 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | Q | A | -1.2299 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -1.4221 | |
| 229 | D | A | -1.0964 | |
| 230 | V | A | 0.0000 | |
| 231 | S | A | 0.0000 | |
| 232 | Q | A | -1.5862 | |
| 233 | F | A | -0.4694 | |
| 234 | L | A | 0.0000 | |
| 235 | Q | A | -1.3032 | |
| 236 | T | A | -0.6128 | |
| 237 | C | A | -0.5613 | |
| 238 | T | A | -0.9865 | |
| 239 | G | A | -1.1545 | |
| 240 | F | A | 0.0000 | |
| 241 | R | A | -0.8252 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | L | A | 0.3453 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | D | A | -0.2175 | |
| 254 | F | A | 0.2400 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | R | A | -0.6016 | |
| 262 | V | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | H | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | H | A | -0.9247 | |
| 272 | G | A | -1.7215 | |
| 273 | S | A | -1.0804 | |
| 274 | K | A | -1.4457 | |
| 275 | P | A | -0.6919 | |
| 276 | M | A | 0.7148 | |
| 277 | Y | A | 0.5038 | |
| 278 | T | A | -0.0605 | |
| 279 | P | A | -0.5653 | |
| 280 | E | A | -0.2416 | |
| 281 | P | A | -0.2335 | |
| 282 | D | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | H | A | -0.1750 | |
| 286 | E | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | D | A | -1.2854 | |
| 297 | R | A | -2.0873 | |
| 298 | S | A | -1.5263 | |
| 299 | F | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | Q | A | -1.0933 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | E | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | L | A | -0.1175 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | P | A | -1.4165 | |
| 315 | D | A | -2.6513 | |
| 316 | E | A | -2.6547 | |
| 317 | Y | A | -1.5565 | |
| 318 | I | A | 0.0000 | |
| 319 | E | A | -1.8454 | |
| 320 | K | A | -1.2557 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | W | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | E | A | -0.0999 | |
| 331 | F | A | 0.2684 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | K | A | -2.3628 | |
| 336 | Q | A | -1.7780 | |
| 337 | G | A | -2.0401 | |
| 338 | D | A | -2.3064 | |
| 339 | S | A | -1.3266 | |
| 340 | I | A | -0.8081 | |
| 341 | K | A | -0.2296 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | S | A | 0.8122 | |
| 351 | F | A | 1.1709 | |
| 352 | G | A | 0.5893 | |
| 353 | E | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.3968 | |
| 356 | Y | A | -0.4746 | |
| 357 | C | A | 0.0000 | |
| 358 | L | A | -0.4082 | |
| 359 | S | A | -1.6307 | |
| 360 | E | A | -2.7753 | |
| 361 | K | A | -2.8386 | |
| 362 | P | A | 0.0000 | |
| 363 | K | A | -1.9960 | |
| 364 | L | A | -0.4034 | |
| 365 | L | A | 0.1469 | |
| 366 | P | A | -0.7079 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -2.0078 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -2.6392 | |
| 371 | K | A | -2.3756 | |
| 372 | T | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | I | A | 0.4580 | |
| 375 | Q | A | -0.6423 | |
| 376 | N | A | -1.1001 | |
| 377 | Y | A | 0.0000 | |
| 378 | T | A | -0.6715 | |
| 379 | V | A | -0.2337 | |
| 380 | T | A | -0.7037 | |
| 381 | E | A | -1.0758 | |
| 382 | F | A | 0.5549 | |
| 383 | Q | A | 0.0000 | |
| 384 | P | A | -0.7075 | |
| 385 | L | A | -0.5295 | |
| 386 | Y | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | E | A | -2.7839 | |
| 391 | S | A | -2.0606 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -2.7193 | |
| 394 | D | A | -2.9347 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | -2.7464 | |
| 397 | E | A | -3.8368 | |
| 398 | K | A | -3.3927 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | -3.2174 | |
| 401 | N | A | -2.8431 | |
| 402 | F | A | 0.0000 | |
| 403 | A | A | -1.3397 | |
| 404 | A | A | -0.9215 | |
| 405 | T | A | -0.6126 | |
| 406 | I | A | 0.0000 | |
| 407 | P | A | -0.4665 | |
| 408 | R | A | -0.5729 | |
| 409 | P | A | -0.8449 | |
| 410 | F | A | 0.0000 | |
| 411 | S | A | -0.9301 | |
| 412 | V | A | 0.0000 | |
| 413 | R | A | -0.5049 | |
| 414 | Y | A | -0.2299 | |
| 415 | D | A | -0.2125 | |
| 416 | P | A | -0.0322 | |
| 417 | Y | A | 0.9548 | |
| 418 | T | A | 0.1602 | |
| 419 | Q | A | -0.5380 | |
| 420 | R | A | -0.5550 | |
| 421 | I | A | 0.0000 | |
| 422 | E | A | -0.8424 | |
| 423 | V | A | -0.4878 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -2.0859 | |
| 426 | N | A | -2.0611 | |
| 427 | T | A | -1.2219 | |
| 428 | Q | A | -1.4939 | |
| 429 | Q | A | -0.9536 | |
| 430 | L | A | -0.1116 | |
| 431 | K | A | -1.1728 | |
| 432 | I | A | 0.0000 | |
| 433 | L | A | 0.1606 | |
| 434 | A | A | -0.8164 | |
| 435 | D | A | -1.9725 | |
| 436 | S | A | -0.9381 | |
| 437 | I | A | 0.0231 | |
| 438 | N | A | -1.1032 | |
| 439 | S | A | -0.7930 | |
| 440 | E | A | -0.5542 | |
| 441 | I | A | 1.1071 | |
| 442 | G | A | 0.9088 | |
| 443 | I | A | 2.2744 | |
| 444 | L | A | 1.9561 | |
| 445 | C | A | 1.4719 | |
| 446 | S | A | 0.8446 | |
| 447 | A | A | 0.8611 | |
| 448 | L | A | 0.7491 | |
| 449 | Q | A | -1.2350 | |
| 450 | K | A | -1.5050 | |
| 451 | I | A | 0.2831 | |
| 452 | K | A | -1.4433 |
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