| Chain sequence(s) |
A: MSNTTVLLDKKTTEIIKATVPVLKEHGEAITKHFYKILLENNPELKNVFNQTNQRKGAQSKALANTVYAAAANIEKLEEILPHVKQIAHKHVSLNIKPEQYPIVGKYLLIAIKEVLGDAATDEIIEAWEKAYFVIADIFISVEKEMYNEKKNQIGGWTGFRDFKVIKKVKESKEITSFYLKPDDNLPITTFIPGQYITIKAQIESEAYVHLRQYSLSTAPGKDYYRISVKREASNQPIGVVSNYLHTSVEVGSVLPISAPAGDFILDERDHRPLVLISGGVGLTPIMSMLESVVEHQPNRNVVFIHAAKSIDHQAMRKRVSEIAKSKEQVKQYVVYSNPTNRTDGDKQGYIDYEWLKEVIPTKDAAFYLCGPKPFMSAINNDLQNMNIAQNDIHMELFGPLEPIAK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:55)
[INFO] Main: Simulation completed successfully. (00:18:59)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.5862 | |
| 2 | S | A | -0.3511 | |
| 3 | N | A | -0.8786 | |
| 4 | T | A | 0.1187 | |
| 5 | T | A | 0.6784 | |
| 6 | V | A | 1.9726 | |
| 7 | L | A | 1.3385 | |
| 8 | L | A | -0.6293 | |
| 9 | D | A | -2.5752 | |
| 10 | K | A | -3.6282 | |
| 11 | K | A | -3.5032 | |
| 12 | T | A | 0.0000 | |
| 13 | T | A | -2.7930 | |
| 14 | E | A | -3.2785 | |
| 15 | I | A | -1.9320 | |
| 16 | I | A | 0.0000 | |
| 17 | K | A | -1.8364 | |
| 18 | A | A | -0.8043 | |
| 19 | T | A | -0.5432 | |
| 20 | V | A | 0.0000 | |
| 21 | P | A | -1.1511 | |
| 22 | V | A | -0.7865 | |
| 23 | L | A | 0.0000 | |
| 24 | K | A | -2.6726 | |
| 25 | E | A | -2.7695 | |
| 26 | H | A | -1.6673 | |
| 27 | G | A | 0.0000 | |
| 28 | E | A | -2.3943 | |
| 29 | A | A | -1.3396 | |
| 30 | I | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | K | A | -2.8117 | |
| 33 | H | A | -1.7200 | |
| 34 | F | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | K | A | -2.7472 | |
| 37 | I | A | -1.7334 | |
| 38 | L | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | E | A | -3.1014 | |
| 41 | N | A | -2.5188 | |
| 42 | N | A | -1.8647 | |
| 43 | P | A | -2.0006 | |
| 44 | E | A | -2.3216 | |
| 45 | L | A | 0.0000 | |
| 46 | K | A | -1.1520 | |
| 47 | N | A | -0.8850 | |
| 48 | V | A | -0.2670 | |
| 49 | F | A | -0.1678 | |
| 50 | N | A | -0.6867 | |
| 51 | Q | A | -1.1598 | |
| 52 | T | A | -1.3824 | |
| 53 | N | A | -1.8089 | |
| 54 | Q | A | -2.5152 | |
| 55 | R | A | -3.1853 | |
| 56 | K | A | -2.8846 | |
| 57 | G | A | -2.3929 | |
| 58 | A | A | -1.5947 | |
| 59 | Q | A | -1.5999 | |
| 60 | S | A | 0.0000 | |
| 61 | K | A | -1.7474 | |
| 62 | A | A | 0.0000 | |
| 63 | L | A | -0.5662 | |
| 64 | A | A | 0.0000 | |
| 65 | N | A | -1.1815 | |
| 66 | T | A | -0.2405 | |
| 67 | V | A | 0.1291 | |
| 68 | Y | A | -0.1527 | |
| 69 | A | A | -0.4010 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | A | A | -0.7909 | |
| 73 | N | A | -2.2071 | |
| 74 | I | A | 0.0000 | |
| 75 | E | A | -3.3038 | |
| 76 | K | A | -3.4815 | |
| 77 | L | A | 0.0000 | |
| 78 | E | A | -3.4567 | |
| 79 | E | A | -3.4660 | |
| 80 | I | A | 0.0000 | |
| 81 | L | A | -1.4823 | |
| 82 | P | A | -1.4847 | |
| 83 | H | A | -1.3073 | |
| 84 | V | A | 0.0000 | |
| 85 | K | A | -1.4339 | |
| 86 | Q | A | -1.3713 | |
| 87 | I | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | H | A | -0.9389 | |
| 90 | K | A | -0.9575 | |
| 91 | H | A | -0.5894 | |
| 92 | V | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | L | A | -0.2509 | |
| 95 | N | A | -0.4571 | |
| 96 | I | A | -0.6939 | |
| 97 | K | A | -1.6091 | |
| 98 | P | A | -1.6561 | |
| 99 | E | A | -2.0846 | |
| 100 | Q | A | -1.1535 | |
| 101 | Y | A | 0.0000 | |
| 102 | P | A | -0.7575 | |
| 103 | I | A | -0.5575 | |
| 104 | V | A | -0.2125 | |
| 105 | G | A | 0.0000 | |
| 106 | K | A | -1.1911 | |
| 107 | Y | A | -0.5737 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | I | A | -0.3183 | |
| 111 | A | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | K | A | -1.9091 | |
| 114 | E | A | -2.1393 | |
| 115 | V | A | -0.8023 | |
| 116 | L | A | -0.8500 | |
| 117 | G | A | -1.7867 | |
| 118 | D | A | -2.4157 | |
| 119 | A | A | -1.2125 | |
| 120 | A | A | 0.0000 | |
| 121 | T | A | -2.0838 | |
| 122 | D | A | -3.1443 | |
| 123 | E | A | -2.7896 | |
| 124 | I | A | -1.6024 | |
| 125 | I | A | -1.9738 | |
| 126 | E | A | -3.0695 | |
| 127 | A | A | 0.0000 | |
| 128 | W | A | 0.0000 | |
| 129 | E | A | -1.9428 | |
| 130 | K | A | -1.0761 | |
| 131 | A | A | 0.0000 | |
| 132 | Y | A | -0.4597 | |
| 133 | F | A | 0.2543 | |
| 134 | V | A | 0.0000 | |
| 135 | I | A | 0.1114 | |
| 136 | A | A | 0.0000 | |
| 137 | D | A | -0.9434 | |
| 138 | I | A | -0.4019 | |
| 139 | F | A | -0.4586 | |
| 140 | I | A | -1.0869 | |
| 141 | S | A | -1.2464 | |
| 142 | V | A | -1.0589 | |
| 143 | E | A | 0.0000 | |
| 144 | K | A | -2.5874 | |
| 145 | E | A | -3.3334 | |
| 146 | M | A | -2.6213 | |
| 147 | Y | A | -2.7757 | |
| 148 | N | A | -4.0563 | |
| 149 | E | A | -4.1458 | |
| 150 | K | A | -2.8462 | |
| 151 | K | A | -3.3961 | |
| 152 | N | A | -2.8017 | |
| 153 | Q | A | -1.2356 | |
| 154 | I | A | 1.3282 | |
| 155 | G | A | 0.6151 | |
| 156 | G | A | -0.8820 | |
| 157 | W | A | 0.0000 | |
| 158 | T | A | -1.0794 | |
| 159 | G | A | -0.1521 | |
| 160 | F | A | -0.1586 | |
| 161 | R | A | -1.0790 | |
| 162 | D | A | -2.1668 | |
| 163 | F | A | 0.0000 | |
| 164 | K | A | -1.5783 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | -0.4177 | |
| 167 | K | A | -1.2167 | |
| 168 | K | A | -1.1064 | |
| 169 | V | A | -0.7611 | |
| 170 | K | A | -2.0026 | |
| 171 | E | A | -2.3284 | |
| 172 | S | A | -2.3330 | |
| 173 | K | A | -2.9327 | |
| 174 | E | A | -2.4518 | |
| 175 | I | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | Y | A | -0.1753 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -1.8696 | |
| 182 | P | A | -2.1609 | |
| 183 | D | A | -3.0845 | |
| 184 | D | A | -2.5922 | |
| 185 | N | A | -2.0358 | |
| 186 | L | A | 0.1374 | |
| 187 | P | A | 0.1669 | |
| 188 | I | A | 0.0490 | |
| 189 | T | A | 0.0000 | |
| 190 | T | A | -0.0395 | |
| 191 | F | A | 0.0000 | |
| 192 | I | A | 0.7144 | |
| 193 | P | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | Q | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -0.9447 | |
| 201 | A | A | 0.0000 | |
| 202 | Q | A | -1.6475 | |
| 203 | I | A | -1.3445 | |
| 204 | E | A | -2.2119 | |
| 205 | S | A | -1.4432 | |
| 206 | E | A | -1.2723 | |
| 207 | A | A | -0.6145 | |
| 208 | Y | A | -0.5784 | |
| 209 | V | A | -0.7760 | |
| 210 | H | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | R | A | -0.5355 | |
| 213 | Q | A | -0.5018 | |
| 214 | Y | A | -0.0574 | |
| 215 | S | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | T | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | P | A | -0.4882 | |
| 221 | G | A | -1.0652 | |
| 222 | K | A | -1.7121 | |
| 223 | D | A | -2.1907 | |
| 224 | Y | A | -1.0792 | |
| 225 | Y | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | K | A | -1.7364 | |
| 231 | R | A | -2.0409 | |
| 232 | E | A | -2.1019 | |
| 233 | A | A | -1.1259 | |
| 234 | S | A | -1.2231 | |
| 235 | N | A | -1.8976 | |
| 236 | Q | A | -1.5789 | |
| 237 | P | A | -1.0279 | |
| 238 | I | A | 0.2444 | |
| 239 | G | A | -0.3823 | |
| 240 | V | A | 0.4183 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | N | A | -0.3698 | |
| 244 | Y | A | -0.0774 | |
| 245 | L | A | 0.0000 | |
| 246 | H | A | -1.1794 | |
| 247 | T | A | -0.5912 | |
| 248 | S | A | -0.6654 | |
| 249 | V | A | 0.0000 | |
| 250 | E | A | -1.3493 | |
| 251 | V | A | 0.3747 | |
| 252 | G | A | -0.1917 | |
| 253 | S | A | -0.1932 | |
| 254 | V | A | -0.0962 | |
| 255 | L | A | 0.0000 | |
| 256 | P | A | -0.9688 | |
| 257 | I | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | D | A | -1.0955 | |
| 264 | F | A | 0.0000 | |
| 265 | I | A | 0.3537 | |
| 266 | L | A | 0.0000 | |
| 267 | D | A | -1.5566 | |
| 268 | E | A | -2.4240 | |
| 269 | R | A | -2.9786 | |
| 270 | D | A | -2.3035 | |
| 271 | H | A | -2.5048 | |
| 272 | R | A | -1.9845 | |
| 273 | P | A | -1.8095 | |
| 274 | L | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | G | A | -0.4372 | |
| 281 | V | A | 0.0717 | |
| 282 | G | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | M | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | E | A | -2.4928 | |
| 296 | H | A | -2.2563 | |
| 297 | Q | A | 0.0000 | |
| 298 | P | A | -2.1287 | |
| 299 | N | A | -2.4923 | |
| 300 | R | A | 0.0000 | |
| 301 | N | A | -2.5614 | |
| 302 | V | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | F | A | 0.0000 | |
| 305 | I | A | 0.0000 | |
| 306 | H | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | K | A | -2.2939 | |
| 310 | S | A | 0.0000 | |
| 311 | I | A | -1.5676 | |
| 312 | D | A | -2.5551 | |
| 313 | H | A | -2.1863 | |
| 314 | Q | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | R | A | -3.4145 | |
| 318 | K | A | -3.6205 | |
| 319 | R | A | -3.1123 | |
| 320 | V | A | 0.0000 | |
| 321 | S | A | -3.0448 | |
| 322 | E | A | -3.5414 | |
| 323 | I | A | 0.0000 | |
| 324 | A | A | -2.6462 | |
| 325 | K | A | -3.1939 | |
| 326 | S | A | -2.1745 | |
| 327 | K | A | -2.7940 | |
| 328 | E | A | -3.2081 | |
| 329 | Q | A | -2.6405 | |
| 330 | V | A | 0.0000 | |
| 331 | K | A | -2.6289 | |
| 332 | Q | A | -1.4247 | |
| 333 | Y | A | -0.9392 | |
| 334 | V | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | Y | A | 0.0000 | |
| 337 | S | A | -1.5363 | |
| 338 | N | A | -2.3800 | |
| 339 | P | A | -2.4441 | |
| 340 | T | A | -1.8052 | |
| 341 | N | A | -2.5838 | |
| 342 | R | A | -3.0299 | |
| 343 | T | A | -2.0999 | |
| 344 | D | A | -2.1273 | |
| 345 | G | A | -2.0297 | |
| 346 | D | A | -2.4325 | |
| 347 | K | A | -2.1784 | |
| 348 | Q | A | -2.6970 | |
| 349 | G | A | -1.1261 | |
| 350 | Y | A | -0.2796 | |
| 351 | I | A | 0.0000 | |
| 352 | D | A | -1.2869 | |
| 353 | Y | A | -2.1188 | |
| 354 | E | A | -2.8372 | |
| 355 | W | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | K | A | -3.2468 | |
| 358 | E | A | -2.9113 | |
| 359 | V | A | -1.6609 | |
| 360 | I | A | 0.0000 | |
| 361 | P | A | -1.5018 | |
| 362 | T | A | -1.7212 | |
| 363 | K | A | -2.8849 | |
| 364 | D | A | -2.7273 | |
| 365 | A | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | Y | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | G | A | 0.0000 | |
| 372 | P | A | -0.4500 | |
| 373 | K | A | -1.0639 | |
| 374 | P | A | -0.8013 | |
| 375 | F | A | 0.0000 | |
| 376 | M | A | 0.0000 | |
| 377 | S | A | -0.9980 | |
| 378 | A | A | -0.7804 | |
| 379 | I | A | 0.0000 | |
| 380 | N | A | -1.5627 | |
| 381 | N | A | -2.3117 | |
| 382 | D | A | -2.2092 | |
| 383 | L | A | 0.0000 | |
| 384 | Q | A | -3.0673 | |
| 385 | N | A | -2.5804 | |
| 386 | M | A | 0.0000 | |
| 387 | N | A | -2.6851 | |
| 388 | I | A | 0.0000 | |
| 389 | A | A | -2.0438 | |
| 390 | Q | A | -2.2773 | |
| 391 | N | A | -1.9315 | |
| 392 | D | A | -1.6185 | |
| 393 | I | A | -0.9393 | |
| 394 | H | A | -0.6428 | |
| 395 | M | A | 0.0698 | |
| 396 | E | A | 0.1405 | |
| 397 | L | A | 0.5749 | |
| 398 | F | A | 1.1566 | |
| 399 | G | A | 0.1959 | |
| 400 | P | A | -0.0577 | |
| 401 | L | A | -0.0822 | |
| 402 | E | A | -0.9997 | |
| 403 | P | A | -0.7413 | |
| 404 | I | A | -0.6906 | |
| 405 | A | A | -1.1071 | |
| 406 | K | A | -1.9850 |
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