| Chain sequence(s) |
A: MAGGGGGEGKVACAAWIRRREEKEKATRVFAAYGRAGSPPAVEVLGFDSKECSLSEPLARAELGEEPGDAPRGITVHPSGDELVCATAKGCRLFKLIFEEFTVRLISRDAPPLESVGPQKCLAFSTDGSKFAIGGEDGHLRIFHWPSMNVLLDEPKAHKSFRDMDISLDSEFLVSTSTDGSARIWKIDEGVPLVNLTRSADEKIECCRFSRDGMKPFLFCTVAKGNKVVTVVWNISDWSRIGYKRLLGKPISTLSVSMDGKYLALGSHDGDFCAVDVKKMDVSHWSKKVHLGSPVSSIEFCPTERAVISTSHQWGAELTKLNVPADWKEWQVWLILLSLFLVSAILFYMFYERSDSFWNFPMGQHQPAKPWSVMKESPPVPEDQNPW
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 (00:10:02)
[INFO] Main: Simulation completed successfully. (00:10:05)
|
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 | 0.8950 | |
| 2 | A | A | 0.1583 | |
| 3 | G | A | -0.5668 | |
| 4 | G | A | -0.9657 | |
| 5 | G | A | -1.4145 | |
| 6 | G | A | -1.7506 | |
| 7 | G | A | -2.0471 | |
| 8 | E | A | -2.7853 | |
| 9 | G | A | -2.1864 | |
| 10 | K | A | -2.4687 | |
| 11 | V | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | C | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | R | A | -1.9683 | |
| 19 | R | A | -2.9548 | |
| 20 | R | A | -4.5526 | |
| 21 | E | A | -4.8859 | |
| 22 | E | A | -4.6541 | |
| 23 | K | A | -4.4082 | |
| 24 | E | A | -4.5438 | |
| 25 | K | A | -4.4507 | |
| 26 | A | A | -3.3113 | |
| 27 | T | A | -3.1374 | |
| 28 | R | A | -3.3348 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | -0.5051 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | Y | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | R | A | -1.4939 | |
| 36 | A | A | -1.3100 | |
| 37 | G | A | -1.5149 | |
| 38 | S | A | -1.8222 | |
| 39 | P | A | -1.8876 | |
| 40 | P | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | E | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | G | A | -0.6776 | |
| 47 | F | A | -1.3523 | |
| 48 | D | A | -2.6755 | |
| 49 | S | A | -2.4970 | |
| 50 | K | A | -3.1369 | |
| 51 | E | A | -3.2000 | |
| 52 | C | A | -2.1358 | |
| 53 | S | A | -1.5244 | |
| 54 | L | A | -0.8381 | |
| 55 | S | A | -0.9745 | |
| 56 | E | A | -1.6746 | |
| 57 | P | A | -0.9037 | |
| 58 | L | A | -0.0974 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | -1.4011 | |
| 61 | A | A | -1.4424 | |
| 62 | E | A | -2.4493 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | -2.2150 | |
| 65 | E | A | -3.2218 | |
| 66 | E | A | -2.9429 | |
| 67 | P | A | -1.8088 | |
| 68 | G | A | -1.7172 | |
| 69 | D | A | 0.0000 | |
| 70 | A | A | -1.5557 | |
| 71 | P | A | 0.0000 | |
| 72 | R | A | -1.8957 | |
| 73 | G | A | -1.0380 | |
| 74 | I | A | -0.2593 | |
| 75 | T | A | 0.1877 | |
| 76 | V | A | 0.0045 | |
| 77 | H | A | -0.6059 | |
| 78 | P | A | -0.7845 | |
| 79 | S | A | -1.0468 | |
| 80 | G | A | 0.0000 | |
| 81 | D | A | -0.6163 | |
| 82 | E | A | -0.6766 | |
| 83 | L | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | C | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | A | A | -1.5629 | |
| 89 | K | A | -2.1809 | |
| 90 | G | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | R | A | -1.6499 | |
| 93 | L | A | -1.3712 | |
| 94 | F | A | 0.0000 | |
| 95 | K | A | -1.0372 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | -0.1135 | |
| 98 | F | A | -0.6253 | |
| 99 | E | A | -1.9046 | |
| 100 | E | A | -1.6516 | |
| 101 | F | A | 0.6568 | |
| 102 | T | A | -0.1893 | |
| 103 | V | A | 0.0000 | |
| 104 | R | A | -1.3164 | |
| 105 | L | A | -0.8499 | |
| 106 | I | A | -0.4898 | |
| 107 | S | A | -1.7098 | |
| 108 | R | A | -2.7192 | |
| 109 | D | A | -3.0661 | |
| 110 | A | A | 0.0000 | |
| 111 | P | A | -1.6029 | |
| 112 | P | A | -0.8585 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -2.6858 | |
| 115 | S | A | -1.4821 | |
| 116 | V | A | -1.2147 | |
| 117 | G | A | -1.7411 | |
| 118 | P | A | -1.8916 | |
| 119 | Q | A | 0.0000 | |
| 120 | K | A | -2.6020 | |
| 121 | C | A | 0.0000 | |
| 122 | L | A | -0.1820 | |
| 123 | A | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | T | A | -1.2334 | |
| 127 | D | A | -2.1409 | |
| 128 | G | A | -1.1482 | |
| 129 | S | A | -1.0168 | |
| 130 | K | A | -0.9287 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | E | A | -3.0994 | |
| 137 | D | A | -2.6422 | |
| 138 | G | A | 0.0000 | |
| 139 | H | A | -1.9946 | |
| 140 | L | A | 0.0000 | |
| 141 | R | A | -0.3659 | |
| 142 | I | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | H | A | -0.5792 | |
| 145 | W | A | 0.0000 | |
| 146 | P | A | -0.7255 | |
| 147 | S | A | -0.6372 | |
| 148 | M | A | -0.4256 | |
| 149 | N | A | -0.5504 | |
| 150 | V | A | 0.9445 | |
| 151 | L | A | -0.0166 | |
| 152 | L | A | -0.5191 | |
| 153 | D | A | -1.2550 | |
| 154 | E | A | -1.5860 | |
| 155 | P | A | -1.9392 | |
| 156 | K | A | -2.5471 | |
| 157 | A | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | K | A | -2.8067 | |
| 160 | S | A | -2.5437 | |
| 161 | F | A | 0.0000 | |
| 162 | R | A | -1.6087 | |
| 163 | D | A | -0.8730 | |
| 164 | M | A | 0.0000 | |
| 165 | D | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | L | A | -1.0474 | |
| 169 | D | A | -2.2723 | |
| 170 | S | A | 0.0000 | |
| 171 | E | A | -2.2022 | |
| 172 | F | A | -1.0376 | |
| 173 | L | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -1.2707 | |
| 179 | D | A | -1.1792 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | -1.3285 | |
| 182 | A | A | 0.0000 | |
| 183 | R | A | -0.7382 | |
| 184 | I | A | 0.0000 | |
| 185 | W | A | 0.0000 | |
| 186 | K | A | -1.1942 | |
| 187 | I | A | 0.0000 | |
| 188 | D | A | -2.7718 | |
| 189 | E | A | -2.5247 | |
| 190 | G | A | -1.2823 | |
| 191 | V | A | 0.0472 | |
| 192 | P | A | 0.0016 | |
| 193 | L | A | 0.4687 | |
| 194 | V | A | -0.0322 | |
| 195 | N | A | -1.3938 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -1.7198 | |
| 198 | R | A | -2.4866 | |
| 199 | S | A | -1.8555 | |
| 200 | A | A | -1.5993 | |
| 201 | D | A | -2.6582 | |
| 202 | E | A | 0.0000 | |
| 203 | K | A | -2.0415 | |
| 204 | I | A | 0.0000 | |
| 205 | E | A | -0.9715 | |
| 206 | C | A | 0.0000 | |
| 207 | C | A | 0.0000 | |
| 208 | R | A | -0.2946 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | -0.9673 | |
| 212 | D | A | -0.9757 | |
| 213 | G | A | -0.7642 | |
| 214 | M | A | 0.3549 | |
| 215 | K | A | -0.3228 | |
| 216 | P | A | -0.3245 | |
| 217 | F | A | 0.2289 | |
| 218 | L | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | -1.8985 | |
| 224 | K | A | -2.6220 | |
| 225 | G | A | -2.3273 | |
| 226 | N | A | -2.3273 | |
| 227 | K | A | -2.4172 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | V | A | 0.5950 | |
| 233 | W | A | 0.0000 | |
| 234 | N | A | -0.4747 | |
| 235 | I | A | -0.5794 | |
| 236 | S | A | -0.9900 | |
| 237 | D | A | -1.9800 | |
| 238 | W | A | -0.8195 | |
| 239 | S | A | -0.8096 | |
| 240 | R | A | -0.3996 | |
| 241 | I | A | 1.4293 | |
| 242 | G | A | 0.7360 | |
| 243 | Y | A | 0.5872 | |
| 244 | K | A | -1.4445 | |
| 245 | R | A | -2.3523 | |
| 246 | L | A | -1.2007 | |
| 247 | L | A | 0.0000 | |
| 248 | G | A | -1.3844 | |
| 249 | K | A | -1.5811 | |
| 250 | P | A | -1.3649 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | -0.8596 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | M | A | -0.3841 | |
| 259 | D | A | -1.5025 | |
| 260 | G | A | 0.0000 | |
| 261 | K | A | -1.6819 | |
| 262 | Y | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | H | A | -1.5925 | |
| 269 | D | A | -1.8489 | |
| 270 | G | A | 0.0000 | |
| 271 | D | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | V | A | -1.6995 | |
| 278 | K | A | -2.8372 | |
| 279 | K | A | -3.0331 | |
| 280 | M | A | -2.1981 | |
| 281 | D | A | -2.6752 | |
| 282 | V | A | -0.7049 | |
| 283 | S | A | -0.7019 | |
| 284 | H | A | 0.0000 | |
| 285 | W | A | -0.2955 | |
| 286 | S | A | -1.2418 | |
| 287 | K | A | -2.2475 | |
| 288 | K | A | -2.0649 | |
| 289 | V | A | -0.8854 | |
| 290 | H | A | 0.0000 | |
| 291 | L | A | -0.0055 | |
| 292 | G | A | -0.6474 | |
| 293 | S | A | 0.0000 | |
| 294 | P | A | -1.0075 | |
| 295 | V | A | 0.0000 | |
| 296 | S | A | -0.8690 | |
| 297 | S | A | -0.3163 | |
| 298 | I | A | 0.0000 | |
| 299 | E | A | -0.2848 | |
| 300 | F | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | P | A | -0.6116 | |
| 303 | T | A | -0.7799 | |
| 304 | E | A | -1.2206 | |
| 305 | R | A | -1.2115 | |
| 306 | A | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | H | A | -1.8142 | |
| 313 | Q | A | -1.2549 | |
| 314 | W | A | 0.0168 | |
| 315 | G | A | 0.0000 | |
| 316 | A | A | -0.8230 | |
| 317 | E | A | -0.8276 | |
| 318 | L | A | -0.6152 | |
| 319 | T | A | -1.0298 | |
| 320 | K | A | -1.9876 | |
| 321 | L | A | 0.0000 | |
| 322 | N | A | -1.6670 | |
| 323 | V | A | 0.0000 | |
| 324 | P | A | -0.5936 | |
| 325 | A | A | -0.5789 | |
| 326 | D | A | -0.9223 | |
| 327 | W | A | -0.2409 | |
| 328 | K | A | -1.8029 | |
| 329 | E | A | -1.5293 | |
| 330 | W | A | 0.6362 | |
| 331 | Q | A | 0.2126 | |
| 332 | V | A | 1.2387 | |
| 333 | W | A | 2.4637 | |
| 334 | L | A | 2.8037 | |
| 335 | I | A | 3.2895 | |
| 336 | L | A | 4.1005 | |
| 337 | L | A | 3.8454 | |
| 338 | S | A | 3.5361 | |
| 339 | L | A | 4.6297 | |
| 340 | F | A | 4.7852 | |
| 341 | L | A | 4.4629 | |
| 342 | V | A | 4.7886 | |
| 343 | S | A | 3.8172 | |
| 344 | A | A | 4.0862 | |
| 345 | I | A | 5.2190 | |
| 346 | L | A | 4.4962 | |
| 347 | F | A | 4.6507 | |
| 348 | Y | A | 3.9524 | |
| 349 | M | A | 2.7308 | |
| 350 | F | A | 3.1896 | |
| 351 | Y | A | 2.1477 | |
| 352 | E | A | -0.6998 | |
| 353 | R | A | -1.0775 | |
| 354 | S | A | -0.1915 | |
| 355 | D | A | -1.4683 | |
| 356 | S | A | -0.5423 | |
| 357 | F | A | 1.6402 | |
| 358 | W | A | 1.2446 | |
| 359 | N | A | 0.4721 | |
| 360 | F | A | 2.0291 | |
| 361 | P | A | 0.7613 | |
| 362 | M | A | 0.4634 | |
| 363 | G | A | -0.6430 | |
| 364 | Q | A | -1.8468 | |
| 365 | H | A | -2.0774 | |
| 366 | Q | A | -2.1382 | |
| 367 | P | A | -1.6573 | |
| 368 | A | A | -1.2000 | |
| 369 | K | A | -1.7127 | |
| 370 | P | A | -0.2840 | |
| 371 | W | A | 1.1855 | |
| 372 | S | A | 0.8484 | |
| 373 | V | A | 1.7126 | |
| 374 | M | A | 0.6719 | |
| 375 | K | A | -1.7091 | |
| 376 | E | A | -2.2829 | |
| 377 | S | A | -1.3610 | |
| 378 | P | A | -0.7770 | |
| 379 | P | A | -0.0876 | |
| 380 | V | A | 0.7804 | |
| 381 | P | A | -0.9493 | |
| 382 | E | A | -2.8669 | |
| 383 | D | A | -3.4988 | |
| 384 | Q | A | -3.1331 | |
| 385 | N | A | -2.4124 | |
| 386 | P | A | -0.8091 | |
| 387 | W | A | 0.6172 |
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