| Chain sequence(s) |
A: TQLEQAWELAKQRFAAVGIDVEEALRQLDRLPVSMHCWQGDDVSGFENYPGKARNASELRADLEQAMRLIPGPKRLNLHAIYLESDTPVSRDQIKPEHFKNWVEWAKANQLGLDFNPSCFSHPLSADGFTLSHADDSIRQFWIDHCKASRRVSAYFGEQLGTPSVMNIWIPDGMKDITVDRLAPRQRLLAALDEVISEKLNPAHHIDAVESKLFGIGAESYTVGSNEFYMGYATSRQTALCLDAGHFHPTEVISDKISAAMLYVPQLLLHVSRPVRWDSDHVVLLDDETQAIASEIVRHDLFDRVHIGLDFFDASINRIAAWVIGTRNMKKALLRALLEPTAELRKLEAPGDYTARLALLEEQKSLPWQAVWEMYCQRHDTPAGSEWLESVRAYEKEILSRR
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 (00:08:27)
[INFO] Main: Simulation completed successfully. (00:08:32)
|
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 | |
| 11 | T | A | -1.4177 | |
| 12 | Q | A | -2.2369 | |
| 13 | L | A | -2.0807 | |
| 14 | E | A | -2.9335 | |
| 15 | Q | A | -2.5905 | |
| 16 | A | A | -1.6829 | |
| 17 | W | A | 0.0000 | |
| 18 | E | A | -2.4759 | |
| 19 | L | A | -0.6879 | |
| 20 | A | A | 0.0000 | |
| 21 | K | A | -2.2081 | |
| 22 | Q | A | -2.1796 | |
| 23 | R | A | -1.9636 | |
| 24 | F | A | 0.0000 | |
| 25 | A | A | -1.2717 | |
| 26 | A | A | -0.8642 | |
| 27 | V | A | -0.6208 | |
| 28 | G | A | -1.0437 | |
| 29 | I | A | -1.4762 | |
| 30 | D | A | -2.7969 | |
| 31 | V | A | 0.0000 | |
| 32 | E | A | -2.3337 | |
| 33 | E | A | -3.1975 | |
| 34 | A | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | R | A | -3.3110 | |
| 37 | Q | A | -2.4246 | |
| 38 | L | A | 0.0000 | |
| 39 | D | A | -2.5603 | |
| 40 | R | A | -2.6507 | |
| 41 | L | A | 0.0000 | |
| 42 | P | A | -0.8605 | |
| 43 | V | A | 0.0000 | |
| 44 | S | A | 0.0000 | |
| 45 | M | A | 0.0000 | |
| 46 | H | A | 0.0000 | |
| 47 | C | A | 0.0000 | |
| 48 | W | A | 0.0000 | |
| 49 | Q | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | D | A | 0.0000 | |
| 52 | D | A | -0.4901 | |
| 53 | V | A | 0.2134 | |
| 54 | S | A | -0.7763 | |
| 55 | G | A | -0.9164 | |
| 56 | F | A | -1.2147 | |
| 57 | E | A | -2.0780 | |
| 72 | N | A | -1.1370 | |
| 73 | Y | A | -0.4747 | |
| 74 | P | A | -0.8489 | |
| 75 | G | A | 0.0000 | |
| 76 | K | A | -1.4454 | |
| 77 | A | A | 0.0000 | |
| 78 | R | A | -2.5756 | |
| 79 | N | A | -2.1320 | |
| 80 | A | A | 0.0000 | |
| 81 | S | A | -1.0138 | |
| 82 | E | A | -1.2137 | |
| 83 | L | A | 0.0000 | |
| 84 | R | A | -0.6035 | |
| 85 | A | A | -0.3399 | |
| 86 | D | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | E | A | -1.1527 | |
| 89 | Q | A | -0.9975 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | 0.0000 | |
| 92 | R | A | -2.3606 | |
| 93 | L | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | P | A | 0.0000 | |
| 96 | G | A | -1.3288 | |
| 97 | P | A | -1.0495 | |
| 98 | K | A | -0.7546 | |
| 99 | R | A | -0.5893 | |
| 100 | L | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | -0.0564 | |
| 104 | A | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | E | A | -1.8231 | |
| 109 | S | A | -1.7054 | |
| 110 | D | A | -2.1830 | |
| 111 | T | A | -1.3569 | |
| 112 | P | A | -1.0348 | |
| 113 | V | A | -1.1424 | |
| 114 | S | A | -0.8335 | |
| 115 | R | A | 0.0000 | |
| 116 | D | A | -1.4142 | |
| 117 | Q | A | -1.8975 | |
| 118 | I | A | 0.0000 | |
| 119 | K | A | -2.8069 | |
| 120 | P | A | -2.2330 | |
| 121 | E | A | -3.1137 | |
| 122 | H | A | -2.5599 | |
| 123 | F | A | 0.0000 | |
| 124 | K | A | -3.2910 | |
| 125 | N | A | -2.4779 | |
| 126 | W | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | E | A | -2.8976 | |
| 129 | W | A | -1.8496 | |
| 130 | A | A | 0.0000 | |
| 131 | K | A | -2.4451 | |
| 132 | A | A | -1.5265 | |
| 133 | N | A | -1.6727 | |
| 134 | Q | A | -1.7911 | |
| 135 | L | A | 0.0000 | |
| 136 | G | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | D | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | N | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | F | A | 0.2093 | |
| 145 | S | A | -0.1225 | |
| 146 | H | A | -0.3074 | |
| 147 | P | A | -0.3412 | |
| 148 | L | A | 0.0495 | |
| 149 | S | A | -0.3841 | |
| 150 | A | A | -0.7956 | |
| 151 | D | A | -1.6864 | |
| 152 | G | A | -1.0171 | |
| 153 | F | A | -0.3839 | |
| 154 | T | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | H | A | -1.1587 | |
| 158 | A | A | -1.0428 | |
| 159 | D | A | -1.9813 | |
| 160 | D | A | -2.5690 | |
| 161 | S | A | -1.4789 | |
| 162 | I | A | -0.8856 | |
| 163 | R | A | -1.3754 | |
| 164 | Q | A | -1.5242 | |
| 165 | F | A | -0.7925 | |
| 166 | W | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | D | A | -1.3063 | |
| 169 | H | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | K | A | -1.6484 | |
| 172 | A | A | -1.4312 | |
| 173 | S | A | 0.0000 | |
| 174 | R | A | 0.0000 | |
| 175 | R | A | -1.3082 | |
| 176 | V | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | Y | A | -1.2865 | |
| 180 | F | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | E | A | -1.7172 | |
| 183 | Q | A | -1.8565 | |
| 184 | L | A | -1.3866 | |
| 185 | G | A | -1.0743 | |
| 186 | T | A | -0.5737 | |
| 187 | P | A | -0.6252 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | M | A | 0.0000 | |
| 191 | N | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | W | A | 0.2419 | |
| 194 | I | A | 0.0000 | |
| 195 | P | A | 0.3315 | |
| 196 | D | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | M | A | -0.9787 | |
| 199 | K | A | -2.0738 | |
| 200 | D | A | -1.5526 | |
| 201 | I | A | 0.9314 | |
| 202 | T | A | 0.5595 | |
| 203 | V | A | 1.3024 | |
| 204 | D | A | -0.3170 | |
| 205 | R | A | -0.5020 | |
| 206 | L | A | 0.3358 | |
| 207 | A | A | -0.3518 | |
| 208 | P | A | 0.0000 | |
| 209 | R | A | -0.8462 | |
| 210 | Q | A | -1.1564 | |
| 211 | R | A | -0.9782 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | -0.5013 | |
| 214 | A | A | -0.6764 | |
| 215 | A | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | D | A | -1.2052 | |
| 218 | E | A | -1.5785 | |
| 219 | V | A | 0.0000 | |
| 220 | I | A | -1.3744 | |
| 221 | S | A | -1.9465 | |
| 222 | E | A | -3.0174 | |
| 223 | K | A | -2.7357 | |
| 224 | L | A | -1.7654 | |
| 225 | N | A | -1.5646 | |
| 226 | P | A | -0.9313 | |
| 227 | A | A | -0.7183 | |
| 228 | H | A | -1.0973 | |
| 229 | H | A | 0.0000 | |
| 230 | I | A | -0.0785 | |
| 231 | D | A | -0.1935 | |
| 232 | A | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | E | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | K | A | 0.0266 | |
| 237 | L | A | 0.1935 | |
| 238 | F | A | 0.3677 | |
| 239 | G | A | 0.5968 | |
| 240 | I | A | 1.4130 | |
| 241 | G | A | -0.5321 | |
| 242 | A | A | -0.9712 | |
| 243 | E | A | -0.9751 | |
| 244 | S | A | -0.7601 | |
| 245 | Y | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | S | A | -0.5040 | |
| 250 | N | A | -0.8653 | |
| 251 | E | A | -1.7723 | |
| 252 | F | A | -0.7455 | |
| 253 | Y | A | 0.0000 | |
| 254 | M | A | -0.4166 | |
| 255 | G | A | -0.8327 | |
| 256 | Y | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | T | A | -0.2078 | |
| 259 | S | A | -0.8463 | |
| 260 | R | A | -1.5700 | |
| 261 | Q | A | -1.5446 | |
| 262 | T | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | A | A | -0.0999 | |
| 269 | G | A | 0.0000 | |
| 270 | H | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | H | A | -0.7940 | |
| 273 | P | A | -0.8804 | |
| 274 | T | A | -0.4356 | |
| 275 | E | A | -0.7579 | |
| 276 | V | A | -0.1571 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | D | A | -1.8490 | |
| 280 | K | A | -1.0711 | |
| 281 | I | A | 0.0000 | |
| 282 | S | A | -0.1174 | |
| 283 | A | A | 0.2900 | |
| 284 | A | A | 0.0000 | |
| 285 | M | A | 1.0830 | |
| 286 | L | A | 2.2215 | |
| 287 | Y | A | 1.8393 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | -0.0713 | |
| 290 | Q | A | -0.6486 | |
| 291 | L | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | R | A | -0.6334 | |
| 298 | P | A | -0.5543 | |
| 299 | V | A | -0.4260 | |
| 300 | R | A | -1.3407 | |
| 301 | W | A | 0.0219 | |
| 302 | D | A | 0.0000 | |
| 303 | S | A | -0.3862 | |
| 304 | D | A | -0.4970 | |
| 305 | H | A | -0.4786 | |
| 306 | V | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | L | A | 0.1978 | |
| 309 | L | A | -0.0847 | |
| 310 | D | A | -1.2191 | |
| 311 | D | A | -2.0802 | |
| 312 | E | A | -1.2918 | |
| 313 | T | A | 0.0000 | |
| 314 | Q | A | -0.9814 | |
| 315 | A | A | -0.9498 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | S | A | 0.0000 | |
| 319 | E | A | -1.0660 | |
| 320 | I | A | 0.0000 | |
| 321 | V | A | -0.8592 | |
| 322 | R | A | -1.3023 | |
| 323 | H | A | -1.3509 | |
| 324 | D | A | -2.3469 | |
| 325 | L | A | 0.0000 | |
| 326 | F | A | -1.8318 | |
| 327 | D | A | -2.6158 | |
| 328 | R | A | -1.9942 | |
| 329 | V | A | 0.0000 | |
| 330 | H | A | -0.7023 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | D | A | -0.3574 | |
| 335 | F | A | 0.0000 | |
| 336 | F | A | -0.0178 | |
| 337 | D | A | -0.2426 | |
| 338 | A | A | -0.3546 | |
| 339 | S | A | -0.3177 | |
| 340 | I | A | 0.3881 | |
| 341 | N | A | 0.0000 | |
| 342 | R | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | W | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | 0.6956 | |
| 349 | G | A | 0.0000 | |
| 350 | T | A | 0.0000 | |
| 351 | R | A | 0.0000 | |
| 352 | N | A | 0.1290 | |
| 353 | M | A | 0.0000 | |
| 354 | K | A | 0.0000 | |
| 355 | K | A | -0.4930 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -0.8431 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | -0.8943 | |
| 362 | L | A | 0.0000 | |
| 363 | E | A | -0.5739 | |
| 364 | P | A | 0.0000 | |
| 365 | T | A | -1.2848 | |
| 366 | A | A | -2.0176 | |
| 367 | E | A | -2.9631 | |
| 368 | L | A | 0.0000 | |
| 369 | R | A | -3.4835 | |
| 370 | K | A | -3.5994 | |
| 371 | L | A | -2.2818 | |
| 372 | E | A | -2.5293 | |
| 373 | A | A | -1.9827 | |
| 374 | P | A | -1.5604 | |
| 375 | G | A | -1.4037 | |
| 376 | D | A | -1.1512 | |
| 377 | Y | A | 0.6660 | |
| 378 | T | A | 0.4793 | |
| 379 | A | A | 0.1606 | |
| 380 | R | A | -0.7063 | |
| 381 | L | A | 0.9588 | |
| 382 | A | A | 0.0323 | |
| 383 | L | A | -0.7409 | |
| 384 | L | A | -0.8194 | |
| 385 | E | A | -2.5189 | |
| 386 | E | A | -2.9415 | |
| 387 | Q | A | -2.3283 | |
| 388 | K | A | -2.9651 | |
| 389 | S | A | -2.0318 | |
| 390 | L | A | 0.0000 | |
| 391 | P | A | -0.8648 | |
| 392 | W | A | 0.0000 | |
| 393 | Q | A | -1.2838 | |
| 394 | A | A | -1.2953 | |
| 395 | V | A | 0.0000 | |
| 396 | W | A | 0.0000 | |
| 397 | E | A | -1.6466 | |
| 398 | M | A | 0.0000 | |
| 399 | Y | A | 0.0000 | |
| 400 | C | A | 0.0000 | |
| 401 | Q | A | -2.9211 | |
| 402 | R | A | -2.7857 | |
| 403 | H | A | -2.7096 | |
| 404 | D | A | -3.1240 | |
| 405 | T | A | -2.3558 | |
| 406 | P | A | -1.7490 | |
| 407 | A | A | -1.5176 | |
| 408 | G | A | -0.9885 | |
| 409 | S | A | -1.3336 | |
| 410 | E | A | -2.3926 | |
| 411 | W | A | 0.0000 | |
| 412 | L | A | -1.5166 | |
| 413 | E | A | -2.9097 | |
| 414 | S | A | -2.2033 | |
| 415 | V | A | 0.0000 | |
| 416 | R | A | -3.0882 | |
| 417 | A | A | -2.3658 | |
| 418 | Y | A | -1.7824 | |
| 419 | E | A | -2.6539 | |
| 420 | K | A | -3.3028 | |
| 421 | E | A | -2.9362 | |
| 422 | I | A | -1.5412 | |
| 423 | L | A | 0.0000 | |
| 424 | S | A | -2.1100 | |
| 425 | R | A | -2.5711 | |
| 426 | R | A | -1.7075 |
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