| Chain sequence(s) |
A: MDYTKFFADALDRLHAERRYRVFADLERVAGRFPHATWHSPSGERDVVIWCSNDYLGMGQHPKVVGAMVETATRLGTGAGGTRNIAGTHHPLVMLERELADLHGKEAALLFTSGYVSNQTGISTLAKLIPNCLILSDALNHNSMIEGIRQSGCERIVWRHNDTAHLEELLRAVEPGRPVLIAFESLYSMDGDVAPMAKICDLAEKYGAMTYCDEVHAVGMYGARGAGVAERDGVMHRIDIIEATLAKAFGCLGGYISGKKDVIDAVRSYAPGFIFTTALPPPICAAATAAIRHLKTSTWERERHQDRAARLKAVLNTAGLPVMPTDTHIVPVFVGDAERCKKASDLLLEKHGIYIQPINYPTVAKGKERLRITPSPYHDDDLMDRLAEALVDVWETLELPLGAKPLAAE
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:03)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:48)
[INFO] Main: Simulation completed successfully. (00:04:50)
|
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 | 0.4761 | |
| 2 | D | A | -0.6493 | |
| 3 | Y | A | 1.0450 | |
| 4 | T | A | 0.3840 | |
| 5 | K | A | -0.3502 | |
| 6 | F | A | 1.6528 | |
| 7 | F | A | 1.6991 | |
| 8 | A | A | 0.1756 | |
| 9 | D | A | -0.9314 | |
| 10 | A | A | -0.4034 | |
| 11 | L | A | -0.8398 | |
| 12 | D | A | -2.9242 | |
| 13 | R | A | -3.2721 | |
| 14 | L | A | -2.4780 | |
| 15 | H | A | -3.1239 | |
| 16 | A | A | -2.7173 | |
| 17 | E | A | -3.4068 | |
| 18 | R | A | -3.8558 | |
| 19 | R | A | -2.0579 | |
| 20 | Y | A | -0.8927 | |
| 21 | R | A | 0.1884 | |
| 22 | V | A | 2.1555 | |
| 23 | F | A | 2.1053 | |
| 24 | A | A | 0.1907 | |
| 25 | D | A | -1.8123 | |
| 26 | L | A | -1.8940 | |
| 27 | E | A | -2.7617 | |
| 28 | R | A | -2.0442 | |
| 29 | V | A | -1.0756 | |
| 30 | A | A | -0.9186 | |
| 31 | G | A | -1.3578 | |
| 32 | R | A | -1.9934 | |
| 33 | F | A | 0.0000 | |
| 34 | P | A | 0.0000 | |
| 35 | H | A | -1.4722 | |
| 36 | A | A | 0.0000 | |
| 37 | T | A | -2.5469 | |
| 38 | W | A | 0.0000 | |
| 39 | H | A | -2.8192 | |
| 40 | S | A | -1.8962 | |
| 41 | P | A | -1.0657 | |
| 42 | S | A | -1.0378 | |
| 43 | G | A | -1.6671 | |
| 44 | E | A | -3.3864 | |
| 45 | R | A | -2.9735 | |
| 46 | D | A | -2.9065 | |
| 47 | V | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | C | A | -0.0755 | |
| 52 | S | A | -0.2621 | |
| 53 | N | A | -0.5612 | |
| 54 | D | A | 0.0000 | |
| 55 | Y | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | M | A | 0.0000 | |
| 59 | G | A | -0.3756 | |
| 60 | Q | A | -0.7772 | |
| 61 | H | A | -0.8118 | |
| 62 | P | A | -1.0277 | |
| 63 | K | A | -1.9179 | |
| 64 | V | A | 0.0000 | |
| 65 | V | A | 0.1715 | |
| 66 | G | A | -0.4903 | |
| 67 | A | A | -0.3305 | |
| 68 | M | A | 0.4919 | |
| 69 | V | A | 0.5470 | |
| 70 | E | A | -1.3716 | |
| 71 | T | A | -0.6815 | |
| 72 | A | A | -0.4259 | |
| 73 | T | A | -0.9482 | |
| 74 | R | A | -1.7604 | |
| 75 | L | A | -0.4302 | |
| 76 | G | A | -0.5463 | |
| 77 | T | A | -0.2481 | |
| 78 | G | A | -0.5534 | |
| 79 | A | A | -0.2703 | |
| 80 | G | A | -0.4376 | |
| 81 | G | A | 0.1832 | |
| 82 | T | A | 0.5415 | |
| 83 | R | A | -0.1250 | |
| 84 | N | A | -0.1400 | |
| 85 | I | A | 1.2793 | |
| 86 | A | A | 0.4686 | |
| 87 | G | A | 0.0000 | |
| 88 | T | A | -0.3244 | |
| 89 | H | A | -0.4860 | |
| 90 | H | A | -0.8671 | |
| 91 | P | A | -0.3605 | |
| 92 | L | A | 0.0000 | |
| 93 | V | A | -0.3535 | |
| 94 | M | A | -0.4889 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | 0.0000 | |
| 97 | R | A | -2.4175 | |
| 98 | E | A | -1.8463 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | D | A | -2.6583 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | 0.0000 | |
| 104 | G | A | -1.7697 | |
| 105 | K | A | -2.9042 | |
| 106 | E | A | -3.7997 | |
| 107 | A | A | -2.9536 | |
| 108 | A | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | 0.2106 | |
| 113 | S | A | 0.3785 | |
| 114 | G | A | 0.3916 | |
| 115 | Y | A | 0.3700 | |
| 116 | V | A | 0.3715 | |
| 117 | S | A | 0.0000 | |
| 118 | N | A | 0.0000 | |
| 119 | Q | A | -0.5718 | |
| 120 | T | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | K | A | -1.4850 | |
| 128 | L | A | 0.1259 | |
| 129 | I | A | -0.2875 | |
| 130 | P | A | -0.9080 | |
| 131 | N | A | -1.8042 | |
| 132 | C | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 138 | A | A | 0.2185 | |
| 139 | L | A | 0.6536 | |
| 140 | N | A | 0.0000 | |
| 141 | H | A | -0.7533 | |
| 142 | N | A | -1.1143 | |
| 143 | S | A | 0.0000 | |
| 144 | M | A | 0.0000 | |
| 145 | I | A | -0.8696 | |
| 146 | E | A | -1.4017 | |
| 147 | G | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | R | A | -2.8878 | |
| 150 | Q | A | -2.2571 | |
| 151 | S | A | 0.0000 | |
| 152 | G | A | -2.1359 | |
| 153 | C | A | -2.3592 | |
| 154 | E | A | -2.7195 | |
| 155 | R | A | -2.0321 | |
| 156 | I | A | -0.1383 | |
| 157 | V | A | 0.5217 | |
| 158 | W | A | 0.0000 | |
| 159 | R | A | -1.6759 | |
| 160 | H | A | -0.8194 | |
| 161 | N | A | -0.9931 | |
| 162 | D | A | -1.2257 | |
| 163 | T | A | -1.2601 | |
| 164 | A | A | -1.1824 | |
| 165 | H | A | -1.6849 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -2.1320 | |
| 168 | E | A | -2.5846 | |
| 169 | L | A | -1.1750 | |
| 170 | L | A | 0.0000 | |
| 171 | R | A | -2.6841 | |
| 172 | A | A | -1.6283 | |
| 173 | V | A | -1.5491 | |
| 174 | E | A | -2.3398 | |
| 175 | P | A | -1.6419 | |
| 176 | G | A | -1.2312 | |
| 177 | R | A | -1.5378 | |
| 178 | P | A | -0.8871 | |
| 179 | V | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | E | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | -0.3550 | |
| 189 | M | A | -0.3573 | |
| 190 | D | A | -1.2164 | |
| 191 | G | A | 0.0000 | |
| 192 | D | A | -1.6831 | |
| 193 | V | A | -0.6768 | |
| 194 | A | A | 0.0000 | |
| 195 | P | A | -0.7379 | |
| 196 | M | A | 0.0000 | |
| 197 | A | A | -1.3532 | |
| 198 | K | A | -2.1739 | |
| 199 | I | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | D | A | -3.2029 | |
| 202 | L | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | E | A | -3.3844 | |
| 205 | K | A | -3.0284 | |
| 206 | Y | A | -1.8989 | |
| 207 | G | A | -1.6975 | |
| 208 | A | A | -0.9950 | |
| 209 | M | A | -0.5089 | |
| 210 | T | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | C | A | 0.0000 | |
| 213 | D | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | V | A | 0.1392 | |
| 216 | H | A | -0.1299 | |
| 217 | A | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | M | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | G | A | -1.1209 | |
| 223 | A | A | -0.6389 | |
| 224 | R | A | -1.1904 | |
| 225 | G | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | E | A | -1.5735 | |
| 231 | R | A | -1.9497 | |
| 232 | D | A | -1.9321 | |
| 233 | G | A | -1.6097 | |
| 234 | V | A | 0.0000 | |
| 235 | M | A | -1.3055 | |
| 236 | H | A | -1.5571 | |
| 237 | R | A | -1.5927 | |
| 238 | I | A | 0.0000 | |
| 239 | D | A | -1.6403 | |
| 240 | I | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | A | A | 0.1703 | |
| 247 | K | A | -0.2941 | |
| 248 | A | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | G | A | -0.0372 | |
| 251 | C | A | 0.5521 | |
| 252 | L | A | 0.8475 | |
| 253 | G | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | K | A | -3.8090 | |
| 260 | K | A | -3.8717 | |
| 261 | D | A | -3.3945 | |
| 262 | V | A | -2.0640 | |
| 263 | I | A | 0.0000 | |
| 264 | D | A | -2.0395 | |
| 265 | A | A | -0.7413 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -0.9235 | |
| 268 | S | A | -0.0100 | |
| 269 | Y | A | 0.8210 | |
| 270 | A | A | 0.0000 | |
| 271 | P | A | 0.5663 | |
| 272 | G | A | 0.4366 | |
| 273 | F | A | 0.0000 | |
| 274 | I | A | 1.0540 | |
| 275 | F | A | 1.7425 | |
| 276 | T | A | 0.7051 | |
| 277 | T | A | 0.2275 | |
| 278 | A | A | 0.0251 | |
| 279 | L | A | 0.0000 | |
| 280 | P | A | -0.0425 | |
| 281 | P | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | I | A | 0.8180 | |
| 284 | C | A | 0.0000 | |
| 285 | A | A | 0.1379 | |
| 286 | A | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | A | A | -1.0166 | |
| 290 | A | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | -2.2834 | |
| 293 | H | A | -1.4851 | |
| 294 | L | A | 0.0000 | |
| 295 | K | A | -1.2252 | |
| 296 | T | A | -0.6853 | |
| 297 | S | A | -0.4260 | |
| 298 | T | A | -0.3298 | |
| 299 | W | A | 0.2189 | |
| 300 | E | A | 0.0000 | |
| 301 | R | A | 0.0000 | |
| 302 | E | A | -2.3461 | |
| 303 | R | A | -1.7562 | |
| 304 | H | A | 0.0000 | |
| 305 | Q | A | -2.5147 | |
| 306 | D | A | -2.4995 | |
| 307 | R | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | A | A | -1.4287 | |
| 310 | R | A | -1.8518 | |
| 311 | L | A | 0.0000 | |
| 312 | K | A | -0.6775 | |
| 313 | A | A | -0.5899 | |
| 314 | V | A | -0.8478 | |
| 315 | L | A | 0.0000 | |
| 316 | N | A | -1.2081 | |
| 317 | T | A | -0.7253 | |
| 318 | A | A | -1.0284 | |
| 319 | G | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | P | A | 0.1695 | |
| 322 | V | A | 0.1541 | |
| 323 | M | A | -0.0406 | |
| 324 | P | A | -0.8491 | |
| 325 | T | A | -1.4227 | |
| 326 | D | A | -2.1144 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | 0.4506 | |
| 334 | V | A | 0.0000 | |
| 335 | G | A | -1.5585 | |
| 336 | D | A | -2.4318 | |
| 337 | A | A | -2.9453 | |
| 338 | E | A | -3.5640 | |
| 339 | R | A | -3.0151 | |
| 340 | C | A | 0.0000 | |
| 341 | K | A | -3.0157 | |
| 342 | K | A | -2.4854 | |
| 343 | A | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | D | A | -2.0493 | |
| 346 | L | A | -1.7037 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | -1.5879 | |
| 349 | E | A | -2.7875 | |
| 350 | K | A | -2.6324 | |
| 351 | H | A | -1.8805 | |
| 352 | G | A | -1.6166 | |
| 353 | I | A | 0.0000 | |
| 354 | Y | A | -0.1627 | |
| 355 | I | A | 0.0000 | |
| 356 | Q | A | -0.2452 | |
| 357 | P | A | -0.9028 | |
| 358 | I | A | -0.0036 | |
| 359 | N | A | -1.1378 | |
| 360 | Y | A | -0.3897 | |
| 361 | P | A | -0.1844 | |
| 362 | T | A | -0.2638 | |
| 363 | V | A | 0.0000 | |
| 364 | A | A | -1.0180 | |
| 365 | K | A | -2.1580 | |
| 366 | G | A | -1.6695 | |
| 367 | K | A | -1.6744 | |
| 368 | E | A | 0.0000 | |
| 369 | R | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | P | A | 0.0000 | |
| 375 | S | A | 0.0000 | |
| 376 | P | A | 0.0000 | |
| 377 | Y | A | -0.2625 | |
| 378 | H | A | 0.0000 | |
| 379 | D | A | -2.3159 | |
| 380 | D | A | -3.0393 | |
| 381 | D | A | -3.4715 | |
| 382 | L | A | -2.3067 | |
| 383 | M | A | 0.0000 | |
| 384 | D | A | -3.7999 | |
| 385 | R | A | -3.3250 | |
| 386 | L | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | E | A | -2.7750 | |
| 389 | A | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | -1.0215 | |
| 392 | D | A | -1.6824 | |
| 393 | V | A | 0.0000 | |
| 394 | W | A | 0.0000 | |
| 395 | E | A | -2.4801 | |
| 396 | T | A | -1.4774 | |
| 397 | L | A | -1.7175 | |
| 398 | E | A | -2.5347 | |
| 399 | L | A | 0.0000 | |
| 400 | P | A | -0.5769 | |
| 401 | L | A | -0.2325 | |
| 402 | G | A | -0.5734 | |
| 403 | A | A | -0.7183 | |
| 404 | K | A | -1.4862 | |
| 405 | P | A | -0.4565 | |
| 406 | L | A | 0.7689 | |
| 407 | A | A | 0.0152 | |
| 408 | A | A | -0.4071 | |
| 409 | E | A | -1.5546 |
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