| Chain sequence(s) |
A: EIVDSFDDMNLSESLLRGIYAYGFEKPSAIQQRAILPCIKGYDVIAQAQSGTGKTATFAISILQQIELDLKATQALVLAPTRELAQQIQKVVMALGDYMGASCHACIGGTNVRAEVQKLQMEAPHIIVGTPGRVFDMLNRRYLSPKYIKMFVLDEADEMLSRGFKDQIYDIFQKLNSNTQVVLLSATMPSDVLEVTKKFMRDPIRILVKKEELTLEGIRQFYINVEREEWKLDTLCDLYETLTITQAVIFINTRRKVDWLTEKMHARDFTVSAMHGDMDQKERDVIMREFRSGSSRVLITTDLLARGIDVQQVSLVINYDLPTNRENYIHRIGRGGRFGRKGVAINMVTEEDKRTLRDIETFYNTSIEEMPLNVADLI
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:23)
[INFO] Main: Simulation completed successfully. (00:08:26)
|
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 | |
| 29 | E | A | -1.5147 | |
| 30 | I | A | -0.1713 | |
| 31 | V | A | -1.2836 | |
| 32 | D | A | -2.6833 | |
| 33 | S | A | -2.7356 | |
| 34 | F | A | 0.0000 | |
| 35 | D | A | -3.5165 | |
| 36 | D | A | -3.2936 | |
| 37 | M | A | 0.0000 | |
| 38 | N | A | -2.2968 | |
| 39 | L | A | -1.7876 | |
| 40 | S | A | -1.6517 | |
| 41 | E | A | -2.5348 | |
| 42 | S | A | -1.6196 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | -1.3923 | |
| 45 | R | A | -1.9835 | |
| 46 | G | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | Y | A | -0.2370 | |
| 49 | A | A | -0.1289 | |
| 50 | Y | A | 0.3163 | |
| 51 | G | A | -0.2339 | |
| 52 | F | A | -0.6100 | |
| 53 | E | A | -2.2610 | |
| 54 | K | A | -3.0864 | |
| 55 | P | A | 0.0000 | |
| 56 | S | A | -0.8629 | |
| 57 | A | A | -0.5387 | |
| 58 | I | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | Q | A | -1.1037 | |
| 61 | R | A | -1.0204 | |
| 62 | A | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | L | A | -0.4600 | |
| 65 | P | A | -0.4153 | |
| 66 | C | A | 0.0000 | |
| 67 | I | A | -0.5324 | |
| 68 | K | A | -1.3226 | |
| 69 | G | A | -0.5486 | |
| 70 | Y | A | 0.2792 | |
| 71 | D | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | Q | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | Q | A | -0.2678 | |
| 78 | S | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | T | A | 0.3165 | |
| 81 | G | A | 0.0000 | |
| 82 | K | A | -0.2583 | |
| 83 | T | A | -0.1125 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | Q | A | -0.6405 | |
| 93 | Q | A | -0.9960 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -2.3798 | |
| 96 | L | A | -1.6894 | |
| 97 | D | A | -2.4439 | |
| 98 | L | A | -1.6029 | |
| 99 | K | A | -2.4629 | |
| 100 | A | A | -1.5548 | |
| 101 | T | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | P | A | -0.2640 | |
| 109 | T | A | 0.0000 | |
| 110 | R | A | -0.7205 | |
| 111 | E | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | Q | A | -0.8912 | |
| 115 | Q | A | -0.9079 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -0.9249 | |
| 118 | K | A | -1.6387 | |
| 119 | V | A | -0.6987 | |
| 120 | V | A | 0.0000 | |
| 121 | M | A | -0.7303 | |
| 122 | A | A | -0.5574 | |
| 123 | L | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | D | A | -1.6330 | |
| 126 | Y | A | -0.9185 | |
| 127 | M | A | -0.7769 | |
| 128 | G | A | -0.7529 | |
| 129 | A | A | 0.0000 | |
| 130 | S | A | -0.6827 | |
| 131 | C | A | 0.0000 | |
| 132 | H | A | 0.0000 | |
| 133 | A | A | -0.3999 | |
| 134 | C | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | G | A | -0.6347 | |
| 137 | G | A | -1.2498 | |
| 138 | T | A | -1.2604 | |
| 139 | N | A | -1.6515 | |
| 140 | V | A | -1.2237 | |
| 141 | R | A | -2.2899 | |
| 142 | A | A | -1.5951 | |
| 143 | E | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | Q | A | -2.0404 | |
| 146 | K | A | -1.8408 | |
| 147 | L | A | 0.0000 | |
| 148 | Q | A | -1.8566 | |
| 149 | M | A | -0.8747 | |
| 150 | E | A | -2.3385 | |
| 151 | A | A | -1.3875 | |
| 152 | P | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | I | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | G | A | -0.4463 | |
| 161 | R | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | F | A | -1.0222 | |
| 164 | D | A | -1.2694 | |
| 165 | M | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | N | A | -2.1412 | |
| 168 | R | A | -2.5336 | |
| 169 | R | A | -2.6947 | |
| 170 | Y | A | -1.4101 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | -1.2917 | |
| 173 | P | A | -1.3056 | |
| 174 | K | A | -1.7852 | |
| 175 | Y | A | -0.6604 | |
| 176 | I | A | 0.0000 | |
| 177 | K | A | -1.3575 | |
| 178 | M | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | D | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | D | A | 0.0000 | |
| 186 | E | A | -1.1271 | |
| 187 | M | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | S | A | -1.6399 | |
| 190 | R | A | -2.5678 | |
| 191 | G | A | -1.8852 | |
| 192 | F | A | -1.4942 | |
| 193 | K | A | -2.0291 | |
| 194 | D | A | -2.7154 | |
| 195 | Q | A | -1.9689 | |
| 196 | I | A | 0.0000 | |
| 197 | Y | A | -1.4427 | |
| 198 | D | A | -2.2927 | |
| 199 | I | A | 0.0000 | |
| 200 | F | A | -1.0871 | |
| 201 | Q | A | -1.8417 | |
| 202 | K | A | -1.8279 | |
| 203 | L | A | 0.0000 | |
| 204 | N | A | -1.8565 | |
| 205 | S | A | -1.4519 | |
| 206 | N | A | -1.8987 | |
| 207 | T | A | 0.0000 | |
| 208 | Q | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | P | A | -0.9768 | |
| 218 | S | A | -1.4087 | |
| 219 | D | A | -2.3259 | |
| 220 | V | A | -1.4860 | |
| 221 | L | A | -1.8436 | |
| 222 | E | A | -2.9784 | |
| 223 | V | A | -2.0872 | |
| 224 | T | A | 0.0000 | |
| 225 | K | A | -3.5000 | |
| 226 | K | A | -2.9152 | |
| 227 | F | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | R | A | -2.6933 | |
| 230 | D | A | -2.7102 | |
| 231 | P | A | -1.4373 | |
| 232 | I | A | -0.3846 | |
| 233 | R | A | -1.3325 | |
| 234 | I | A | -0.1633 | |
| 235 | L | A | 0.0978 | |
| 236 | V | A | -1.0355 | |
| 237 | K | A | -2.4897 | |
| 238 | K | A | -2.4293 | |
| 239 | E | A | -2.6555 | |
| 240 | E | A | -3.2223 | |
| 241 | L | A | 0.0000 | |
| 242 | T | A | -1.3765 | |
| 243 | L | A | -1.5459 | |
| 244 | E | A | -2.5047 | |
| 245 | G | A | -1.9663 | |
| 246 | I | A | 0.0000 | |
| 247 | R | A | -1.1934 | |
| 248 | Q | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | Y | A | -1.1450 | |
| 251 | I | A | -1.1516 | |
| 252 | N | A | -2.2543 | |
| 253 | V | A | 0.0000 | |
| 254 | E | A | -4.1863 | |
| 255 | R | A | -4.1763 | |
| 256 | E | A | -3.8773 | |
| 257 | E | A | -3.0797 | |
| 258 | W | A | -1.6911 | |
| 259 | K | A | 0.0000 | |
| 260 | L | A | -1.2420 | |
| 261 | D | A | -1.7354 | |
| 262 | T | A | -1.2093 | |
| 263 | L | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | D | A | -2.3240 | |
| 266 | L | A | -1.3568 | |
| 267 | Y | A | -1.0200 | |
| 268 | E | A | -1.7153 | |
| 269 | T | A | -0.8014 | |
| 270 | L | A | 0.0000 | |
| 271 | T | A | -0.1903 | |
| 272 | I | A | 0.5480 | |
| 273 | T | A | 0.0294 | |
| 274 | Q | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | N | A | -1.7701 | |
| 281 | T | A | -2.3090 | |
| 282 | R | A | -3.6826 | |
| 283 | R | A | -3.5810 | |
| 284 | K | A | -2.6059 | |
| 285 | V | A | 0.0000 | |
| 286 | D | A | -3.0865 | |
| 287 | W | A | -1.8618 | |
| 288 | L | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | E | A | -3.0565 | |
| 291 | K | A | -2.4784 | |
| 292 | M | A | 0.0000 | |
| 293 | H | A | -2.5984 | |
| 294 | A | A | -2.0967 | |
| 295 | R | A | -2.4031 | |
| 296 | D | A | -2.6834 | |
| 297 | F | A | -1.5753 | |
| 298 | T | A | -0.7785 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | -0.6680 | |
| 301 | A | A | -0.7917 | |
| 302 | M | A | 0.0000 | |
| 303 | H | A | 0.0000 | |
| 304 | G | A | -1.8002 | |
| 305 | D | A | -2.7957 | |
| 306 | M | A | -2.1569 | |
| 307 | D | A | -2.4151 | |
| 308 | Q | A | 0.0000 | |
| 309 | K | A | -2.3105 | |
| 310 | E | A | -2.1515 | |
| 311 | R | A | 0.0000 | |
| 312 | D | A | -1.2404 | |
| 313 | V | A | -0.3228 | |
| 314 | I | A | -0.6329 | |
| 315 | M | A | 0.0000 | |
| 316 | R | A | -2.3030 | |
| 317 | E | A | -2.0686 | |
| 318 | F | A | 0.0000 | |
| 319 | R | A | -2.1406 | |
| 320 | S | A | -1.7667 | |
| 321 | G | A | -1.4861 | |
| 322 | S | A | -1.3208 | |
| 323 | S | A | -1.2692 | |
| 324 | R | A | -1.1813 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | T | A | -1.4130 | |
| 330 | D | A | -1.2794 | |
| 331 | L | A | -0.6592 | |
| 332 | L | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | R | A | 0.0000 | |
| 335 | G | A | -0.1497 | |
| 336 | I | A | 0.0000 | |
| 337 | D | A | -0.6303 | |
| 338 | V | A | 0.0000 | |
| 339 | Q | A | -1.8299 | |
| 340 | Q | A | -2.0458 | |
| 341 | V | A | 0.0000 | |
| 342 | S | A | -0.8254 | |
| 343 | L | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | N | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | D | A | -0.7340 | |
| 349 | L | A | 0.0000 | |
| 350 | P | A | 0.0000 | |
| 351 | T | A | -1.1333 | |
| 352 | N | A | -1.9126 | |
| 353 | R | A | -2.4515 | |
| 354 | E | A | -1.5276 | |
| 355 | N | A | -1.3403 | |
| 356 | Y | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | H | A | 0.0000 | |
| 359 | R | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | R | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | G | A | 0.0000 | |
| 365 | R | A | 0.0000 | |
| 366 | F | A | 0.4364 | |
| 367 | G | A | -1.1070 | |
| 368 | R | A | -2.6795 | |
| 369 | K | A | -2.5769 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | N | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | E | A | -4.5532 | |
| 379 | E | A | -4.1273 | |
| 380 | D | A | -3.6453 | |
| 381 | K | A | -3.6872 | |
| 382 | R | A | -4.0450 | |
| 383 | T | A | -3.2311 | |
| 384 | L | A | 0.0000 | |
| 385 | R | A | -3.5329 | |
| 386 | D | A | -3.5559 | |
| 387 | I | A | 0.0000 | |
| 388 | E | A | 0.0000 | |
| 389 | T | A | -1.6356 | |
| 390 | F | A | -1.5094 | |
| 391 | Y | A | 0.0000 | |
| 392 | N | A | -2.0791 | |
| 393 | T | A | -1.4476 | |
| 394 | S | A | -1.4608 | |
| 395 | I | A | 0.0000 | |
| 396 | E | A | -2.7030 | |
| 397 | E | A | -2.5465 | |
| 398 | M | A | -1.0914 | |
| 399 | P | A | -0.2639 | |
| 400 | L | A | 0.5480 | |
| 401 | N | A | -0.8866 | |
| 402 | V | A | 0.0000 | |
| 403 | A | A | -0.6824 | |
| 404 | D | A | -1.4784 | |
| 405 | L | A | -0.9011 | |
| 406 | I | A | -0.1910 |
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