| Chain sequence(s) |
A: MGVQGLWKLLECSGRQVSPEALEGKILAVDISIWLNQALKGVRDRHGNSIENPHLLTLFHRLCKLLFFRIRPIFVFDGDAPLLKKQTLVKRRQRKDLASSDSRKTTEKLLKTGTLKAQKQQQERIAATVTGQMFLESQELLRLFGIPYIQAPMEAEAQCAILDLTDQTSGTITDDSAIWLFGARHVYRNFFNKNKFVEYYQYVDFHNQLGLDRNKLINLAYLLGSDYTEGIPTVGCVTAMEILNEFPGHGLEPLLKFSEWWHEAQKNPKIRPNPHDTKVKKKLRTLQLTPGFPNPAVAEAYLKPVVDDSKGSFLWGKPDLDKIREFCQRYFGWNRTKTDESLFPVLLQLKRDEYQTHYVDAEEEEIIQYVVGTLQPKFKRFLRHPLPKTLEQLIQRGMEVQDGLEQA
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 (00:10:35)
[INFO] Main: Simulation completed successfully. (00:10:38)
|
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 | 0.5468 | |
| 2 | G | A | 0.0000 | |
| 3 | V | A | 0.0000 | |
| 4 | Q | A | -1.4968 | |
| 5 | G | A | -1.1725 | |
| 6 | L | A | 0.0000 | |
| 7 | W | A | -1.6176 | |
| 8 | K | A | -2.3021 | |
| 9 | L | A | -0.7002 | |
| 10 | L | A | 0.0000 | |
| 11 | E | A | -2.2832 | |
| 12 | C | A | -0.8325 | |
| 13 | S | A | 0.0000 | |
| 14 | G | A | -1.8257 | |
| 15 | R | A | -2.4468 | |
| 16 | Q | A | -1.8277 | |
| 17 | V | A | -0.5886 | |
| 18 | S | A | -0.2004 | |
| 19 | P | A | -0.4596 | |
| 20 | E | A | -1.3078 | |
| 21 | A | A | -0.7458 | |
| 22 | L | A | 0.0000 | |
| 23 | E | A | -2.3638 | |
| 24 | G | A | -1.5974 | |
| 25 | K | A | -1.3390 | |
| 26 | I | A | -0.7596 | |
| 27 | L | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | I | A | -0.2446 | |
| 34 | W | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | N | A | -1.2816 | |
| 37 | Q | A | -1.5730 | |
| 38 | A | A | -1.0209 | |
| 39 | L | A | -0.5345 | |
| 40 | K | A | -2.1211 | |
| 41 | G | A | -1.7336 | |
| 42 | V | A | -1.8677 | |
| 43 | R | A | -3.4715 | |
| 44 | D | A | -3.2420 | |
| 45 | R | A | -3.4604 | |
| 46 | H | A | -2.9322 | |
| 47 | G | A | -2.5984 | |
| 48 | N | A | -2.9300 | |
| 49 | S | A | -2.2704 | |
| 50 | I | A | -1.4831 | |
| 51 | E | A | -2.0699 | |
| 52 | N | A | -0.8427 | |
| 53 | P | A | -0.7443 | |
| 54 | H | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | L | A | -0.0716 | |
| 57 | T | A | -0.1288 | |
| 58 | L | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | H | A | -0.6902 | |
| 61 | R | A | -0.6161 | |
| 62 | L | A | 0.0000 | |
| 63 | C | A | 0.0000 | |
| 64 | K | A | -0.6546 | |
| 65 | L | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | R | A | -1.3721 | |
| 70 | I | A | 0.0000 | |
| 71 | R | A | -1.1364 | |
| 72 | P | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | D | A | -0.9760 | |
| 78 | G | A | -1.2318 | |
| 79 | D | A | -1.5065 | |
| 80 | A | A | -0.8806 | |
| 81 | P | A | 0.0567 | |
| 82 | L | A | 0.7226 | |
| 83 | L | A | 0.2463 | |
| 84 | K | A | -0.4890 | |
| 85 | K | A | -0.9602 | |
| 86 | Q | A | -0.8738 | |
| 87 | T | A | 0.0000 | |
| 88 | L | A | -0.9369 | |
| 89 | V | A | -1.0455 | |
| 90 | K | A | -2.7523 | |
| 91 | R | A | -2.8992 | |
| 92 | R | A | -3.5557 | |
| 93 | Q | A | -3.4448 | |
| 94 | R | A | -3.9434 | |
| 95 | K | A | -4.1178 | |
| 96 | D | A | -3.9602 | |
| 97 | L | A | -2.7423 | |
| 98 | A | A | -2.0555 | |
| 99 | S | A | -1.9756 | |
| 100 | S | A | -2.1040 | |
| 101 | D | A | -3.0172 | |
| 102 | S | A | -3.1551 | |
| 103 | R | A | -4.1500 | |
| 104 | K | A | -3.9881 | |
| 105 | T | A | -2.7981 | |
| 106 | T | A | -2.7323 | |
| 107 | E | A | -3.5674 | |
| 108 | K | A | -3.2943 | |
| 109 | L | A | -1.5757 | |
| 110 | L | A | -0.9338 | |
| 111 | K | A | -2.1109 | |
| 112 | T | A | -1.3531 | |
| 113 | G | A | -1.1268 | |
| 114 | T | A | -1.3235 | |
| 115 | L | A | -1.7864 | |
| 116 | K | A | -2.6228 | |
| 117 | A | A | -2.6108 | |
| 118 | Q | A | -3.4994 | |
| 119 | K | A | -3.9267 | |
| 120 | Q | A | -4.0666 | |
| 121 | Q | A | -3.7286 | |
| 122 | Q | A | -3.7314 | |
| 123 | E | A | -3.8633 | |
| 124 | R | A | -3.2188 | |
| 125 | I | A | -0.9269 | |
| 126 | A | A | -0.9078 | |
| 127 | A | A | -0.9424 | |
| 128 | T | A | -0.3820 | |
| 129 | V | A | 0.4794 | |
| 130 | T | A | 0.2393 | |
| 131 | G | A | 0.1299 | |
| 132 | Q | A | -0.3513 | |
| 133 | M | A | 0.0000 | |
| 134 | F | A | 0.1770 | |
| 135 | L | A | 0.7053 | |
| 136 | E | A | -0.4141 | |
| 137 | S | A | 0.0000 | |
| 138 | Q | A | -0.7897 | |
| 139 | E | A | -1.6318 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | R | A | -2.5997 | |
| 143 | L | A | -2.1928 | |
| 144 | F | A | 0.0000 | |
| 145 | G | A | -1.3846 | |
| 146 | I | A | 0.0000 | |
| 147 | P | A | 0.0794 | |
| 148 | Y | A | 0.0829 | |
| 149 | I | A | -0.3288 | |
| 150 | Q | A | -1.2093 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | -0.6137 | |
| 153 | M | A | -0.5423 | |
| 154 | E | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | E | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | I | A | -0.4889 | |
| 162 | L | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | L | A | -0.1935 | |
| 165 | T | A | -1.1711 | |
| 166 | D | A | -1.7963 | |
| 167 | Q | A | -1.1706 | |
| 168 | T | A | 0.0000 | |
| 169 | S | A | -0.6160 | |
| 170 | G | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | D | A | -1.4700 | |
| 175 | D | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | R | A | -0.1574 | |
| 185 | H | A | -0.1829 | |
| 186 | V | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | R | A | -1.0056 | |
| 189 | N | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | F | A | -1.0513 | |
| 192 | N | A | -2.1878 | |
| 193 | K | A | -2.9079 | |
| 194 | N | A | -2.7068 | |
| 195 | K | A | -2.2781 | |
| 196 | F | A | -0.1726 | |
| 197 | V | A | 0.0000 | |
| 198 | E | A | -1.5168 | |
| 199 | Y | A | -1.0722 | |
| 200 | Y | A | 0.0000 | |
| 201 | Q | A | -0.2180 | |
| 202 | Y | A | 0.1653 | |
| 203 | V | A | 0.7355 | |
| 204 | D | A | -0.3535 | |
| 205 | F | A | 0.0000 | |
| 206 | H | A | -1.0424 | |
| 207 | N | A | -1.6829 | |
| 208 | Q | A | -1.5494 | |
| 209 | L | A | -0.7693 | |
| 210 | G | A | -1.0128 | |
| 211 | L | A | 0.0000 | |
| 212 | D | A | -0.9967 | |
| 213 | R | A | -0.8945 | |
| 214 | N | A | -1.0209 | |
| 215 | K | A | -1.3006 | |
| 216 | L | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | D | A | -0.6018 | |
| 227 | Y | A | 0.0000 | |
| 228 | T | A | -0.7017 | |
| 229 | E | A | -0.9764 | |
| 230 | G | A | -0.5852 | |
| 231 | I | A | 0.0000 | |
| 232 | P | A | -0.6860 | |
| 233 | T | A | -0.4175 | |
| 234 | V | A | 0.0000 | |
| 235 | G | A | -0.0145 | |
| 236 | C | A | 0.2836 | |
| 237 | V | A | 1.5403 | |
| 238 | T | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | M | A | -0.1943 | |
| 241 | E | A | -1.0541 | |
| 242 | I | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | N | A | -1.8804 | |
| 245 | E | A | -1.5185 | |
| 246 | F | A | 0.0000 | |
| 247 | P | A | -1.4973 | |
| 248 | G | A | -1.7260 | |
| 249 | H | A | -1.7263 | |
| 250 | G | A | -1.1678 | |
| 251 | L | A | -0.8900 | |
| 252 | E | A | -1.5317 | |
| 253 | P | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | L | A | -0.7213 | |
| 256 | K | A | -1.8067 | |
| 257 | F | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | E | A | -2.6861 | |
| 260 | W | A | -2.0405 | |
| 261 | W | A | 0.0000 | |
| 262 | H | A | -3.3450 | |
| 263 | E | A | -3.7158 | |
| 264 | A | A | -2.6805 | |
| 265 | Q | A | -2.7535 | |
| 266 | K | A | -3.1806 | |
| 267 | N | A | -2.3463 | |
| 268 | P | A | -2.0110 | |
| 269 | K | A | -1.8335 | |
| 270 | I | A | -0.4505 | |
| 271 | R | A | -1.9105 | |
| 272 | P | A | -1.9442 | |
| 273 | N | A | -1.9897 | |
| 274 | P | A | -1.6575 | |
| 275 | H | A | -1.7823 | |
| 276 | D | A | 0.0000 | |
| 277 | T | A | -1.8725 | |
| 278 | K | A | -2.5512 | |
| 279 | V | A | 0.0000 | |
| 280 | K | A | -2.3337 | |
| 281 | K | A | -2.6816 | |
| 282 | K | A | -2.5281 | |
| 283 | L | A | 0.0000 | |
| 284 | R | A | -2.1872 | |
| 285 | T | A | -1.3779 | |
| 286 | L | A | 0.0000 | |
| 287 | Q | A | -1.4366 | |
| 288 | L | A | 0.0000 | |
| 289 | T | A | -0.7235 | |
| 290 | P | A | -0.6881 | |
| 291 | G | A | -0.7677 | |
| 292 | F | A | -0.5136 | |
| 293 | P | A | 0.0000 | |
| 294 | N | A | -1.1192 | |
| 295 | P | A | -0.9821 | |
| 296 | A | A | -0.8996 | |
| 297 | V | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | E | A | -2.2717 | |
| 300 | A | A | -0.7904 | |
| 301 | Y | A | 0.0000 | |
| 302 | L | A | -0.7787 | |
| 303 | K | A | -1.5138 | |
| 304 | P | A | -0.2011 | |
| 305 | V | A | 0.8687 | |
| 306 | V | A | -0.4015 | |
| 307 | D | A | -2.3129 | |
| 308 | D | A | -2.6731 | |
| 309 | S | A | -2.4443 | |
| 310 | K | A | -2.8873 | |
| 311 | G | A | -1.4965 | |
| 312 | S | A | -0.2838 | |
| 313 | F | A | 0.7046 | |
| 314 | L | A | 1.5126 | |
| 315 | W | A | 0.0159 | |
| 316 | G | A | -1.1104 | |
| 317 | K | A | -2.1642 | |
| 318 | P | A | 0.0000 | |
| 319 | D | A | -2.2525 | |
| 320 | L | A | -1.8617 | |
| 321 | D | A | -3.3262 | |
| 322 | K | A | -3.3229 | |
| 323 | I | A | 0.0000 | |
| 324 | R | A | -3.5791 | |
| 325 | E | A | -4.1670 | |
| 326 | F | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | Q | A | -3.5900 | |
| 329 | R | A | -2.9539 | |
| 330 | Y | A | -1.5932 | |
| 331 | F | A | -1.3169 | |
| 332 | G | A | -2.1935 | |
| 333 | W | A | -2.3644 | |
| 334 | N | A | -3.2787 | |
| 335 | R | A | -3.5854 | |
| 336 | T | A | -1.9898 | |
| 337 | K | A | -2.3368 | |
| 338 | T | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | E | A | -1.2049 | |
| 341 | S | A | -0.8379 | |
| 342 | L | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | L | A | -0.0657 | |
| 347 | L | A | 0.0000 | |
| 348 | Q | A | 0.0000 | |
| 349 | L | A | -0.9781 | |
| 350 | K | A | -1.1369 | |
| 351 | R | A | -1.3109 | |
| 352 | D | A | -1.7749 | |
| 353 | E | A | -1.7249 | |
| 354 | Y | A | -0.8773 | |
| 355 | Q | A | -1.5533 | |
| 356 | T | A | -0.8179 | |
| 357 | H | A | -0.6519 | |
| 358 | Y | A | 0.5109 | |
| 359 | V | A | 0.8566 | |
| 360 | D | A | -1.4490 | |
| 361 | A | A | -1.8589 | |
| 362 | E | A | -3.2785 | |
| 363 | E | A | -3.7856 | |
| 364 | E | A | -3.5655 | |
| 365 | E | A | -3.1059 | |
| 366 | I | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | Q | A | -1.6386 | |
| 369 | Y | A | -0.7907 | |
| 370 | V | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | G | A | -0.7705 | |
| 373 | T | A | -0.3992 | |
| 374 | L | A | 0.0000 | |
| 375 | Q | A | -1.3277 | |
| 376 | P | A | -1.6518 | |
| 377 | K | A | -2.1436 | |
| 378 | F | A | 0.0000 | |
| 379 | K | A | -2.1101 | |
| 380 | R | A | -2.6241 | |
| 381 | F | A | -1.0832 | |
| 382 | L | A | 0.0000 | |
| 383 | R | A | -1.6544 | |
| 384 | H | A | -1.5510 | |
| 385 | P | A | -1.1130 | |
| 386 | L | A | -1.2064 | |
| 387 | P | A | 0.0000 | |
| 388 | K | A | -2.6620 | |
| 389 | T | A | -2.4455 | |
| 390 | L | A | -1.9822 | |
| 391 | E | A | -2.7916 | |
| 392 | Q | A | -2.3710 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | -1.4555 | |
| 395 | Q | A | -2.2225 | |
| 396 | R | A | -1.7251 | |
| 397 | G | A | 0.0000 | |
| 398 | M | A | -1.5192 | |
| 399 | E | A | -2.3549 | |
| 400 | V | A | 0.0000 | |
| 401 | Q | A | -1.8008 | |
| 402 | D | A | -2.6385 | |
| 403 | G | A | -1.9607 | |
| 404 | L | A | -1.5234 | |
| 405 | E | A | -2.1758 | |
| 406 | Q | A | -2.2743 | |
| 407 | A | A | -1.0338 |
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