| Chain sequence(s) |
A: AENAPLIRETDLGRVEGIDGEVQSFLGIPFAAPPVGDLRWRPPQPPPPWSGIRDATSFAPDCIGSERLRAGSRASSASEDCLYLNIWTPRRDSKEKLPVMVWIYGGGFVGGTASAPYYDGTALARKGVVVVTFNYRVGVLGFLAHPELTKENPHHASGNYGLLDMIAALQWVQRNIAAFGGDPDRVTVFGESAGASAIGLLMTSPLAKGLFHRAILQSPGLARPLATLAQSEQQGLALGEDLDALRAMPAEELMKLAAKLIPASRQITEPRVIGPILDGYVLTEPDRDAFAAGRFNKVPVLVGSNAEEGRAFTDQWPIKTLAQYRAYLRQQFGDDAPSWLKCYPATTDEDVDEAIIRLFGDNQFNHGIDMLTEAYAKWQVPLWRYRFDGVPGTGRLPATHGDEIPYVFGNLGPSSVSMFSSLEGGAGEADTKLADTMMAAWARFAAHGSPGHPKQLHWPRFDRGGKAMIFGSRVALGDVHGDTPSGPCPSYP
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 (00:04:11)
[INFO] Main: Simulation completed successfully. (00:04:14)
|
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 | A | A | -1.1642 | |
| 2 | E | A | -2.4239 | |
| 3 | N | A | -2.2356 | |
| 4 | A | A | -1.1251 | |
| 5 | P | A | -0.7522 | |
| 6 | L | A | -0.2023 | |
| 7 | I | A | -0.7004 | |
| 8 | R | A | -1.5087 | |
| 9 | E | A | -2.7399 | |
| 10 | T | A | -2.3382 | |
| 11 | D | A | -2.5123 | |
| 12 | L | A | -1.4561 | |
| 13 | G | A | -1.6635 | |
| 14 | R | A | -2.4463 | |
| 15 | V | A | 0.0000 | |
| 16 | E | A | -1.3448 | |
| 17 | G | A | 0.0000 | |
| 18 | I | A | 0.3588 | |
| 19 | D | A | -0.9391 | |
| 20 | G | A | -1.2888 | |
| 21 | E | A | -2.9059 | |
| 22 | V | A | -1.8162 | |
| 23 | Q | A | 0.0000 | |
| 24 | S | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | P | A | -0.0837 | |
| 30 | F | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | -0.3466 | |
| 33 | P | A | -0.2541 | |
| 34 | P | A | 0.0000 | |
| 35 | V | A | 0.0813 | |
| 36 | G | A | -1.0584 | |
| 37 | D | A | -1.9498 | |
| 38 | L | A | -0.7225 | |
| 39 | R | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | R | A | -0.6418 | |
| 42 | P | A | -0.2999 | |
| 43 | P | A | -0.4398 | |
| 44 | Q | A | -0.9163 | |
| 45 | P | A | -0.7029 | |
| 46 | P | A | 0.0000 | |
| 47 | P | A | -0.4529 | |
| 48 | P | A | -0.7455 | |
| 49 | W | A | -0.4126 | |
| 50 | S | A | -0.3554 | |
| 51 | G | A | -0.4233 | |
| 52 | I | A | -0.2851 | |
| 53 | R | A | -1.3103 | |
| 54 | D | A | -2.0128 | |
| 55 | A | A | 0.0000 | |
| 56 | T | A | -0.5994 | |
| 57 | S | A | -0.4935 | |
| 58 | F | A | -0.1830 | |
| 59 | A | A | -0.2193 | |
| 60 | P | A | -0.3562 | |
| 61 | D | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | I | A | -0.4071 | |
| 64 | G | A | -0.7613 | |
| 65 | S | A | -1.3093 | |
| 66 | E | A | -2.6471 | |
| 67 | R | A | -2.6532 | |
| 68 | L | A | -1.1866 | |
| 69 | R | A | -1.5117 | |
| 70 | A | A | -1.3044 | |
| 71 | G | A | -1.1009 | |
| 72 | S | A | -0.9937 | |
| 73 | R | A | -1.2132 | |
| 74 | A | A | -0.7060 | |
| 75 | S | A | -0.5403 | |
| 76 | S | A | -0.3530 | |
| 77 | A | A | -0.4279 | |
| 78 | S | A | -0.2047 | |
| 79 | E | A | -0.2242 | |
| 80 | D | A | -0.4422 | |
| 81 | C | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | Y | A | 0.0644 | |
| 84 | L | A | 0.0000 | |
| 85 | N | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | P | A | -2.5115 | |
| 90 | R | A | -3.6036 | |
| 91 | R | A | -4.2580 | |
| 92 | D | A | -3.6980 | |
| 93 | S | A | -3.4050 | |
| 94 | K | A | -3.6454 | |
| 95 | E | A | -3.6753 | |
| 96 | K | A | -2.6373 | |
| 97 | L | A | -1.3604 | |
| 98 | P | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | M | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | G | A | 0.0000 | |
| 106 | G | A | -0.2093 | |
| 107 | G | A | -0.1975 | |
| 108 | F | A | 0.0000 | |
| 109 | V | A | 0.1675 | |
| 110 | G | A | 0.0000 | |
| 111 | G | A | -0.4795 | |
| 112 | T | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | P | A | -0.5411 | |
| 117 | Y | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | D | A | -0.3053 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | -0.8665 | |
| 122 | A | A | -1.0531 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | R | A | -2.6367 | |
| 126 | K | A | -1.8915 | |
| 127 | G | A | -1.5304 | |
| 128 | V | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | N | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | R | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | H | A | 0.0000 | |
| 146 | P | A | -1.5514 | |
| 147 | E | A | -2.5593 | |
| 148 | L | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | K | A | -3.0304 | |
| 151 | E | A | -2.5371 | |
| 152 | N | A | 0.0000 | |
| 153 | P | A | -1.5373 | |
| 154 | H | A | -1.8136 | |
| 155 | H | A | -2.2779 | |
| 156 | A | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | N | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | L | A | 0.2516 | |
| 164 | D | A | 0.0000 | |
| 165 | M | A | 0.0000 | |
| 166 | I | A | 0.0123 | |
| 167 | A | A | -0.2182 | |
| 168 | A | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | Q | A | -0.9535 | |
| 171 | W | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | Q | A | -1.3200 | |
| 174 | R | A | -1.5133 | |
| 175 | N | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | A | A | -0.8633 | |
| 178 | A | A | -0.9889 | |
| 179 | F | A | 0.0000 | |
| 180 | G | A | -1.6638 | |
| 181 | G | A | 0.0000 | |
| 182 | D | A | -1.6275 | |
| 183 | P | A | -1.6058 | |
| 184 | D | A | -2.2936 | |
| 185 | R | A | -1.6734 | |
| 186 | V | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | S | A | -0.1143 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | M | A | 0.0000 | |
| 203 | T | A | -1.2175 | |
| 204 | S | A | 0.0000 | |
| 205 | P | A | -0.7511 | |
| 206 | L | A | -0.0591 | |
| 207 | A | A | 0.0000 | |
| 208 | K | A | -1.9898 | |
| 209 | G | A | -1.7073 | |
| 210 | L | A | -1.0718 | |
| 211 | F | A | 0.0000 | |
| 212 | H | A | -1.2522 | |
| 213 | R | A | -0.6465 | |
| 214 | A | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | P | A | 0.0000 | |
| 220 | G | A | -0.2390 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | R | A | -1.1098 | |
| 224 | P | A | -1.0756 | |
| 225 | L | A | -0.6082 | |
| 226 | A | A | 0.0000 | |
| 227 | T | A | -0.3098 | |
| 228 | L | A | -0.4531 | |
| 229 | A | A | -0.7543 | |
| 230 | Q | A | -1.4597 | |
| 231 | S | A | 0.0000 | |
| 232 | E | A | -1.0854 | |
| 233 | Q | A | -1.6651 | |
| 234 | Q | A | -0.7818 | |
| 235 | G | A | 0.0000 | |
| 236 | L | A | -0.7416 | |
| 237 | A | A | -0.4978 | |
| 238 | L | A | 0.0000 | |
| 239 | G | A | -1.3497 | |
| 240 | E | A | -2.6563 | |
| 241 | D | A | -2.7186 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | -2.7864 | |
| 244 | A | A | -1.4929 | |
| 245 | L | A | 0.0000 | |
| 246 | R | A | -1.2591 | |
| 247 | A | A | -0.6807 | |
| 248 | M | A | -0.7843 | |
| 249 | P | A | -1.0541 | |
| 250 | A | A | 0.0000 | |
| 251 | E | A | -2.6973 | |
| 252 | E | A | -2.5386 | |
| 253 | L | A | 0.0000 | |
| 254 | M | A | -1.7044 | |
| 255 | K | A | -2.6368 | |
| 256 | L | A | -1.2768 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | -0.7967 | |
| 259 | K | A | -1.3938 | |
| 260 | L | A | -0.0729 | |
| 261 | I | A | 0.6097 | |
| 262 | P | A | -0.1645 | |
| 263 | A | A | -0.1666 | |
| 264 | S | A | -0.4223 | |
| 265 | R | A | -1.1315 | |
| 266 | Q | A | -1.7359 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -1.5110 | |
| 269 | E | A | -2.4290 | |
| 270 | P | A | -1.7312 | |
| 271 | R | A | -1.6171 | |
| 272 | V | A | -0.3922 | |
| 273 | I | A | 0.0000 | |
| 274 | G | A | 0.0000 | |
| 275 | P | A | -0.0733 | |
| 276 | I | A | 0.0000 | |
| 277 | L | A | 0.0036 | |
| 278 | D | A | 0.0000 | |
| 279 | G | A | -0.5982 | |
| 280 | Y | A | -0.2767 | |
| 281 | V | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -0.3464 | |
| 284 | E | A | -1.0516 | |
| 285 | P | A | -0.9638 | |
| 286 | D | A | 0.0000 | |
| 287 | R | A | -1.4004 | |
| 288 | D | A | -2.2858 | |
| 289 | A | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | A | A | -1.3755 | |
| 292 | A | A | -1.2140 | |
| 293 | G | A | -1.5713 | |
| 294 | R | A | -2.4261 | |
| 295 | F | A | 0.0000 | |
| 296 | N | A | -1.7829 | |
| 297 | K | A | -2.1179 | |
| 298 | V | A | -0.7784 | |
| 299 | P | A | -0.5168 | |
| 300 | V | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | A | A | -0.4867 | |
| 307 | E | A | -0.7308 | |
| 308 | E | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | R | A | -1.4875 | |
| 311 | A | A | -0.5192 | |
| 312 | F | A | -0.3294 | |
| 313 | T | A | 0.0000 | |
| 314 | D | A | -3.0145 | |
| 315 | Q | A | -2.3007 | |
| 316 | W | A | -1.5182 | |
| 317 | P | A | -1.1440 | |
| 318 | I | A | -1.7124 | |
| 319 | K | A | -3.1493 | |
| 320 | T | A | -2.1624 | |
| 321 | L | A | -1.5741 | |
| 322 | A | A | -0.7941 | |
| 323 | Q | A | -1.3801 | |
| 324 | Y | A | 0.0000 | |
| 325 | R | A | -1.5801 | |
| 326 | A | A | -1.4857 | |
| 327 | Y | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | R | A | -3.3756 | |
| 330 | Q | A | -2.5313 | |
| 331 | Q | A | 0.0000 | |
| 332 | F | A | -1.7971 | |
| 333 | G | A | -2.5793 | |
| 334 | D | A | -2.9989 | |
| 335 | D | A | -2.3038 | |
| 336 | A | A | 0.0000 | |
| 337 | P | A | -1.7375 | |
| 338 | S | A | -1.2446 | |
| 339 | W | A | 0.0000 | |
| 340 | L | A | -1.2586 | |
| 341 | K | A | -1.7812 | |
| 342 | C | A | -1.0296 | |
| 343 | Y | A | 0.0000 | |
| 344 | P | A | -1.2150 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | -0.7890 | |
| 347 | T | A | -1.6247 | |
| 348 | D | A | -3.0619 | |
| 349 | E | A | -3.7092 | |
| 350 | D | A | -3.2180 | |
| 351 | V | A | 0.0000 | |
| 352 | D | A | -4.4218 | |
| 353 | E | A | -3.7116 | |
| 354 | A | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | R | A | -1.8552 | |
| 358 | L | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | D | A | -0.6947 | |
| 362 | N | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | N | A | -0.5701 | |
| 366 | H | A | -0.5444 | |
| 367 | G | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | D | A | -1.1201 | |
| 370 | M | A | -0.7109 | |
| 371 | L | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -2.4406 | |
| 374 | A | A | 0.0000 | |
| 375 | Y | A | 0.0000 | |
| 376 | A | A | -2.2703 | |
| 377 | K | A | -2.3282 | |
| 378 | W | A | -1.3093 | |
| 379 | Q | A | -1.9452 | |
| 380 | V | A | -1.1275 | |
| 381 | P | A | -1.0694 | |
| 382 | L | A | 0.0000 | |
| 383 | W | A | 0.0000 | |
| 384 | R | A | 0.0000 | |
| 385 | Y | A | 0.0000 | |
| 386 | R | A | -0.5234 | |
| 387 | F | A | 0.0000 | |
| 388 | D | A | -0.7455 | |
| 389 | G | A | 0.0000 | |
| 390 | V | A | -0.4429 | |
| 391 | P | A | -0.4372 | |
| 392 | G | A | -0.9221 | |
| 393 | T | A | -0.8147 | |
| 394 | G | A | -1.0281 | |
| 395 | R | A | -0.8408 | |
| 396 | L | A | 0.1890 | |
| 397 | P | A | -0.0809 | |
| 398 | A | A | 0.0000 | |
| 399 | T | A | -0.1064 | |
| 400 | H | A | -0.1692 | |
| 401 | G | A | 0.0000 | |
| 402 | D | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | Y | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | G | A | -0.7921 | |
| 410 | N | A | -0.3235 | |
| 411 | L | A | -0.1057 | |
| 412 | G | A | -0.3258 | |
| 413 | P | A | -0.2613 | |
| 414 | S | A | -0.2213 | |
| 415 | S | A | 0.0000 | |
| 416 | V | A | -0.3497 | |
| 417 | S | A | -0.3466 | |
| 418 | M | A | 0.2248 | |
| 419 | F | A | 0.0000 | |
| 420 | S | A | -0.4898 | |
| 421 | S | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | E | A | -2.0467 | |
| 424 | G | A | -1.5837 | |
| 425 | G | A | -1.0071 | |
| 426 | A | A | -0.9195 | |
| 427 | G | A | -1.3605 | |
| 428 | E | A | -2.3471 | |
| 429 | A | A | -1.9157 | |
| 430 | D | A | 0.0000 | |
| 431 | T | A | -1.9907 | |
| 432 | K | A | -2.8179 | |
| 433 | L | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | D | A | -2.4094 | |
| 436 | T | A | -1.3643 | |
| 437 | M | A | 0.0000 | |
| 438 | M | A | 0.0000 | |
| 439 | A | A | -0.9691 | |
| 440 | A | A | 0.0000 | |
| 441 | W | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | R | A | -0.7959 | |
| 444 | F | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | A | A | -0.7125 | |
| 447 | H | A | -1.1900 | |
| 448 | G | A | 0.0000 | |
| 449 | S | A | -0.8890 | |
| 450 | P | A | 0.0000 | |
| 451 | G | A | -1.5118 | |
| 452 | H | A | -1.7476 | |
| 453 | P | A | -1.8535 | |
| 454 | K | A | -2.7171 | |
| 455 | Q | A | -2.4404 | |
| 456 | L | A | 0.0000 | |
| 457 | H | A | -1.7616 | |
| 458 | W | A | 0.0000 | |
| 459 | P | A | -1.6279 | |
| 460 | R | A | -2.6496 | |
| 461 | F | A | -2.4179 | |
| 462 | D | A | -3.7383 | |
| 463 | R | A | -3.7371 | |
| 464 | G | A | -2.3276 | |
| 465 | G | A | -2.5705 | |
| 466 | K | A | -2.3698 | |
| 467 | A | A | 0.0000 | |
| 468 | M | A | 0.0000 | |
| 469 | I | A | -0.4804 | |
| 470 | F | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | S | A | -1.0754 | |
| 473 | R | A | -1.6216 | |
| 474 | V | A | -0.3162 | |
| 475 | A | A | -0.2096 | |
| 476 | L | A | -0.3425 | |
| 477 | G | A | -1.0029 | |
| 478 | D | A | -2.4834 | |
| 479 | V | A | -1.4452 | |
| 480 | H | A | -1.6488 | |
| 481 | G | A | -1.9361 | |
| 482 | D | A | -2.3584 | |
| 483 | T | A | -1.6024 | |
| 484 | P | A | -1.0394 | |
| 485 | S | A | -0.8945 | |
| 486 | G | A | -0.8352 | |
| 487 | P | A | -0.6140 | |
| 488 | C | A | -0.3484 | |
| 489 | P | A | -0.4860 | |
| 490 | S | A | -0.2920 | |
| 491 | Y | A | 0.0000 | |
| 492 | P | A | -0.5742 |
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