| Chain sequence(s) |
A: MLDKRCSGILLHPTSLPSRFGIGDLGDGAFQFIDFLADADQSVWQILPLGPTGFGNSPYLCYSALAINPWLISLDRLAEEGFLPPSLLDQAPPFTNPRVDYDQAIAYKSQVLKQAFAQFRTNIELAIEQEFAEFCQAQSDWLADYALFMAIKEAHNGAGWHQWDKDIAWREPEALKIWGDRLKTEVLYHQFLQFLGFRQWQEVKAYANQRHIAIFGDLPIYVAHDSADVWANPENFCLDPETGEAAMMAGVPPDYFSATGQLWGNPVYDWETLKATGFAWWIKRFKANLQYLDIVRIDHFRGFESYWGVPQGEKTAENGEWYPAPGKEFFQALGKALGDNLPIVAEDLGVITPEVEALRDEFNFPGMKVLHFAFDSDRGNPFLPFNYSNGNAVVYTGTHDNDTTVGWFQERSEDDQQKVINYLGCVCNEGIHWSLIRLASSSVAALAIFPLQDILGLGSDCRMNLPGTAAGNWGWRYHPDQLNDWLSGHLSFITELYGRRIYHTD
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:42)
[INFO] Main: Simulation completed successfully. (00:10:49)
|
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 | -0.6347 | |
| 2 | L | A | -1.0595 | |
| 3 | D | A | -2.4911 | |
| 4 | K | A | -2.4571 | |
| 5 | R | A | -1.4963 | |
| 6 | C | A | 0.0000 | |
| 7 | S | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | L | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | H | A | 0.0000 | |
| 13 | P | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | P | A | -1.3325 | |
| 18 | S | A | -1.2443 | |
| 19 | R | A | -1.5269 | |
| 20 | F | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | G | A | 0.0000 | |
| 27 | D | A | -2.1135 | |
| 28 | G | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | F | A | -0.8900 | |
| 31 | Q | A | -1.6936 | |
| 32 | F | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | D | A | -1.5558 | |
| 35 | F | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | A | A | -1.6636 | |
| 38 | D | A | -2.5351 | |
| 39 | A | A | 0.0000 | |
| 40 | D | A | -1.3193 | |
| 41 | Q | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | W | A | 0.0000 | |
| 45 | Q | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | G | A | 0.1123 | |
| 51 | P | A | 0.0000 | |
| 52 | T | A | 0.4642 | |
| 53 | G | A | 0.8218 | |
| 54 | F | A | 1.7940 | |
| 55 | G | A | 0.5721 | |
| 56 | N | A | 0.2904 | |
| 57 | S | A | 0.3452 | |
| 58 | P | A | 0.0000 | |
| 59 | Y | A | 0.3410 | |
| 60 | L | A | 0.7078 | |
| 61 | C | A | 0.4975 | |
| 62 | Y | A | 0.2241 | |
| 63 | S | A | 0.0000 | |
| 64 | A | A | 0.1194 | |
| 65 | L | A | 0.0000 | |
| 66 | A | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | N | A | 0.0000 | |
| 69 | P | A | 0.0000 | |
| 70 | W | A | 0.2790 | |
| 71 | L | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | D | A | -2.0761 | |
| 76 | R | A | -2.1632 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | -2.0507 | |
| 79 | E | A | -3.1391 | |
| 80 | E | A | -2.9444 | |
| 81 | G | A | -2.3440 | |
| 82 | F | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | P | A | -1.2151 | |
| 85 | P | A | -1.3818 | |
| 86 | S | A | -1.1069 | |
| 87 | L | A | -0.8875 | |
| 88 | L | A | 0.0000 | |
| 89 | D | A | -2.4162 | |
| 90 | Q | A | -2.0716 | |
| 91 | A | A | -1.3243 | |
| 92 | P | A | -0.8885 | |
| 93 | P | A | -0.7088 | |
| 94 | F | A | -0.7557 | |
| 95 | T | A | -0.8280 | |
| 96 | N | A | -1.3515 | |
| 97 | P | A | -1.1919 | |
| 98 | R | A | -1.1221 | |
| 99 | V | A | 0.0000 | |
| 100 | D | A | -1.7912 | |
| 101 | Y | A | -1.2670 | |
| 102 | D | A | -2.0650 | |
| 103 | Q | A | -1.4307 | |
| 104 | A | A | 0.0000 | |
| 105 | I | A | -0.4698 | |
| 106 | A | A | -0.6309 | |
| 107 | Y | A | -0.4789 | |
| 108 | K | A | 0.0000 | |
| 109 | S | A | -0.7801 | |
| 110 | Q | A | -1.5925 | |
| 111 | V | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -1.7938 | |
| 114 | Q | A | -1.6334 | |
| 115 | A | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | A | A | -1.2384 | |
| 118 | Q | A | -1.4543 | |
| 119 | F | A | 0.0000 | |
| 120 | R | A | -1.8786 | |
| 121 | T | A | -1.5007 | |
| 122 | N | A | -1.8048 | |
| 123 | I | A | -1.3978 | |
| 124 | E | A | -1.6277 | |
| 125 | L | A | -0.2187 | |
| 126 | A | A | -0.6860 | |
| 127 | I | A | -1.2749 | |
| 128 | E | A | -2.3137 | |
| 129 | Q | A | -2.3457 | |
| 130 | E | A | -2.0136 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | -1.9322 | |
| 133 | E | A | -2.5780 | |
| 134 | F | A | -1.5221 | |
| 135 | C | A | -1.3702 | |
| 136 | Q | A | -2.0518 | |
| 137 | A | A | -1.3180 | |
| 138 | Q | A | -1.3957 | |
| 139 | S | A | -1.7379 | |
| 140 | D | A | -2.2443 | |
| 141 | W | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | -0.6121 | |
| 144 | D | A | -0.5846 | |
| 145 | Y | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | -0.3168 | |
| 148 | F | A | 0.0000 | |
| 149 | M | A | -0.4850 | |
| 150 | A | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | K | A | 0.0000 | |
| 153 | E | A | -2.4850 | |
| 154 | A | A | -1.4427 | |
| 155 | H | A | -1.8861 | |
| 156 | N | A | -2.1969 | |
| 157 | G | A | -1.6936 | |
| 158 | A | A | -1.3377 | |
| 159 | G | A | -0.9764 | |
| 160 | W | A | 0.0000 | |
| 161 | H | A | -1.7679 | |
| 162 | Q | A | -2.1674 | |
| 163 | W | A | 0.0000 | |
| 164 | D | A | -3.4411 | |
| 165 | K | A | -3.9218 | |
| 166 | D | A | -3.6316 | |
| 167 | I | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | W | A | -1.5125 | |
| 170 | R | A | -1.8745 | |
| 171 | E | A | -2.4918 | |
| 172 | P | A | -1.9865 | |
| 173 | E | A | -2.7002 | |
| 174 | A | A | 0.0000 | |
| 175 | L | A | -1.8214 | |
| 176 | K | A | -2.6281 | |
| 177 | I | A | -1.3781 | |
| 178 | W | A | -1.5054 | |
| 179 | G | A | -2.3617 | |
| 180 | D | A | -3.3037 | |
| 181 | R | A | -3.1726 | |
| 182 | L | A | 0.0000 | |
| 183 | K | A | -2.7788 | |
| 184 | T | A | -1.5526 | |
| 185 | E | A | -1.4416 | |
| 186 | V | A | -0.9655 | |
| 187 | L | A | -0.3501 | |
| 188 | Y | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | Q | A | -0.0292 | |
| 191 | F | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | R | A | -1.0665 | |
| 199 | Q | A | 0.0000 | |
| 200 | W | A | 0.0000 | |
| 201 | Q | A | -1.3725 | |
| 202 | E | A | -0.9882 | |
| 203 | V | A | 0.0000 | |
| 204 | K | A | -0.8858 | |
| 205 | A | A | -0.9821 | |
| 206 | Y | A | -0.8529 | |
| 207 | A | A | 0.0000 | |
| 208 | N | A | -1.7111 | |
| 209 | Q | A | -1.9128 | |
| 210 | R | A | -1.9840 | |
| 211 | H | A | -1.6035 | |
| 212 | I | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | D | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | P | A | 0.0205 | |
| 220 | I | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | 0.0599 | |
| 224 | H | A | -0.3706 | |
| 225 | D | A | -0.5157 | |
| 226 | S | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | W | A | 0.0000 | |
| 231 | A | A | -0.5254 | |
| 232 | N | A | -1.0223 | |
| 233 | P | A | -1.1286 | |
| 234 | E | A | -2.0215 | |
| 235 | N | A | 0.0000 | |
| 236 | F | A | 0.0000 | |
| 237 | C | A | -0.4329 | |
| 238 | L | A | -0.8967 | |
| 239 | D | A | -1.2273 | |
| 240 | P | A | -1.5024 | |
| 241 | E | A | -2.3391 | |
| 242 | T | A | -1.7361 | |
| 243 | G | A | 0.0000 | |
| 244 | E | A | -1.5466 | |
| 245 | A | A | 0.0000 | |
| 246 | A | A | -0.4740 | |
| 247 | M | A | -0.3052 | |
| 248 | M | A | -0.1008 | |
| 249 | A | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | V | A | -0.0760 | |
| 252 | P | A | -0.8142 | |
| 253 | P | A | -0.4695 | |
| 254 | D | A | 0.6493 | |
| 255 | Y | A | 1.9919 | |
| 256 | F | A | 2.1958 | |
| 257 | S | A | 0.8711 | |
| 258 | A | A | 0.2064 | |
| 259 | T | A | -0.6739 | |
| 260 | G | A | -0.3799 | |
| 261 | Q | A | -0.5673 | |
| 262 | L | A | -0.3622 | |
| 263 | W | A | 0.2645 | |
| 264 | G | A | -0.3819 | |
| 265 | N | A | 0.0000 | |
| 266 | P | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | D | A | -1.6258 | |
| 270 | W | A | 0.0000 | |
| 271 | E | A | -2.3599 | |
| 272 | T | A | -1.7841 | |
| 273 | L | A | 0.0000 | |
| 274 | K | A | -1.8760 | |
| 275 | A | A | -0.9728 | |
| 276 | T | A | -0.7000 | |
| 277 | G | A | -0.8973 | |
| 278 | F | A | 0.0000 | |
| 279 | A | A | -0.2113 | |
| 280 | W | A | 0.0000 | |
| 281 | W | A | 0.0000 | |
| 282 | I | A | -0.3853 | |
| 283 | K | A | -1.0083 | |
| 284 | R | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | K | A | -1.3273 | |
| 287 | A | A | -1.1502 | |
| 288 | N | A | 0.0000 | |
| 289 | L | A | -0.7027 | |
| 290 | Q | A | -1.4926 | |
| 291 | Y | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | D | A | -0.6650 | |
| 294 | I | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | R | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | D | A | 0.0000 | |
| 299 | H | A | -0.3931 | |
| 300 | F | A | 0.0000 | |
| 301 | R | A | -0.5405 | |
| 302 | G | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | E | A | -1.2416 | |
| 305 | S | A | -0.4618 | |
| 306 | Y | A | 0.0000 | |
| 307 | W | A | -0.2345 | |
| 308 | G | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | P | A | -1.2691 | |
| 311 | Q | A | -1.3538 | |
| 312 | G | A | -1.4809 | |
| 313 | E | A | -2.1378 | |
| 314 | K | A | -2.4918 | |
| 315 | T | A | -1.7032 | |
| 316 | A | A | 0.0000 | |
| 317 | E | A | -2.6382 | |
| 318 | N | A | -2.7282 | |
| 319 | G | A | -1.7926 | |
| 320 | E | A | -1.9230 | |
| 321 | W | A | -0.1816 | |
| 322 | Y | A | 0.1341 | |
| 323 | P | A | 0.0056 | |
| 324 | A | A | -0.8658 | |
| 325 | P | A | -1.4258 | |
| 326 | G | A | 0.0000 | |
| 327 | K | A | -2.7397 | |
| 328 | E | A | -2.4739 | |
| 329 | F | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | Q | A | -2.5407 | |
| 332 | A | A | -1.6780 | |
| 333 | L | A | 0.0000 | |
| 334 | G | A | -2.0616 | |
| 335 | K | A | -2.2586 | |
| 336 | A | A | -1.1451 | |
| 337 | L | A | -0.7758 | |
| 338 | G | A | -1.8508 | |
| 339 | D | A | -2.8461 | |
| 340 | N | A | -2.1847 | |
| 341 | L | A | -1.0430 | |
| 342 | P | A | -0.6217 | |
| 343 | I | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | E | A | 0.0000 | |
| 347 | D | A | -0.1455 | |
| 348 | L | A | 0.4058 | |
| 349 | G | A | 0.8975 | |
| 350 | V | A | 1.8695 | |
| 351 | I | A | 0.6568 | |
| 352 | T | A | -0.4800 | |
| 353 | P | A | -1.4330 | |
| 354 | E | A | -2.4820 | |
| 355 | V | A | 0.0000 | |
| 356 | E | A | -2.4975 | |
| 357 | A | A | -2.5699 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -2.5694 | |
| 360 | D | A | -3.2304 | |
| 361 | E | A | -3.0946 | |
| 362 | F | A | -2.3436 | |
| 363 | N | A | -2.4612 | |
| 364 | F | A | 0.0000 | |
| 365 | P | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | M | A | 0.0000 | |
| 368 | K | A | -0.1433 | |
| 369 | V | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | H | A | 0.0000 | |
| 372 | F | A | -0.0945 | |
| 373 | A | A | 0.0000 | |
| 374 | F | A | 0.0000 | |
| 375 | D | A | -2.5508 | |
| 376 | S | A | -2.3666 | |
| 377 | D | A | -3.3185 | |
| 378 | R | A | -3.1021 | |
| 379 | G | A | -1.9704 | |
| 380 | N | A | 0.0000 | |
| 381 | P | A | -0.7316 | |
| 382 | F | A | -0.2012 | |
| 383 | L | A | 0.0000 | |
| 384 | P | A | 0.6165 | |
| 385 | F | A | 0.6274 | |
| 386 | N | A | -0.4144 | |
| 387 | Y | A | 0.0000 | |
| 388 | S | A | -0.7262 | |
| 389 | N | A | -1.2269 | |
| 390 | G | A | -1.0569 | |
| 391 | N | A | -1.7907 | |
| 392 | A | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | T | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | T | A | -0.3677 | |
| 399 | H | A | 0.0000 | |
| 400 | D | A | -0.6739 | |
| 401 | N | A | -0.4850 | |
| 402 | D | A | -0.7794 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | V | A | -0.1696 | |
| 406 | G | A | 0.0000 | |
| 407 | W | A | 0.0000 | |
| 408 | F | A | -1.2260 | |
| 409 | Q | A | -2.2555 | |
| 410 | E | A | -2.7291 | |
| 411 | R | A | -2.4571 | |
| 412 | S | A | -2.7367 | |
| 413 | E | A | -3.7679 | |
| 414 | D | A | -3.6153 | |
| 415 | D | A | -3.3805 | |
| 416 | Q | A | -2.9924 | |
| 417 | Q | A | -2.9906 | |
| 418 | K | A | -3.2127 | |
| 419 | V | A | 0.0000 | |
| 420 | I | A | -0.6542 | |
| 421 | N | A | -1.4563 | |
| 422 | Y | A | -0.3373 | |
| 423 | L | A | 0.2257 | |
| 424 | G | A | -0.2032 | |
| 425 | C | A | 0.7180 | |
| 426 | V | A | 0.6604 | |
| 427 | C | A | -0.1526 | |
| 428 | N | A | -1.2963 | |
| 429 | E | A | -1.2758 | |
| 430 | G | A | -0.5160 | |
| 431 | I | A | 0.0000 | |
| 432 | H | A | 0.0336 | |
| 433 | W | A | 0.0000 | |
| 434 | S | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | R | A | 0.0553 | |
| 438 | L | A | 0.1205 | |
| 439 | A | A | 0.0000 | |
| 440 | S | A | 0.0000 | |
| 441 | S | A | 0.3690 | |
| 442 | S | A | 0.0000 | |
| 443 | V | A | 1.1020 | |
| 444 | A | A | 0.0000 | |
| 445 | A | A | -0.9591 | |
| 446 | L | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | I | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | P | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | Q | A | 0.0000 | |
| 453 | D | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | L | A | 0.1994 | |
| 456 | G | A | 0.0105 | |
| 457 | L | A | -0.1534 | |
| 458 | G | A | -0.8051 | |
| 459 | S | A | -1.5089 | |
| 460 | D | A | -1.9765 | |
| 461 | C | A | -1.1125 | |
| 462 | R | A | -0.9978 | |
| 463 | M | A | 0.0000 | |
| 464 | N | A | 0.0000 | |
| 465 | L | A | 0.1132 | |
| 466 | P | A | -0.3248 | |
| 467 | G | A | -0.4112 | |
| 468 | T | A | -0.2081 | |
| 469 | A | A | 0.0919 | |
| 470 | A | A | 0.0079 | |
| 471 | G | A | -0.5714 | |
| 472 | N | A | 0.0000 | |
| 473 | W | A | 0.0000 | |
| 474 | G | A | 0.0000 | |
| 475 | W | A | 0.0000 | |
| 476 | R | A | -0.7466 | |
| 477 | Y | A | 0.0000 | |
| 478 | H | A | -1.8268 | |
| 479 | P | A | -1.9189 | |
| 480 | D | A | -2.5178 | |
| 481 | Q | A | -1.8727 | |
| 482 | L | A | -1.4949 | |
| 483 | N | A | -1.8524 | |
| 484 | D | A | -2.0140 | |
| 485 | W | A | -0.0651 | |
| 486 | L | A | 0.0000 | |
| 487 | S | A | -1.0955 | |
| 488 | G | A | -0.6449 | |
| 489 | H | A | 0.1583 | |
| 490 | L | A | 0.0000 | |
| 491 | S | A | -0.1707 | |
| 492 | F | A | 1.0989 | |
| 493 | I | A | 0.0000 | |
| 494 | T | A | 0.0000 | |
| 495 | E | A | -0.7570 | |
| 496 | L | A | 0.8904 | |
| 497 | Y | A | 0.1914 | |
| 498 | G | A | -0.5554 | |
| 499 | R | A | 0.0000 | |
| 500 | R | A | -0.6740 | |
| 501 | I | A | -0.2337 | |
| 502 | Y | A | 0.5810 | |
| 503 | H | A | -0.8505 | |
| 504 | T | A | -1.0152 | |
| 505 | D | A | -1.9109 |
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