| Chain sequence(s) |
A: MDSGYSSSYAAAAGMHVVICPWLAFGHLLPCLDLAQRLASRGHRVSFVSTPRNISRLPPVRPALAPLVAFVALPLPRVEGLPDGAESTNDVPHDRPDMVELHRRAFDGLAAPFSEFLGTACADWVIVDVFHHWAAAAALEHKVPCAMMLLGSAHMIASIADRRLERAETESPAAAGQGRPAAAPTFEVARMKPIRTKGSSGMSLAERFSLTLSRSSLVVGRSCVEFEPETVPLLSTLRGKPITFLGLMPPLREGRREDGEDATVRWLDAQPAKSVVYVALGSEVPLGVEKVHELALGLELAGTRFLWALRKPTGVSDADLLPAGFEERTRGRGVVATRWVPQMSILAHAAVGAFLTHCGWSSTIEGLMFGHPLIMLPIFGDQGPNARLIEAKNAGLQVARNDGDGSFDREGVAAAIRAVAVEEESSKVFQAKAKKLQEIVADMACHERYIDGFIQQLRSYKDHHHHHH
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:37)
[INFO] Main: Simulation completed successfully. (00:05:40)
|
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 | -1.3674 | |
| 2 | D | A | -1.9058 | |
| 3 | S | A | -1.0733 | |
| 4 | G | A | -0.7407 | |
| 5 | Y | A | 0.1641 | |
| 6 | S | A | 0.0392 | |
| 7 | S | A | -0.1191 | |
| 8 | S | A | -0.0421 | |
| 9 | Y | A | 0.3842 | |
| 10 | A | A | -0.0111 | |
| 11 | A | A | -0.0129 | |
| 12 | A | A | 0.0657 | |
| 13 | A | A | 0.0000 | |
| 14 | G | A | -0.6550 | |
| 15 | M | A | 0.0000 | |
| 16 | H | A | -0.6201 | |
| 17 | V | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | P | A | 0.0000 | |
| 22 | W | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | F | A | -0.1040 | |
| 26 | G | A | -0.4166 | |
| 27 | H | A | -0.2033 | |
| 28 | L | A | 0.0000 | |
| 29 | L | A | 0.1720 | |
| 30 | P | A | 0.0000 | |
| 31 | C | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | D | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | Q | A | 0.0000 | |
| 37 | R | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | S | A | 0.0000 | |
| 41 | R | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | H | A | 0.0000 | |
| 44 | R | A | -1.3410 | |
| 45 | V | A | 0.0000 | |
| 46 | S | A | 0.0000 | |
| 47 | F | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | P | A | -0.6516 | |
| 52 | R | A | -1.3921 | |
| 53 | N | A | 0.0000 | |
| 54 | I | A | -0.1466 | |
| 55 | S | A | -0.6508 | |
| 56 | R | A | -0.7335 | |
| 57 | L | A | -0.1482 | |
| 58 | P | A | -0.6383 | |
| 59 | P | A | -0.8014 | |
| 60 | V | A | -0.6755 | |
| 61 | R | A | -1.8742 | |
| 62 | P | A | -0.7457 | |
| 63 | A | A | -0.6438 | |
| 64 | L | A | 0.0000 | |
| 65 | A | A | -0.3792 | |
| 66 | P | A | -0.4341 | |
| 67 | L | A | -0.3028 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | 0.3124 | |
| 70 | F | A | 1.0422 | |
| 71 | V | A | 0.7408 | |
| 72 | A | A | 0.1796 | |
| 73 | L | A | 0.0000 | |
| 74 | P | A | -0.6598 | |
| 75 | L | A | -0.8977 | |
| 76 | P | A | -1.4626 | |
| 77 | R | A | -2.7807 | |
| 78 | V | A | -2.1792 | |
| 79 | E | A | -2.5079 | |
| 80 | G | A | -1.8212 | |
| 81 | L | A | -1.7124 | |
| 82 | P | A | -1.6559 | |
| 83 | D | A | -2.5059 | |
| 84 | G | A | -1.6434 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -1.1040 | |
| 87 | S | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | D | A | -0.6391 | |
| 91 | V | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | H | A | -1.8640 | |
| 94 | D | A | -2.8412 | |
| 95 | R | A | -2.7359 | |
| 96 | P | A | -2.0543 | |
| 97 | D | A | -2.1578 | |
| 98 | M | A | -1.4791 | |
| 99 | V | A | -1.1993 | |
| 100 | E | A | -1.4612 | |
| 101 | L | A | -1.3971 | |
| 102 | H | A | 0.0000 | |
| 103 | R | A | -1.1293 | |
| 104 | R | A | -1.9804 | |
| 105 | A | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | D | A | -0.9925 | |
| 108 | G | A | -1.0758 | |
| 109 | L | A | 0.0000 | |
| 110 | A | A | -0.4388 | |
| 111 | A | A | -0.5261 | |
| 112 | P | A | -0.7492 | |
| 113 | F | A | 0.0000 | |
| 114 | S | A | -1.3026 | |
| 115 | E | A | -1.9059 | |
| 116 | F | A | -0.6433 | |
| 117 | L | A | 0.0000 | |
| 118 | G | A | -1.4191 | |
| 119 | T | A | -0.4064 | |
| 120 | A | A | -0.0570 | |
| 121 | C | A | 0.5186 | |
| 122 | A | A | -0.2785 | |
| 123 | D | A | -0.6519 | |
| 124 | W | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | D | A | 0.0000 | |
| 129 | V | A | 0.4863 | |
| 130 | F | A | 0.3415 | |
| 131 | H | A | 0.0000 | |
| 132 | H | A | 0.0000 | |
| 133 | W | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | A | A | -0.4416 | |
| 137 | A | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | -0.7479 | |
| 140 | E | A | -2.1198 | |
| 141 | H | A | -2.0295 | |
| 142 | K | A | -2.2145 | |
| 143 | V | A | 0.0000 | |
| 144 | P | A | -0.4652 | |
| 145 | C | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | M | A | 0.0000 | |
| 148 | M | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | L | A | 0.0498 | |
| 151 | G | A | 0.0000 | |
| 152 | S | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | M | A | -0.1667 | |
| 156 | I | A | 0.0000 | |
| 157 | A | A | -0.4438 | |
| 158 | S | A | 0.0000 | |
| 159 | I | A | -1.2837 | |
| 160 | A | A | -1.7214 | |
| 161 | D | A | -3.2399 | |
| 162 | R | A | -3.6283 | |
| 163 | R | A | -3.0832 | |
| 164 | L | A | -2.4869 | |
| 165 | E | A | -3.8086 | |
| 166 | R | A | -3.9163 | |
| 167 | A | A | 0.0000 | |
| 168 | E | A | -3.2062 | |
| 169 | T | A | -2.4976 | |
| 170 | E | A | -3.0456 | |
| 171 | S | A | -1.5635 | |
| 172 | P | A | -1.0643 | |
| 173 | A | A | -0.4865 | |
| 174 | A | A | -0.8905 | |
| 175 | A | A | -0.8332 | |
| 176 | G | A | -1.4718 | |
| 177 | Q | A | -2.0769 | |
| 178 | G | A | -2.4491 | |
| 179 | R | A | -2.6301 | |
| 180 | P | A | 0.0000 | |
| 181 | A | A | -0.8667 | |
| 182 | A | A | -1.0966 | |
| 183 | A | A | 0.0000 | |
| 184 | P | A | -1.4404 | |
| 185 | T | A | -1.8182 | |
| 186 | F | A | 0.0000 | |
| 187 | E | A | 0.0000 | |
| 188 | V | A | -1.2519 | |
| 189 | A | A | -1.3415 | |
| 190 | R | A | -1.4064 | |
| 191 | M | A | -1.3949 | |
| 192 | K | A | -2.2933 | |
| 193 | P | A | -1.7847 | |
| 194 | I | A | -1.2378 | |
| 195 | R | A | -2.5614 | |
| 196 | T | A | -2.1143 | |
| 197 | K | A | -2.3424 | |
| 198 | G | A | -1.8990 | |
| 199 | S | A | -1.3551 | |
| 200 | S | A | -1.5298 | |
| 201 | G | A | -1.2317 | |
| 202 | M | A | -1.2737 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | -0.3038 | |
| 205 | A | A | -0.8047 | |
| 206 | E | A | -1.1144 | |
| 207 | R | A | 0.0000 | |
| 208 | F | A | 0.2409 | |
| 209 | S | A | -0.3995 | |
| 210 | L | A | 0.0756 | |
| 211 | T | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -0.6669 | |
| 214 | R | A | -0.2784 | |
| 215 | S | A | 0.0000 | |
| 216 | S | A | -0.2863 | |
| 217 | L | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | R | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | C | A | 0.0000 | |
| 224 | V | A | -0.2399 | |
| 225 | E | A | -0.8754 | |
| 226 | F | A | 0.0000 | |
| 227 | E | A | 0.0000 | |
| 228 | P | A | -0.9513 | |
| 229 | E | A | -1.8566 | |
| 230 | T | A | -0.2846 | |
| 231 | V | A | 0.1769 | |
| 232 | P | A | 0.2710 | |
| 233 | L | A | 1.1338 | |
| 234 | L | A | 0.6357 | |
| 235 | S | A | -0.0634 | |
| 236 | T | A | -0.6610 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -2.3978 | |
| 239 | G | A | -1.6186 | |
| 240 | K | A | -1.2841 | |
| 241 | P | A | -0.6828 | |
| 242 | I | A | -0.1948 | |
| 243 | T | A | 0.0026 | |
| 244 | F | A | 0.3644 | |
| 245 | L | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | M | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | L | A | -1.2706 | |
| 252 | R | A | -2.3637 | |
| 253 | E | A | -3.0418 | |
| 254 | G | A | -2.2725 | |
| 255 | R | A | 0.0000 | |
| 256 | R | A | -3.3901 | |
| 257 | E | A | -2.9848 | |
| 258 | D | A | -3.2060 | |
| 259 | G | A | -2.8672 | |
| 260 | E | A | -3.1109 | |
| 261 | D | A | -2.1598 | |
| 262 | A | A | -1.5159 | |
| 263 | T | A | 0.0000 | |
| 264 | V | A | -1.9131 | |
| 265 | R | A | -2.7818 | |
| 266 | W | A | -1.2502 | |
| 267 | L | A | 0.0000 | |
| 268 | D | A | -2.3777 | |
| 269 | A | A | -1.2292 | |
| 270 | Q | A | -1.3229 | |
| 271 | P | A | -1.0092 | |
| 272 | A | A | -1.1301 | |
| 273 | K | A | -1.8779 | |
| 274 | S | A | -1.0886 | |
| 275 | V | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | G | A | -0.5170 | |
| 282 | S | A | -0.5237 | |
| 283 | E | A | -1.1175 | |
| 284 | V | A | 0.0000 | |
| 285 | P | A | -0.9136 | |
| 286 | L | A | 0.0000 | |
| 287 | G | A | -1.4355 | |
| 288 | V | A | -1.3487 | |
| 289 | E | A | -2.3346 | |
| 290 | K | A | -2.0131 | |
| 291 | V | A | 0.0000 | |
| 292 | H | A | -1.5315 | |
| 293 | E | A | -1.9606 | |
| 294 | L | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | -0.4990 | |
| 297 | G | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | E | A | -0.4690 | |
| 300 | L | A | 0.3141 | |
| 301 | A | A | 0.0000 | |
| 302 | G | A | -0.4245 | |
| 303 | T | A | -0.5879 | |
| 304 | R | A | -1.4969 | |
| 305 | F | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | W | A | 0.0000 | |
| 308 | A | A | -0.1650 | |
| 309 | L | A | 0.0000 | |
| 310 | R | A | -1.1003 | |
| 311 | K | A | -1.5580 | |
| 312 | P | A | -1.1214 | |
| 313 | T | A | -0.7205 | |
| 314 | G | A | -0.7187 | |
| 315 | V | A | -0.9991 | |
| 316 | S | A | -1.6814 | |
| 317 | D | A | -2.4804 | |
| 318 | A | A | -1.6562 | |
| 319 | D | A | -2.2418 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | -1.2503 | |
| 322 | P | A | -0.8661 | |
| 323 | A | A | -1.0058 | |
| 324 | G | A | -1.8838 | |
| 325 | F | A | 0.0000 | |
| 326 | E | A | -3.6756 | |
| 327 | E | A | -4.0705 | |
| 328 | R | A | -3.4099 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -3.7441 | |
| 331 | G | A | -2.2040 | |
| 332 | R | A | -1.8283 | |
| 333 | G | A | -1.5733 | |
| 334 | V | A | -0.3468 | |
| 335 | V | A | 0.0801 | |
| 336 | A | A | 0.0000 | |
| 337 | T | A | -0.8776 | |
| 338 | R | A | -0.9376 | |
| 339 | W | A | 0.4010 | |
| 340 | V | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | Q | A | -0.0852 | |
| 343 | M | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | A | A | -0.1265 | |
| 348 | H | A | -0.5730 | |
| 349 | A | A | -0.7403 | |
| 350 | A | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | G | A | -0.9782 | |
| 353 | A | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | H | A | -0.2058 | |
| 358 | C | A | 0.0000 | |
| 359 | G | A | -0.3403 | |
| 360 | W | A | 0.0000 | |
| 361 | S | A | -0.1152 | |
| 362 | S | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | E | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | F | A | -0.1579 | |
| 370 | G | A | 0.0000 | |
| 371 | H | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | P | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | F | A | -0.1978 | |
| 380 | G | A | -0.6069 | |
| 381 | D | A | -0.7260 | |
| 382 | Q | A | 0.0000 | |
| 383 | G | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | N | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | R | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | E | A | -1.9565 | |
| 391 | A | A | -1.9359 | |
| 392 | K | A | -1.7497 | |
| 393 | N | A | -1.3464 | |
| 394 | A | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | L | A | -0.2753 | |
| 397 | Q | A | -0.4721 | |
| 398 | V | A | 0.0000 | |
| 399 | A | A | -0.9506 | |
| 400 | R | A | -1.7579 | |
| 401 | N | A | -2.6763 | |
| 402 | D | A | -2.5715 | |
| 403 | G | A | -2.3062 | |
| 404 | D | A | -2.8334 | |
| 405 | G | A | 0.0000 | |
| 406 | S | A | -1.7854 | |
| 407 | F | A | 0.0000 | |
| 408 | D | A | -2.8434 | |
| 409 | R | A | -2.2101 | |
| 410 | E | A | -2.3727 | |
| 411 | G | A | -1.7727 | |
| 412 | V | A | 0.0000 | |
| 413 | A | A | -1.0663 | |
| 414 | A | A | -0.8253 | |
| 415 | A | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | R | A | -1.3237 | |
| 418 | A | A | -1.3683 | |
| 419 | V | A | 0.0000 | |
| 420 | A | A | -1.0661 | |
| 421 | V | A | -1.2009 | |
| 422 | E | A | -2.8258 | |
| 423 | E | A | -3.5716 | |
| 424 | E | A | -3.2624 | |
| 425 | S | A | -2.1076 | |
| 426 | S | A | -2.0862 | |
| 427 | K | A | -2.5489 | |
| 428 | V | A | -1.0648 | |
| 429 | F | A | -1.0224 | |
| 430 | Q | A | -1.4784 | |
| 431 | A | A | -1.6401 | |
| 432 | K | A | -2.0654 | |
| 433 | A | A | 0.0000 | |
| 434 | K | A | -2.9037 | |
| 435 | K | A | -3.2105 | |
| 436 | L | A | 0.0000 | |
| 437 | Q | A | -2.3184 | |
| 438 | E | A | -2.8153 | |
| 439 | I | A | -1.5374 | |
| 440 | V | A | 0.0000 | |
| 441 | A | A | -0.8066 | |
| 442 | D | A | -1.4085 | |
| 443 | M | A | -0.6553 | |
| 444 | A | A | -0.6782 | |
| 445 | C | A | -0.8610 | |
| 446 | H | A | 0.0000 | |
| 447 | E | A | -1.4726 | |
| 448 | R | A | -2.2564 | |
| 449 | Y | A | -1.2836 | |
| 450 | I | A | 0.0000 | |
| 451 | D | A | -2.1943 | |
| 452 | G | A | -1.9006 | |
| 453 | F | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | Q | A | -2.0688 | |
| 456 | Q | A | -1.7131 | |
| 457 | L | A | 0.0000 | |
| 458 | R | A | -2.0837 | |
| 459 | S | A | -1.8272 | |
| 460 | Y | A | -1.5003 | |
| 461 | K | A | -2.3689 | |
| 462 | D | A | -3.3265 | |
| 463 | H | A | -3.0845 | |
| 464 | H | A | -2.9718 | |
| 465 | H | A | -3.1754 | |
| 466 | H | A | -3.1744 | |
| 467 | H | A | -2.8429 | |
| 468 | H | A | -2.2875 |
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