| Chain sequence(s) |
A: MTASSYRRIAVLDIGKTNAKVVVLDAGTGAEIAVLKRPNTAIKTGPYPHYDIEALWSFALDSLKRLAQAPGFDAISITTHGAAAALLDRDGTLAMPVIDYEHEYPQEIRDAYTALRPSFDETFSPRLSMGLNVGAQLHYQKSVFPEEFAKVATILTYAQYWTARLTGVAANELTSLGCHTDLWNPRAGDYSSLVDRLGIRALMAPVRSAFDALGPVLPEVAAELALAAPVQVYCGIHDSNASLLPHLVHREAPFAVVSTGTWVINFGVGGDLDHLDQKRDALANVDAYGRAVPSSRFMGGREFEILSAEIGPVDEQAAQAAIGPVVEKSMMLLPNIAPGSGPFPDKASQWIGAEQASREERHAAACLYLALMTDACLGLIGAKGPIIVEGPFALNEAYLKLLAALAGREVLALPGTTGTSQGAALLTGIRPVSGAETDVPPQDFPGLAAYRDRWYAAMA
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 (00:03:34)
[INFO] Main: Simulation completed successfully. (00:03:36)
|
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 | 0.9928 | |
| 2 | T | A | 0.3871 | |
| 3 | A | A | 0.0262 | |
| 4 | S | A | -0.2850 | |
| 5 | S | A | -0.7705 | |
| 6 | Y | A | -1.2120 | |
| 7 | R | A | -2.1843 | |
| 8 | R | A | -1.7021 | |
| 9 | I | A | 0.0000 | |
| 10 | A | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | G | A | -1.3553 | |
| 16 | K | A | -2.0909 | |
| 17 | T | A | -1.4723 | |
| 18 | N | A | -2.0583 | |
| 19 | A | A | 0.0000 | |
| 20 | K | A | -0.9835 | |
| 21 | V | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | D | A | 0.0000 | |
| 26 | A | A | -1.2666 | |
| 27 | G | A | -0.9017 | |
| 28 | T | A | -0.3702 | |
| 29 | G | A | -0.4863 | |
| 30 | A | A | -0.2872 | |
| 31 | E | A | -0.7329 | |
| 32 | I | A | 0.5200 | |
| 33 | A | A | 0.7156 | |
| 34 | V | A | 0.8130 | |
| 35 | L | A | -0.5291 | |
| 36 | K | A | -1.8322 | |
| 37 | R | A | -1.6590 | |
| 38 | P | A | -1.5054 | |
| 39 | N | A | 0.0000 | |
| 40 | T | A | -0.8494 | |
| 41 | A | A | -0.9029 | |
| 42 | I | A | -0.5733 | |
| 43 | K | A | -1.7231 | |
| 44 | T | A | -1.0095 | |
| 45 | G | A | -0.9082 | |
| 46 | P | A | -0.5663 | |
| 47 | Y | A | 0.0000 | |
| 48 | P | A | -1.4194 | |
| 49 | H | A | -0.8790 | |
| 50 | Y | A | 0.0000 | |
| 51 | D | A | -1.0606 | |
| 52 | I | A | 0.0000 | |
| 53 | E | A | -1.9214 | |
| 54 | A | A | -1.0442 | |
| 55 | L | A | 0.0000 | |
| 56 | W | A | -0.8718 | |
| 57 | S | A | -0.9630 | |
| 58 | F | A | -1.0892 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.4442 | |
| 61 | D | A | -2.6316 | |
| 62 | S | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.7983 | |
| 65 | R | A | -3.0486 | |
| 66 | L | A | 0.0000 | |
| 67 | A | A | -1.6892 | |
| 68 | Q | A | -1.9273 | |
| 69 | A | A | -1.1447 | |
| 70 | P | A | -0.5992 | |
| 71 | G | A | -1.2689 | |
| 72 | F | A | 0.0000 | |
| 73 | D | A | -1.4957 | |
| 74 | A | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | H | A | 0.0000 | |
| 81 | G | A | -0.3713 | |
| 82 | A | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | D | A | -2.3650 | |
| 89 | R | A | -3.2052 | |
| 90 | D | A | -2.8838 | |
| 91 | G | A | -1.8574 | |
| 92 | T | A | -1.0612 | |
| 93 | L | A | -0.4689 | |
| 94 | A | A | -1.2028 | |
| 95 | M | A | 0.0000 | |
| 96 | P | A | -0.1231 | |
| 97 | V | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.4463 | |
| 100 | Y | A | 0.0000 | |
| 101 | E | A | -2.3308 | |
| 102 | H | A | -2.0873 | |
| 103 | E | A | -2.5189 | |
| 104 | Y | A | 0.0000 | |
| 105 | P | A | -1.8694 | |
| 106 | Q | A | -2.8285 | |
| 107 | E | A | -2.9961 | |
| 108 | I | A | -1.6765 | |
| 109 | R | A | -2.3172 | |
| 110 | D | A | -2.6351 | |
| 111 | A | A | -1.4160 | |
| 112 | Y | A | 0.0000 | |
| 113 | T | A | -1.0858 | |
| 114 | A | A | -0.3043 | |
| 115 | L | A | -0.2858 | |
| 116 | R | A | -0.5086 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.9958 | |
| 119 | F | A | -1.3294 | |
| 120 | D | A | -2.5377 | |
| 121 | E | A | -1.6567 | |
| 122 | T | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | R | A | -1.6849 | |
| 127 | L | A | -0.3625 | |
| 128 | S | A | -0.8750 | |
| 129 | M | A | -1.3659 | |
| 130 | G | A | 0.0000 | |
| 131 | L | A | -0.4366 | |
| 132 | N | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | Q | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | H | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | K | A | -0.9342 | |
| 142 | S | A | -0.1928 | |
| 143 | V | A | 0.2983 | |
| 144 | F | A | -0.6331 | |
| 145 | P | A | -1.5858 | |
| 146 | E | A | -2.7774 | |
| 147 | E | A | -2.6552 | |
| 148 | F | A | 0.0000 | |
| 149 | A | A | -1.9356 | |
| 150 | K | A | -2.8176 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | -1.2616 | |
| 153 | T | A | -0.5514 | |
| 154 | I | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | A | A | -0.0449 | |
| 164 | R | A | -0.3299 | |
| 165 | L | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | G | A | -0.1950 | |
| 168 | V | A | 0.4397 | |
| 169 | A | A | 0.0476 | |
| 170 | A | A | 0.0000 | |
| 171 | N | A | 0.0000 | |
| 172 | E | A | 0.0000 | |
| 173 | L | A | -0.2153 | |
| 174 | T | A | 0.0000 | |
| 175 | S | A | -0.0280 | |
| 176 | L | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | C | A | 0.0000 | |
| 179 | H | A | -0.2439 | |
| 180 | T | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | W | A | 0.0000 | |
| 184 | N | A | -1.5062 | |
| 185 | P | A | -1.8143 | |
| 186 | R | A | -2.6234 | |
| 187 | A | A | -1.5325 | |
| 188 | G | A | -1.7454 | |
| 189 | D | A | -1.5731 | |
| 190 | Y | A | -0.8760 | |
| 191 | S | A | 0.0000 | |
| 192 | S | A | -1.2522 | |
| 193 | L | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | D | A | -2.6041 | |
| 196 | R | A | -2.2007 | |
| 197 | L | A | 0.0000 | |
| 198 | G | A | -1.6179 | |
| 199 | I | A | 0.0000 | |
| 200 | R | A | -1.2274 | |
| 201 | A | A | -0.3940 | |
| 202 | L | A | 0.0806 | |
| 203 | M | A | 0.0757 | |
| 204 | A | A | 0.0000 | |
| 205 | P | A | -0.2725 | |
| 206 | V | A | -0.4797 | |
| 207 | R | A | -1.3459 | |
| 208 | S | A | -0.5850 | |
| 209 | A | A | 0.0000 | |
| 210 | F | A | -0.0525 | |
| 211 | D | A | -0.8803 | |
| 212 | A | A | -0.4353 | |
| 213 | L | A | -0.1908 | |
| 214 | G | A | -0.1948 | |
| 215 | P | A | -0.3381 | |
| 216 | V | A | 0.0000 | |
| 217 | L | A | -0.4958 | |
| 218 | P | A | -1.1991 | |
| 219 | E | A | -2.2015 | |
| 220 | V | A | 0.0000 | |
| 221 | A | A | -1.0885 | |
| 222 | A | A | -1.3521 | |
| 223 | E | A | -2.3639 | |
| 224 | L | A | 0.0000 | |
| 225 | A | A | -1.0953 | |
| 226 | L | A | -0.4563 | |
| 227 | A | A | 0.0153 | |
| 228 | A | A | -0.1412 | |
| 229 | P | A | -0.4290 | |
| 230 | V | A | 0.0000 | |
| 231 | Q | A | -0.6352 | |
| 232 | V | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | C | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | H | A | 0.0000 | |
| 238 | D | A | -0.3867 | |
| 239 | S | A | -0.2023 | |
| 240 | N | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | S | A | -0.2763 | |
| 243 | L | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | P | A | -0.1740 | |
| 246 | H | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | -0.2295 | |
| 249 | H | A | -1.1457 | |
| 250 | R | A | -1.4209 | |
| 251 | E | A | -2.1205 | |
| 252 | A | A | -1.4706 | |
| 253 | P | A | -1.4103 | |
| 254 | F | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | S | A | -0.0176 | |
| 259 | T | A | 0.0000 | |
| 260 | G | A | -0.3063 | |
| 261 | T | A | -0.5739 | |
| 262 | W | A | -0.0105 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.1785 | |
| 265 | N | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | G | A | -1.7329 | |
| 270 | G | A | -2.1622 | |
| 271 | D | A | -2.7379 | |
| 272 | L | A | 0.0000 | |
| 273 | D | A | -3.1251 | |
| 274 | H | A | -2.4296 | |
| 275 | L | A | -2.0768 | |
| 276 | D | A | -2.0130 | |
| 277 | Q | A | -2.3978 | |
| 278 | K | A | -2.8699 | |
| 279 | R | A | -2.0574 | |
| 280 | D | A | -1.4371 | |
| 281 | A | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | D | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | Y | A | 0.5787 | |
| 289 | G | A | -0.3395 | |
| 290 | R | A | -1.2800 | |
| 291 | A | A | -1.2744 | |
| 292 | V | A | 0.0000 | |
| 293 | P | A | 0.0000 | |
| 294 | S | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | R | A | -0.3448 | |
| 297 | F | A | 0.0000 | |
| 298 | M | A | -0.1920 | |
| 299 | G | A | 0.0000 | |
| 300 | G | A | -0.8417 | |
| 301 | R | A | -1.3237 | |
| 302 | E | A | 0.0000 | |
| 303 | F | A | -0.8316 | |
| 304 | E | A | -1.9110 | |
| 305 | I | A | -0.5657 | |
| 306 | L | A | 0.0000 | |
| 307 | S | A | -1.3274 | |
| 308 | A | A | -1.0703 | |
| 309 | E | A | -2.1426 | |
| 310 | I | A | 0.0000 | |
| 311 | G | A | -1.1634 | |
| 312 | P | A | -1.3462 | |
| 313 | V | A | -2.0200 | |
| 314 | D | A | -3.2796 | |
| 315 | E | A | -3.6360 | |
| 316 | Q | A | -2.8863 | |
| 317 | A | A | -2.1009 | |
| 318 | A | A | 0.0000 | |
| 319 | Q | A | -1.8433 | |
| 320 | A | A | -0.7700 | |
| 321 | A | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | G | A | -1.0187 | |
| 324 | P | A | -1.3298 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | E | A | -2.8549 | |
| 328 | K | A | -2.6486 | |
| 329 | S | A | -1.6842 | |
| 330 | M | A | 0.0000 | |
| 331 | M | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | N | A | 0.0000 | |
| 336 | I | A | -0.0997 | |
| 337 | A | A | 0.0000 | |
| 338 | P | A | -0.8769 | |
| 339 | G | A | -1.3977 | |
| 340 | S | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | F | A | -1.1338 | |
| 344 | P | A | -1.7703 | |
| 345 | D | A | -2.5853 | |
| 346 | K | A | -1.8687 | |
| 347 | A | A | -1.0940 | |
| 348 | S | A | -0.6886 | |
| 349 | Q | A | -0.9241 | |
| 350 | W | A | -0.3097 | |
| 351 | I | A | 0.0055 | |
| 352 | G | A | -1.0543 | |
| 353 | A | A | 0.0000 | |
| 354 | E | A | -2.3518 | |
| 355 | Q | A | -2.4350 | |
| 356 | A | A | -1.9368 | |
| 357 | S | A | -1.8144 | |
| 358 | R | A | -2.9094 | |
| 359 | E | A | -2.4595 | |
| 360 | E | A | -1.4295 | |
| 361 | R | A | -1.6312 | |
| 362 | H | A | -1.6751 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | C | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | Y | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | M | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | D | A | -0.3080 | |
| 375 | A | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | G | A | -0.9977 | |
| 379 | L | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | G | A | -1.9324 | |
| 382 | A | A | -1.5846 | |
| 383 | K | A | -2.1667 | |
| 384 | G | A | -1.6594 | |
| 385 | P | A | -1.4058 | |
| 386 | I | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | E | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | 0.0101 | |
| 392 | F | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | L | A | 0.8077 | |
| 395 | N | A | -0.6991 | |
| 396 | E | A | -2.0284 | |
| 397 | A | A | 0.0000 | |
| 398 | Y | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.5735 | |
| 401 | L | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | A | A | -1.3149 | |
| 405 | L | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | G | A | -1.4630 | |
| 408 | R | A | -1.9330 | |
| 409 | E | A | -2.4435 | |
| 410 | V | A | 0.0000 | |
| 411 | L | A | -1.0344 | |
| 412 | A | A | 0.0000 | |
| 413 | L | A | -0.4185 | |
| 414 | P | A | -0.1543 | |
| 415 | G | A | -0.4363 | |
| 416 | T | A | -0.4637 | |
| 417 | T | A | -0.4174 | |
| 418 | G | A | -0.5806 | |
| 419 | T | A | -0.3788 | |
| 420 | S | A | 0.0000 | |
| 421 | Q | A | -0.6207 | |
| 422 | G | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | G | A | -0.3219 | |
| 429 | I | A | -0.9373 | |
| 430 | R | A | -1.4544 | |
| 431 | P | A | -0.3478 | |
| 432 | V | A | 0.8264 | |
| 433 | S | A | -0.0884 | |
| 434 | G | A | -0.4156 | |
| 435 | A | A | -0.6887 | |
| 436 | E | A | -1.3907 | |
| 437 | T | A | -1.1146 | |
| 438 | D | A | -2.1869 | |
| 439 | V | A | -1.8006 | |
| 440 | P | A | -1.8439 | |
| 441 | P | A | -1.9526 | |
| 442 | Q | A | -2.1055 | |
| 443 | D | A | -2.2854 | |
| 444 | F | A | -1.0599 | |
| 445 | P | A | -1.1350 | |
| 446 | G | A | -1.1543 | |
| 447 | L | A | 0.0000 | |
| 448 | A | A | -0.9977 | |
| 449 | A | A | -1.3516 | |
| 450 | Y | A | 0.0000 | |
| 451 | R | A | -1.5920 | |
| 452 | D | A | -2.2908 | |
| 453 | R | A | -1.7784 | |
| 454 | W | A | 0.0000 | |
| 455 | Y | A | -0.4907 | |
| 456 | A | A | -0.5693 | |
| 457 | A | A | -0.3460 | |
| 458 | M | A | 0.0000 | |
| 459 | A | A | 0.0235 |
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