| Chain sequence(s) |
A: MSAGPAPPPGDATSRSFPLNAWYAAAWDHEVGRALLPRTICDRPLVLYRTTDGRPVALADACWHRLVPLSMGRLVGDDEIQCGYHGLRYNADGRCTFMPAQETINPSACVRSYPVVERHRFVWVWPGDPALADPALVPDMHWNDDPEWAGDGKTIHAECDYRLVVDNLMDLTHETFVHGSSIGQDELSEAEFEVTHGDRTVTVTRWMHGIEPPPFWARQLRDKFPGYEGPVDRWQIIRFEAPSTICIDVGVAKAGTGAPEGDRSQGVNGYVLNTITPETDRTCHYFWAFARNYRLGDQRITTRLREGVSGVFGEDEVMLNAQQRAIDANPDYEFYNLNIDAGGMWARRLIERMIDAEQGSGAAAATRAAA
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 (00:04:57)
[INFO] Main: Simulation completed successfully. (00:05:01)
|
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 | 0.8403 | |
| 2 | S | A | 0.0974 | |
| 3 | A | A | -0.1039 | |
| 4 | G | A | -0.5692 | |
| 5 | P | A | -0.5819 | |
| 6 | A | A | -0.4227 | |
| 7 | P | A | -0.6468 | |
| 8 | P | A | -0.9312 | |
| 9 | P | A | -1.1512 | |
| 10 | G | A | -1.6660 | |
| 11 | D | A | -2.2082 | |
| 12 | A | A | -1.2764 | |
| 13 | T | A | -0.9551 | |
| 14 | S | A | -1.3969 | |
| 15 | R | A | -1.5043 | |
| 16 | S | A | 0.0000 | |
| 17 | F | A | 0.0000 | |
| 18 | P | A | 0.0000 | |
| 19 | L | A | -0.2322 | |
| 20 | N | A | -0.3574 | |
| 21 | A | A | 0.0000 | |
| 22 | W | A | 0.0000 | |
| 23 | Y | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | W | A | 0.0000 | |
| 28 | D | A | -1.5749 | |
| 29 | H | A | -1.5680 | |
| 30 | E | A | -1.2359 | |
| 31 | V | A | 0.0000 | |
| 32 | G | A | -1.3244 | |
| 33 | R | A | -1.6411 | |
| 34 | A | A | -0.7472 | |
| 35 | L | A | -0.2872 | |
| 36 | L | A | 0.0126 | |
| 37 | P | A | -0.0907 | |
| 38 | R | A | -0.6940 | |
| 39 | T | A | -1.1435 | |
| 40 | I | A | 0.0000 | |
| 41 | C | A | 0.0000 | |
| 42 | D | A | -2.7478 | |
| 43 | R | A | -1.9814 | |
| 44 | P | A | -1.2051 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | Y | A | 0.0000 | |
| 49 | R | A | -1.9295 | |
| 50 | T | A | -2.5291 | |
| 51 | T | A | -2.4941 | |
| 52 | D | A | -2.8911 | |
| 53 | G | A | -2.4873 | |
| 54 | R | A | -2.7186 | |
| 55 | P | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | A | A | -0.3281 | |
| 60 | D | A | 0.0000 | |
| 61 | A | A | 0.3699 | |
| 62 | C | A | 0.0000 | |
| 63 | W | A | 0.1641 | |
| 64 | H | A | -0.5997 | |
| 65 | R | A | -1.0815 | |
| 66 | L | A | 0.8714 | |
| 67 | V | A | 0.5679 | |
| 68 | P | A | 0.5514 | |
| 69 | L | A | 0.0000 | |
| 70 | S | A | 0.0334 | |
| 71 | M | A | 0.6738 | |
| 72 | G | A | -0.5687 | |
| 73 | R | A | -1.8317 | |
| 74 | L | A | -1.4934 | |
| 75 | V | A | -1.1243 | |
| 76 | G | A | -1.4491 | |
| 77 | D | A | -2.8026 | |
| 78 | D | A | -2.5415 | |
| 79 | E | A | -1.8605 | |
| 80 | I | A | 0.0000 | |
| 81 | Q | A | -0.8507 | |
| 82 | C | A | 0.0000 | |
| 83 | G | A | -0.3351 | |
| 84 | Y | A | 0.5903 | |
| 85 | H | A | -0.8948 | |
| 86 | G | A | -0.5761 | |
| 87 | L | A | 0.0000 | |
| 88 | R | A | -0.9334 | |
| 89 | Y | A | 0.0000 | |
| 90 | N | A | -1.8890 | |
| 91 | A | A | -2.1024 | |
| 92 | D | A | -2.6362 | |
| 93 | G | A | 0.0000 | |
| 94 | R | A | -2.4431 | |
| 95 | C | A | 0.0000 | |
| 96 | T | A | -0.3151 | |
| 97 | F | A | -0.0408 | |
| 98 | M | A | 0.0000 | |
| 99 | P | A | -0.6859 | |
| 100 | A | A | -0.7385 | |
| 101 | Q | A | -1.7486 | |
| 102 | E | A | -2.1765 | |
| 103 | T | A | -1.1722 | |
| 104 | I | A | -0.8150 | |
| 105 | N | A | -0.8899 | |
| 106 | P | A | -0.6727 | |
| 107 | S | A | -0.5348 | |
| 108 | A | A | 0.0000 | |
| 109 | C | A | -0.9645 | |
| 110 | V | A | 0.0000 | |
| 111 | R | A | -1.3481 | |
| 112 | S | A | -1.2889 | |
| 113 | Y | A | 0.0000 | |
| 114 | P | A | -0.4935 | |
| 115 | V | A | -0.2743 | |
| 116 | V | A | -0.7292 | |
| 117 | E | A | -1.5827 | |
| 118 | R | A | -1.7611 | |
| 119 | H | A | -1.8155 | |
| 120 | R | A | -1.7318 | |
| 121 | F | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | W | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | W | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | G | A | -0.6800 | |
| 128 | D | A | -1.4796 | |
| 129 | P | A | -0.8199 | |
| 130 | A | A | -0.1533 | |
| 131 | L | A | 0.5014 | |
| 132 | A | A | -0.2810 | |
| 133 | D | A | -0.7294 | |
| 134 | P | A | -0.4718 | |
| 135 | A | A | -0.2174 | |
| 136 | L | A | 0.2672 | |
| 137 | V | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | D | A | -0.8298 | |
| 140 | M | A | 0.0000 | |
| 141 | H | A | -1.4804 | |
| 142 | W | A | -1.3736 | |
| 143 | N | A | -1.5604 | |
| 144 | D | A | -2.7538 | |
| 145 | D | A | -2.2275 | |
| 146 | P | A | -1.7416 | |
| 147 | E | A | -2.2842 | |
| 148 | W | A | -1.5925 | |
| 149 | A | A | -1.2434 | |
| 150 | G | A | -0.8400 | |
| 151 | D | A | -1.2369 | |
| 152 | G | A | -0.8581 | |
| 153 | K | A | -0.8876 | |
| 154 | T | A | -0.4680 | |
| 155 | I | A | -0.6472 | |
| 156 | H | A | -1.2639 | |
| 157 | A | A | 0.0000 | |
| 158 | E | A | -1.7857 | |
| 159 | C | A | 0.0000 | |
| 160 | D | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | R | A | -0.9109 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | D | A | -0.7908 | |
| 167 | N | A | -0.5508 | |
| 168 | L | A | 0.0000 | |
| 169 | M | A | 0.0000 | |
| 170 | D | A | -0.5731 | |
| 171 | L | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | H | A | 0.5153 | |
| 174 | E | A | 0.0000 | |
| 175 | T | A | 0.1379 | |
| 176 | F | A | 1.6474 | |
| 177 | V | A | 1.0019 | |
| 178 | H | A | 0.0000 | |
| 179 | G | A | -0.1142 | |
| 180 | S | A | -0.1150 | |
| 181 | S | A | -0.1702 | |
| 182 | I | A | 0.0885 | |
| 183 | G | A | -0.2531 | |
| 184 | Q | A | -1.5408 | |
| 185 | D | A | -2.4769 | |
| 186 | E | A | -2.8024 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | -1.7239 | |
| 189 | E | A | -2.9355 | |
| 190 | A | A | -2.1782 | |
| 191 | E | A | -2.4106 | |
| 192 | F | A | -1.2992 | |
| 193 | E | A | -1.6773 | |
| 194 | V | A | -0.3810 | |
| 195 | T | A | -0.6980 | |
| 196 | H | A | -1.2443 | |
| 197 | G | A | -1.5465 | |
| 198 | D | A | -2.4867 | |
| 199 | R | A | -1.8068 | |
| 200 | T | A | -1.0811 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | -0.4816 | |
| 203 | V | A | 0.0000 | |
| 204 | T | A | -0.4681 | |
| 205 | R | A | 0.0000 | |
| 206 | W | A | -0.5346 | |
| 207 | M | A | 0.0000 | |
| 208 | H | A | -1.5641 | |
| 209 | G | A | -1.4789 | |
| 210 | I | A | 0.0000 | |
| 211 | E | A | -2.4766 | |
| 212 | P | A | -1.5103 | |
| 213 | P | A | 0.0000 | |
| 214 | P | A | -0.7531 | |
| 215 | F | A | -0.3716 | |
| 216 | W | A | 0.0000 | |
| 217 | A | A | -1.6838 | |
| 218 | R | A | -2.2262 | |
| 219 | Q | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | R | A | -2.1942 | |
| 222 | D | A | -1.7123 | |
| 223 | K | A | -1.5148 | |
| 224 | F | A | -1.1396 | |
| 225 | P | A | -1.3141 | |
| 226 | G | A | -1.2375 | |
| 227 | Y | A | -1.5591 | |
| 228 | E | A | -2.3793 | |
| 229 | G | A | -1.7032 | |
| 230 | P | A | -1.7197 | |
| 231 | V | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | R | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | Q | A | 0.0000 | |
| 236 | I | A | 0.2428 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | -0.4008 | |
| 239 | F | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | C | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | K | A | -1.1380 | |
| 254 | A | A | -1.1274 | |
| 255 | G | A | -1.0899 | |
| 256 | T | A | -1.2250 | |
| 257 | G | A | -1.8241 | |
| 258 | A | A | 0.0000 | |
| 259 | P | A | -1.6726 | |
| 260 | E | A | -2.6523 | |
| 261 | G | A | -2.2757 | |
| 262 | D | A | -2.6642 | |
| 263 | R | A | -1.8608 | |
| 264 | S | A | -1.2009 | |
| 265 | Q | A | -1.1351 | |
| 266 | G | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | Y | A | 0.2254 | |
| 271 | V | A | 0.2479 | |
| 272 | L | A | 0.0000 | |
| 273 | N | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | T | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | E | A | -1.8288 | |
| 279 | T | A | -2.3087 | |
| 280 | D | A | -2.8213 | |
| 281 | R | A | -2.5172 | |
| 282 | T | A | -1.9602 | |
| 283 | C | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | A | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | R | A | 0.0000 | |
| 292 | N | A | -1.1307 | |
| 293 | Y | A | 0.0000 | |
| 294 | R | A | -1.2737 | |
| 295 | L | A | -0.7933 | |
| 296 | G | A | -1.0735 | |
| 297 | D | A | -1.6810 | |
| 298 | Q | A | -2.5646 | |
| 299 | R | A | -2.9218 | |
| 300 | I | A | 0.0000 | |
| 301 | T | A | -1.9534 | |
| 302 | T | A | -2.1213 | |
| 303 | R | A | -2.3982 | |
| 304 | L | A | 0.0000 | |
| 305 | R | A | -1.8485 | |
| 306 | E | A | -1.9596 | |
| 307 | G | A | -1.2562 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | -1.1906 | |
| 310 | G | A | -1.1748 | |
| 311 | V | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | G | A | -0.5014 | |
| 314 | E | A | -0.5862 | |
| 315 | D | A | 0.0000 | |
| 316 | E | A | -0.4084 | |
| 317 | V | A | 1.0363 | |
| 318 | M | A | 0.6182 | |
| 319 | L | A | 0.0000 | |
| 320 | N | A | -0.5196 | |
| 321 | A | A | -0.2041 | |
| 322 | Q | A | -0.6233 | |
| 323 | Q | A | 0.0000 | |
| 324 | R | A | -1.6403 | |
| 325 | A | A | -0.8587 | |
| 326 | I | A | -0.9150 | |
| 327 | D | A | -1.6541 | |
| 328 | A | A | -1.1717 | |
| 329 | N | A | -1.7920 | |
| 330 | P | A | -1.6396 | |
| 331 | D | A | -1.9042 | |
| 332 | Y | A | -0.2489 | |
| 333 | E | A | -0.7218 | |
| 334 | F | A | 1.5745 | |
| 335 | Y | A | 1.5122 | |
| 336 | N | A | -0.1174 | |
| 337 | L | A | 0.4681 | |
| 338 | N | A | -0.8487 | |
| 339 | I | A | -0.1280 | |
| 340 | D | A | -0.7171 | |
| 341 | A | A | -0.5365 | |
| 342 | G | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | M | A | -0.4015 | |
| 345 | W | A | -0.5956 | |
| 346 | A | A | 0.0000 | |
| 347 | R | A | -1.6636 | |
| 348 | R | A | -2.4533 | |
| 349 | L | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | E | A | -3.5847 | |
| 352 | R | A | -3.9218 | |
| 353 | M | A | -2.1586 | |
| 354 | I | A | -2.2713 | |
| 355 | D | A | -3.2398 | |
| 356 | A | A | -2.0387 | |
| 357 | E | A | -1.7200 | |
| 358 | Q | A | -1.9437 | |
| 359 | G | A | -1.4417 | |
| 360 | S | A | -1.0859 | |
| 361 | G | A | -1.3858 | |
| 362 | A | A | -0.7640 | |
| 363 | A | A | -0.8091 | |
| 364 | A | A | -0.8349 | |
| 365 | A | A | -0.6220 | |
| 366 | T | A | -0.9038 | |
| 367 | R | A | -1.7934 | |
| 368 | A | A | -0.7677 | |
| 369 | A | A | -0.4824 | |
| 370 | A | A | -0.5433 |
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