| Chain sequence(s) |
A: SCSSLPSSLTLTSNEKLVDLFTHFNGTKVTTKAEFACRQAELSELIQRYELGTLPGRPSTLTASFSGNTLTINCGENGKSISFTVTITYPSSGTAPYPAIIGFGGGSLPQPDGVALINFNNDEIAAQTSASSRGQGKFYDLYGSSHSAGAMTAWAWGVSRVIDALELTPAAKIDTTKIGVTGCSRNGKGALVAGAFEKRIVLTIPQESGMGGSACWRISDYLKSQGYNIQTASEIVGEYPWFSTTFNSYVNNVSNLPFDHHHLAALIAPRGLLVIDNVIDWLGPQSCFGCMTAARRAWQALGVPDNMGYSQIGSHAHCAFPSSQQPILTAFVNKFLLGQSVNTAIFTSDFSANTSQWIDWTTPTLS
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 (00:04:53)
[INFO] Main: Simulation completed successfully. (00:04:57)
|
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 | S | A | -0.1086 | |
| 2 | C | A | 0.1515 | |
| 3 | S | A | -0.3482 | |
| 4 | S | A | -0.3547 | |
| 5 | L | A | -0.3841 | |
| 6 | P | A | -0.4497 | |
| 7 | S | A | -0.3739 | |
| 8 | S | A | -0.2509 | |
| 9 | L | A | 0.0053 | |
| 10 | T | A | 0.0368 | |
| 11 | L | A | 0.0946 | |
| 12 | T | A | -0.2752 | |
| 13 | S | A | -1.2758 | |
| 14 | N | A | -1.6877 | |
| 15 | E | A | -2.5276 | |
| 16 | K | A | -1.9741 | |
| 17 | L | A | 0.0000 | |
| 18 | V | A | -0.5859 | |
| 19 | D | A | -0.6691 | |
| 20 | L | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | T | A | -1.0846 | |
| 23 | H | A | -1.0264 | |
| 24 | F | A | -0.4028 | |
| 25 | N | A | -1.4780 | |
| 26 | G | A | -1.3874 | |
| 27 | T | A | -1.4693 | |
| 28 | K | A | -2.1105 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | -0.9770 | |
| 31 | T | A | -1.0794 | |
| 32 | K | A | -1.3621 | |
| 33 | A | A | -0.7731 | |
| 34 | E | A | -1.1946 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | -0.3724 | |
| 37 | C | A | -0.2640 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.3832 | |
| 40 | A | A | -0.3473 | |
| 41 | E | A | -0.4336 | |
| 42 | L | A | 0.0000 | |
| 43 | S | A | -0.6472 | |
| 44 | E | A | -1.1515 | |
| 45 | L | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | Q | A | -0.6893 | |
| 48 | R | A | -0.7527 | |
| 49 | Y | A | -0.4231 | |
| 50 | E | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | T | A | -0.3231 | |
| 54 | L | A | -0.2098 | |
| 55 | P | A | -0.5262 | |
| 56 | G | A | -1.3361 | |
| 57 | R | A | -2.1136 | |
| 58 | P | A | 0.0000 | |
| 59 | S | A | -1.0548 | |
| 60 | T | A | -0.9187 | |
| 61 | L | A | -0.2380 | |
| 62 | T | A | 0.1098 | |
| 63 | A | A | 0.0089 | |
| 64 | S | A | 0.0499 | |
| 65 | F | A | -0.0079 | |
| 66 | S | A | -0.5671 | |
| 67 | G | A | -0.9211 | |
| 68 | N | A | -1.0684 | |
| 69 | T | A | -0.6999 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.1958 | |
| 72 | I | A | 0.0000 | |
| 73 | N | A | -0.5348 | |
| 74 | C | A | 0.0000 | |
| 75 | G | A | -1.4964 | |
| 76 | E | A | -1.8968 | |
| 77 | N | A | -2.1979 | |
| 78 | G | A | -2.0574 | |
| 79 | K | A | -2.8180 | |
| 80 | S | A | -1.8554 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -0.4405 | |
| 83 | F | A | 0.0000 | |
| 84 | T | A | -0.6152 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | -0.7229 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.2462 | |
| 89 | Y | A | -0.2888 | |
| 90 | P | A | -0.6351 | |
| 91 | S | A | -0.6647 | |
| 92 | S | A | -0.8877 | |
| 93 | G | A | -0.8251 | |
| 94 | T | A | -0.5004 | |
| 95 | A | A | -0.5868 | |
| 96 | P | A | -0.9335 | |
| 97 | Y | A | -0.4290 | |
| 98 | P | A | -0.3468 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | -1.4061 | |
| 105 | G | A | -0.9748 | |
| 106 | G | A | -0.5595 | |
| 107 | S | A | -0.2034 | |
| 108 | L | A | -0.0479 | |
| 109 | P | A | -0.5515 | |
| 110 | Q | A | -0.9722 | |
| 111 | P | A | -1.2537 | |
| 112 | D | A | -2.0486 | |
| 113 | G | A | -1.1126 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | -0.0909 | |
| 117 | I | A | 0.0000 | |
| 118 | N | A | -1.2530 | |
| 119 | F | A | 0.0000 | |
| 120 | N | A | -2.3190 | |
| 121 | N | A | 0.0000 | |
| 122 | D | A | -2.7243 | |
| 123 | E | A | -3.0241 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | -1.6038 | |
| 127 | Q | A | 0.0000 | |
| 128 | T | A | -0.4564 | |
| 129 | S | A | -0.4801 | |
| 130 | A | A | -0.5383 | |
| 131 | S | A | -0.7500 | |
| 132 | S | A | 0.0000 | |
| 133 | R | A | -1.2931 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -2.4459 | |
| 136 | G | A | -2.3772 | |
| 137 | K | A | -2.1221 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | D | A | -2.6021 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | -1.0985 | |
| 143 | G | A | -1.2870 | |
| 144 | S | A | -1.3408 | |
| 145 | S | A | -0.7207 | |
| 146 | H | A | -0.5144 | |
| 147 | S | A | -0.3660 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | M | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | W | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | -0.6957 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -1.1917 | |
| 167 | L | A | 0.6386 | |
| 168 | T | A | 0.0000 | |
| 169 | P | A | -0.7016 | |
| 170 | A | A | -0.4393 | |
| 171 | A | A | 0.0000 | |
| 172 | K | A | -1.2971 | |
| 173 | I | A | 0.0000 | |
| 174 | D | A | -1.1528 | |
| 175 | T | A | -1.1079 | |
| 176 | T | A | -0.7135 | |
| 177 | K | A | -0.5749 | |
| 178 | I | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | S | A | -0.5039 | |
| 185 | R | A | -0.7842 | |
| 186 | N | A | -0.8308 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | K | A | -1.9825 | |
| 199 | R | A | -1.4923 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | -0.3517 | |
| 202 | L | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | E | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | M | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | C | A | 0.0000 | |
| 216 | W | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | D | A | -2.1466 | |
| 221 | Y | A | -1.0116 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | -1.5894 | |
| 224 | S | A | -1.4061 | |
| 225 | Q | A | -1.6232 | |
| 226 | G | A | -0.9313 | |
| 227 | Y | A | -0.5649 | |
| 228 | N | A | -1.4176 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | S | A | -1.6593 | |
| 234 | E | A | -1.4140 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | -0.7576 | |
| 237 | G | A | -1.1472 | |
| 238 | E | A | -1.0476 | |
| 239 | Y | A | -0.4896 | |
| 240 | P | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -0.6097 | |
| 245 | T | A | -0.5714 | |
| 246 | F | A | 0.0000 | |
| 247 | N | A | -1.6704 | |
| 248 | S | A | -1.1618 | |
| 249 | Y | A | -1.1686 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -2.4631 | |
| 252 | N | A | -2.5102 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -1.8843 | |
| 255 | N | A | -1.3001 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | -0.0276 | |
| 258 | F | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | H | A | 0.0000 | |
| 261 | H | A | 0.0000 | |
| 262 | H | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | P | A | -0.4877 | |
| 270 | R | A | -0.5315 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | V | A | -0.0887 | |
| 279 | I | A | -0.4824 | |
| 280 | D | A | -1.4647 | |
| 281 | W | A | -0.4750 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | Q | A | -0.5337 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | F | A | -0.0534 | |
| 289 | G | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | M | A | 0.0000 | |
| 292 | T | A | -0.1645 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -0.7742 | |
| 296 | R | A | -0.9912 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Q | A | -1.4430 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | -0.8159 | |
| 303 | V | A | -0.4649 | |
| 304 | P | A | -0.7969 | |
| 305 | D | A | -0.9117 | |
| 306 | N | A | -0.7467 | |
| 307 | M | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | Q | A | 0.0000 | |
| 312 | I | A | 0.3480 | |
| 313 | G | A | -0.1664 | |
| 314 | S | A | -0.3629 | |
| 315 | H | A | -0.1022 | |
| 316 | A | A | -0.1227 | |
| 317 | H | A | -0.3007 | |
| 318 | C | A | -0.0203 | |
| 319 | A | A | 0.0516 | |
| 320 | F | A | 0.1176 | |
| 321 | P | A | -0.0807 | |
| 322 | S | A | -0.4477 | |
| 323 | S | A | -0.3080 | |
| 324 | Q | A | 0.0000 | |
| 325 | Q | A | -0.6107 | |
| 326 | P | A | -0.4643 | |
| 327 | I | A | -0.1985 | |
| 328 | L | A | 0.0000 | |
| 329 | T | A | -0.5035 | |
| 330 | A | A | -0.4259 | |
| 331 | F | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -0.7677 | |
| 334 | K | A | -0.8190 | |
| 335 | F | A | -0.1837 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | -0.1839 | |
| 338 | G | A | -0.7430 | |
| 339 | Q | A | -1.2872 | |
| 340 | S | A | -0.8762 | |
| 341 | V | A | -0.7350 | |
| 342 | N | A | -1.3179 | |
| 343 | T | A | 0.0000 | |
| 344 | A | A | -0.2494 | |
| 345 | I | A | 0.2514 | |
| 346 | F | A | 0.5088 | |
| 347 | T | A | 0.1289 | |
| 348 | S | A | -0.4069 | |
| 349 | D | A | -1.3735 | |
| 350 | F | A | -0.3794 | |
| 351 | S | A | -0.5460 | |
| 352 | A | A | -0.5295 | |
| 353 | N | A | -0.8300 | |
| 354 | T | A | -0.8185 | |
| 355 | S | A | -0.9917 | |
| 356 | Q | A | -1.2559 | |
| 357 | W | A | 0.0000 | |
| 358 | I | A | -1.0524 | |
| 359 | D | A | -1.8814 | |
| 360 | W | A | -0.8409 | |
| 361 | T | A | -0.4892 | |
| 362 | T | A | -0.4384 | |
| 363 | P | A | -0.5341 | |
| 364 | T | A | -0.5864 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6830 |
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