| Chain sequence(s) |
A: MAGGGGGEGKVACAAWIRRREEKEKATRVFAAYGRAGSPPAVEVLGFDSKECSLSEPLARAELGEEPGDAPRGITVHPSGDELVCATAKGCRLFKLIFEEFTVRLISRDAPPLESVGPQKCLAFSTDGSKFAIGGEDGHLRIFHWPSMNVLLDEPKAHKSFRDMDISLDSEFLVSTSTDGSARIWKIDEGVPLVNLTRSADEKIECCRFSRDGMKPFLFCTVAKGNKVVTVVWNISDWSRIGYKRLLGKPISTLSVSMDGKYLALGSHDGDFCAVDVKKMDVSHWSKKVHLGSPVSSIEFCPTERAVISTSHQWGAELTKLNVPADWKEWQVWLILLSLFLVSAILFYMFYERSDSFWNFPMGQHQPAKPWSVMKESPPVPEDQNPW
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LF334A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0269654 kcal/mol |
| 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 (00:00:01)
[INFO] FoldX: Building mutant model (00:08:35)
[INFO] FoldX: Starting FoldX energy minimalization (00:08:47)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:12:22)
[INFO] Main: Simulation completed successfully. (00:12:25)
|
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 | 0.8950 | |
| 2 | A | A | 0.1583 | |
| 3 | G | A | -0.5668 | |
| 4 | G | A | -0.9657 | |
| 5 | G | A | -1.4145 | |
| 6 | G | A | -1.7506 | |
| 7 | G | A | -2.0471 | |
| 8 | E | A | -2.7872 | |
| 9 | G | A | -2.1893 | |
| 10 | K | A | -2.4616 | |
| 11 | V | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | C | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | R | A | -1.9578 | |
| 19 | R | A | -2.9454 | |
| 20 | R | A | -4.5446 | |
| 21 | E | A | -4.8742 | |
| 22 | E | A | -4.6441 | |
| 23 | K | A | -4.3915 | |
| 24 | E | A | -4.5093 | |
| 25 | K | A | -4.4342 | |
| 26 | A | A | -3.2984 | |
| 27 | T | A | -3.1293 | |
| 28 | R | A | -3.3278 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | -0.5068 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | Y | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | R | A | -1.4956 | |
| 36 | A | A | -1.3121 | |
| 37 | G | A | -1.5208 | |
| 38 | S | A | -1.8330 | |
| 39 | P | A | -1.9056 | |
| 40 | P | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | E | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | G | A | -0.6803 | |
| 47 | F | A | -1.3570 | |
| 48 | D | A | -2.6853 | |
| 49 | S | A | -2.4681 | |
| 50 | K | A | -3.1259 | |
| 51 | E | A | -3.2060 | |
| 52 | C | A | -2.1447 | |
| 53 | S | A | -1.5351 | |
| 54 | L | A | -0.8413 | |
| 55 | S | A | -0.9802 | |
| 56 | E | A | -1.6746 | |
| 57 | P | A | -0.8839 | |
| 58 | L | A | -0.0611 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | -1.2995 | |
| 61 | A | A | -1.3899 | |
| 62 | E | A | -2.4345 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | -2.2201 | |
| 65 | E | A | -3.2279 | |
| 66 | E | A | -2.9457 | |
| 67 | P | A | -1.8070 | |
| 68 | G | A | -1.7058 | |
| 69 | D | A | 0.0000 | |
| 70 | A | A | -1.5520 | |
| 71 | P | A | 0.0000 | |
| 72 | R | A | -1.8865 | |
| 73 | G | A | -1.0361 | |
| 74 | I | A | -0.2622 | |
| 75 | T | A | 0.1882 | |
| 76 | V | A | 0.0088 | |
| 77 | H | A | -0.6023 | |
| 78 | P | A | -0.7802 | |
| 79 | S | A | -1.0393 | |
| 80 | G | A | 0.0000 | |
| 81 | D | A | -0.6034 | |
| 82 | E | A | -0.6717 | |
| 83 | L | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | C | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | A | A | -1.5445 | |
| 89 | K | A | -2.1443 | |
| 90 | G | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | R | A | -1.6619 | |
| 93 | L | A | -1.3791 | |
| 94 | F | A | 0.0000 | |
| 95 | K | A | -1.0224 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | -0.0945 | |
| 98 | F | A | -0.6088 | |
| 99 | E | A | -1.8941 | |
| 100 | E | A | -1.6517 | |
| 101 | F | A | 0.6571 | |
| 102 | T | A | -0.1690 | |
| 103 | V | A | 0.0000 | |
| 104 | R | A | -1.2119 | |
| 105 | L | A | -0.7830 | |
| 106 | I | A | -0.4536 | |
| 107 | S | A | -1.7073 | |
| 108 | R | A | -2.7368 | |
| 109 | D | A | -3.0742 | |
| 110 | A | A | 0.0000 | |
| 111 | P | A | -1.6002 | |
| 112 | P | A | -0.8531 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -2.6636 | |
| 115 | S | A | -1.4643 | |
| 116 | V | A | -1.2014 | |
| 117 | G | A | -1.7233 | |
| 118 | P | A | -1.8800 | |
| 119 | Q | A | 0.0000 | |
| 120 | K | A | -2.5955 | |
| 121 | C | A | 0.0000 | |
| 122 | L | A | -0.1820 | |
| 123 | A | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | T | A | -1.2370 | |
| 127 | D | A | -2.1449 | |
| 128 | G | A | -1.1529 | |
| 129 | S | A | -1.0257 | |
| 130 | K | A | -0.9375 | |
| 131 | F | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | E | A | -3.0960 | |
| 137 | D | A | -2.6404 | |
| 138 | G | A | 0.0000 | |
| 139 | H | A | -1.9949 | |
| 140 | L | A | 0.0000 | |
| 141 | R | A | -0.3682 | |
| 142 | I | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | H | A | -0.5819 | |
| 145 | W | A | 0.0000 | |
| 146 | P | A | -0.7278 | |
| 147 | S | A | -0.6386 | |
| 148 | M | A | -0.4257 | |
| 149 | N | A | -0.5495 | |
| 150 | V | A | 0.9454 | |
| 151 | L | A | -0.0128 | |
| 152 | L | A | -0.5202 | |
| 153 | D | A | -1.2623 | |
| 154 | E | A | -1.5937 | |
| 155 | P | A | -1.9358 | |
| 156 | K | A | -2.5462 | |
| 157 | A | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | K | A | -2.8049 | |
| 160 | S | A | -2.5396 | |
| 161 | F | A | 0.0000 | |
| 162 | R | A | -1.5860 | |
| 163 | D | A | -0.8610 | |
| 164 | M | A | 0.0000 | |
| 165 | D | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | L | A | -1.0524 | |
| 169 | D | A | -2.2785 | |
| 170 | S | A | 0.0000 | |
| 171 | E | A | -2.2152 | |
| 172 | F | A | -1.0445 | |
| 173 | L | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | -1.2682 | |
| 179 | D | A | -1.1880 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | -1.3281 | |
| 182 | A | A | 0.0000 | |
| 183 | R | A | -0.7339 | |
| 184 | I | A | 0.0000 | |
| 185 | W | A | 0.0000 | |
| 186 | K | A | -1.1970 | |
| 187 | I | A | 0.0000 | |
| 188 | D | A | -2.7734 | |
| 189 | E | A | -2.5246 | |
| 190 | G | A | -1.2826 | |
| 191 | V | A | 0.0493 | |
| 192 | P | A | 0.0015 | |
| 193 | L | A | 0.4697 | |
| 194 | V | A | -0.0309 | |
| 195 | N | A | -1.3923 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -1.7154 | |
| 198 | R | A | -2.4774 | |
| 199 | S | A | -1.8375 | |
| 200 | A | A | -1.5944 | |
| 201 | D | A | -2.6604 | |
| 202 | E | A | 0.0000 | |
| 203 | K | A | -2.0363 | |
| 204 | I | A | 0.0000 | |
| 205 | E | A | -0.9485 | |
| 206 | C | A | 0.0000 | |
| 207 | C | A | 0.0000 | |
| 208 | R | A | -0.3099 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | R | A | -1.0017 | |
| 212 | D | A | -1.0230 | |
| 213 | G | A | -0.8102 | |
| 214 | M | A | 0.2768 | |
| 215 | K | A | -0.4901 | |
| 216 | P | A | -0.4197 | |
| 217 | F | A | 0.1275 | |
| 218 | L | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | -1.8027 | |
| 224 | K | A | -2.5649 | |
| 225 | G | A | -2.2780 | |
| 226 | N | A | -2.2371 | |
| 227 | K | A | -2.2315 | |
| 228 | V | A | -1.7387 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | W | A | 0.0000 | |
| 234 | N | A | -0.5738 | |
| 235 | I | A | -0.6189 | |
| 236 | S | A | -0.9877 | |
| 237 | D | A | -1.9808 | |
| 238 | W | A | -0.8569 | |
| 239 | S | A | -0.8768 | |
| 240 | R | A | -0.5261 | |
| 241 | I | A | 1.2260 | |
| 242 | G | A | 0.6098 | |
| 243 | Y | A | 0.5151 | |
| 244 | K | A | -1.4303 | |
| 245 | R | A | -2.2842 | |
| 246 | L | A | -1.1661 | |
| 247 | L | A | 0.0000 | |
| 248 | G | A | -1.2963 | |
| 249 | K | A | -1.4737 | |
| 250 | P | A | -1.2733 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | -0.8421 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | M | A | -0.4127 | |
| 259 | D | A | -1.5467 | |
| 260 | G | A | 0.0000 | |
| 261 | K | A | -1.7304 | |
| 262 | Y | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | S | A | 0.0000 | |
| 268 | H | A | -1.5539 | |
| 269 | D | A | -1.7833 | |
| 270 | G | A | 0.0000 | |
| 271 | D | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | V | A | -1.7097 | |
| 278 | K | A | -2.8450 | |
| 279 | K | A | -3.0374 | |
| 280 | M | A | -2.2176 | |
| 281 | D | A | -2.6882 | |
| 282 | V | A | -0.7401 | |
| 283 | S | A | -0.7560 | |
| 284 | H | A | -0.5633 | |
| 285 | W | A | -0.3471 | |
| 286 | S | A | -1.2735 | |
| 287 | K | A | -2.2413 | |
| 288 | K | A | -2.0592 | |
| 289 | V | A | -0.8804 | |
| 290 | H | A | 0.0000 | |
| 291 | L | A | -0.0053 | |
| 292 | G | A | -0.6276 | |
| 293 | S | A | 0.0000 | |
| 294 | P | A | -0.9808 | |
| 295 | V | A | 0.0000 | |
| 296 | S | A | -0.8591 | |
| 297 | S | A | -0.3296 | |
| 298 | I | A | 0.0000 | |
| 299 | E | A | -0.2806 | |
| 300 | F | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | P | A | -0.6095 | |
| 303 | T | A | -0.7654 | |
| 304 | E | A | -1.2033 | |
| 305 | R | A | -1.2101 | |
| 306 | A | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | H | A | -1.7960 | |
| 313 | Q | A | -1.2220 | |
| 314 | W | A | 0.0301 | |
| 315 | G | A | 0.0000 | |
| 316 | A | A | -0.8201 | |
| 317 | E | A | -0.8271 | |
| 318 | L | A | -0.6318 | |
| 319 | T | A | -1.0680 | |
| 320 | K | A | -2.0762 | |
| 321 | L | A | 0.0000 | |
| 322 | N | A | -1.7151 | |
| 323 | V | A | 0.0000 | |
| 324 | P | A | -0.6008 | |
| 325 | A | A | -0.5918 | |
| 326 | D | A | -0.9509 | |
| 327 | W | A | -0.2366 | |
| 328 | K | A | -1.7853 | |
| 329 | E | A | -1.4243 | |
| 330 | W | A | 0.8041 | |
| 331 | Q | A | 0.4223 | |
| 332 | V | A | 1.3480 | |
| 333 | W | A | 2.6478 | |
| 334 | F | A | 3.2483 | mutated: LF334A |
| 335 | I | A | 3.2710 | |
| 336 | L | A | 4.1028 | |
| 337 | L | A | 3.8379 | |
| 338 | S | A | 3.5524 | |
| 339 | L | A | 4.6305 | |
| 340 | F | A | 4.7700 | |
| 341 | L | A | 4.3691 | |
| 342 | V | A | 4.7479 | |
| 343 | S | A | 3.7729 | |
| 344 | A | A | 3.9618 | |
| 345 | I | A | 5.0028 | |
| 346 | L | A | 4.1181 | |
| 347 | F | A | 4.2722 | |
| 348 | Y | A | 3.6608 | |
| 349 | M | A | 2.4147 | |
| 350 | F | A | 2.8428 | |
| 351 | Y | A | 1.8595 | |
| 352 | E | A | -1.0853 | |
| 353 | R | A | -1.2758 | |
| 354 | S | A | 0.0000 | |
| 355 | D | A | -1.5569 | |
| 356 | S | A | -0.5830 | |
| 357 | F | A | 1.6061 | |
| 358 | W | A | 1.2501 | |
| 359 | N | A | 0.4751 | |
| 360 | F | A | 2.0288 | |
| 361 | P | A | 0.7608 | |
| 362 | M | A | 0.4626 | |
| 363 | G | A | -0.6447 | |
| 364 | Q | A | -1.8476 | |
| 365 | H | A | -2.0779 | |
| 366 | Q | A | -2.1386 | |
| 367 | P | A | -1.6575 | |
| 368 | A | A | -1.2000 | |
| 369 | K | A | -1.7127 | |
| 370 | P | A | -0.2840 | |
| 371 | W | A | 1.1855 | |
| 372 | S | A | 0.8484 | |
| 373 | V | A | 1.7126 | |
| 374 | M | A | 0.6719 | |
| 375 | K | A | -1.7091 | |
| 376 | E | A | -2.2829 | |
| 377 | S | A | -1.3610 | |
| 378 | P | A | -0.7770 | |
| 379 | P | A | -0.0876 | |
| 380 | V | A | 0.7804 | |
| 381 | P | A | -0.9493 | |
| 382 | E | A | -2.8669 | |
| 383 | D | A | -3.4988 | |
| 384 | Q | A | -3.1331 | |
| 385 | N | A | -2.4124 | |
| 386 | P | A | -0.8091 | |
| 387 | W | A | 0.6172 |
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