| Chain sequence(s) |
B: EVKLQESGGGLVQPGGSLKLSCATSGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHGGYYAMDYWGQGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIKPCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEEMTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHTTKSFSR
input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LQ178B,VT177B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.359441 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 B 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] FoldX: Building mutant model (00:06:07)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:16)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:56)
[INFO] Main: Simulation completed successfully. (00:09:00)
|
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 | E | B | -2.1947 | |
| 2 | V | B | -1.2562 | |
| 3 | K | B | -2.1814 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.3245 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -1.0376 | |
| 8 | G | B | -1.0772 | |
| 9 | G | B | -0.8280 | |
| 10 | G | B | -0.3171 | |
| 11 | L | B | 0.0558 | |
| 12 | V | B | -0.2652 | |
| 13 | Q | B | -1.5136 | |
| 14 | P | B | -1.7657 | |
| 15 | G | B | -1.7366 | |
| 16 | G | B | -1.2185 | |
| 17 | S | B | -1.4668 | |
| 18 | L | B | -1.1318 | |
| 19 | K | B | -2.0301 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.7937 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.9121 | |
| 24 | T | B | 0.0000 | |
| 25 | S | B | -1.3877 | |
| 26 | G | B | -1.2072 | |
| 27 | F | B | -0.6406 | |
| 28 | T | B | -0.6056 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -1.4905 | |
| 31 | D | B | -1.8593 | |
| 32 | Y | B | -0.6075 | |
| 33 | Y | B | 0.2098 | |
| 34 | M | B | 0.0000 | |
| 35 | Y | B | 0.9175 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.0880 | |
| 40 | T | B | 0.0000 | |
| 41 | P | B | -1.9222 | |
| 42 | E | B | -3.1657 | |
| 43 | K | B | -3.3336 | |
| 44 | R | B | -2.8226 | |
| 45 | L | B | -0.3114 | |
| 46 | E | B | -0.2180 | |
| 47 | W | B | 1.1757 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | Y | B | 1.0663 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | -0.3813 | |
| 52A | N | B | -1.2056 | |
| 53 | G | B | -1.4465 | |
| 54 | G | B | -0.9865 | |
| 55 | G | B | -0.6868 | |
| 56 | S | B | -0.2556 | |
| 57 | T | B | 0.4435 | |
| 58 | Y | B | 0.9086 | |
| 59 | Y | B | -0.0901 | |
| 60 | P | B | -0.9289 | |
| 61 | D | B | -2.3828 | |
| 62 | T | B | -1.7556 | |
| 63 | V | B | 0.0000 | |
| 64 | K | B | -2.4491 | |
| 65 | G | B | -1.9202 | |
| 66 | R | B | -2.0026 | |
| 67 | F | B | 0.0000 | |
| 68 | T | B | -0.7123 | |
| 69 | I | B | 0.0000 | |
| 70 | S | B | -0.7320 | |
| 71 | R | B | -1.4931 | |
| 72 | D | B | -2.4057 | |
| 73 | N | B | -2.3275 | |
| 74 | A | B | -1.6965 | |
| 75 | K | B | -2.4123 | |
| 76 | N | B | -1.7875 | |
| 77 | T | B | -1.3755 | |
| 78 | L | B | 0.0000 | |
| 79 | Y | B | -0.7033 | |
| 80 | L | B | 0.0000 | |
| 81 | Q | B | -1.4256 | |
| 82 | M | B | 0.0000 | |
| 82A | S | B | -1.8089 | |
| 82B | R | B | -2.4475 | |
| 82C | L | B | 0.0000 | |
| 83 | K | B | -2.7713 | |
| 84 | S | B | -2.0031 | |
| 85 | E | B | -2.3843 | |
| 86 | D | B | 0.0000 | |
| 87 | T | B | -0.8800 | |
| 88 | A | B | 0.0000 | |
| 89 | M | B | -0.1170 | |
| 90 | Y | B | 0.0000 | |
| 91 | Y | B | 0.0945 | |
| 92 | C | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | R | B | 0.0000 | |
| 95 | H | B | 0.5918 | |
| 96 | G | B | 0.0449 | |
| 97 | G | B | 0.3781 | |
| 100 | Y | B | 1.6850 | |
| 100I | Y | B | 1.7839 | |
| 100J | A | B | 0.8273 | |
| 100K | M | B | 0.4881 | |
| 101 | D | B | -0.2539 | |
| 102 | Y | B | 0.2286 | |
| 103 | W | B | 0.0631 | |
| 104 | G | B | -0.7861 | |
| 105 | Q | B | -1.4469 | |
| 106 | G | B | -0.7437 | |
| 107 | T | B | -0.5807 | |
| 108 | T | B | -0.3189 | |
| 109 | V | B | 0.0000 | |
| 110 | T | B | -0.6765 | |
| 111 | V | B | 0.0000 | |
| 112 | S | B | -1.2310 | |
| 113 | S | B | -1.2762 | |
| 114 | A | B | -1.5234 | |
| 115 | K | B | -2.1277 | |
| 116 | T | B | -1.0128 | |
| 117 | T | B | -0.6374 | |
| 118 | A | B | -0.4352 | |
| 119 | P | B | -0.5660 | |
| 120 | S | B | -0.4139 | |
| 121 | V | B | 0.0000 | |
| 122 | Y | B | 0.1855 | |
| 123 | P | B | -0.4664 | |
| 124 | L | B | 0.2232 | |
| 125 | A | B | 0.0000 | |
| 126 | P | B | 0.1246 | |
| 127 | V | B | 1.0742 | |
| 128 | C | B | 0.0749 | |
| 129 | G | B | -0.6740 | |
| 130 | D | B | -1.6355 | |
| 133 | T | B | -0.7146 | |
| 134 | T | B | -0.9620 | |
| 135 | G | B | -0.8649 | |
| 136 | S | B | -0.5695 | |
| 137 | S | B | -0.4035 | |
| 138 | V | B | -0.1891 | |
| 139 | T | B | 0.0810 | |
| 140 | L | B | 0.0000 | |
| 141 | G | B | 0.0000 | |
| 142 | C | B | 0.0000 | |
| 143 | L | B | 0.2092 | |
| 144 | V | B | 0.0000 | |
| 145 | K | B | -1.2617 | |
| 146 | G | B | -1.1893 | |
| 147 | Y | B | 0.0000 | |
| 148 | F | B | 0.0000 | |
| 149 | P | B | -1.1509 | |
| 150 | E | B | -1.2599 | |
| 151 | P | B | -0.8801 | |
| 152 | V | B | -0.4411 | |
| 153 | T | B | -0.3110 | |
| 154 | L | B | -0.2642 | |
| 156 | T | B | -0.2679 | |
| 157 | W | B | 0.0000 | |
| 162 | N | B | -0.9276 | |
| 163 | S | B | -0.6953 | |
| 164 | G | B | -0.5150 | |
| 165 | S | B | -0.4242 | |
| 166 | L | B | -0.1504 | |
| 167 | S | B | -0.4110 | |
| 168 | S | B | -0.4493 | |
| 169 | G | B | -0.5191 | |
| 171 | V | B | -0.1363 | |
| 172 | H | B | -0.5348 | |
| 173 | T | B | 0.1590 | |
| 174 | F | B | 0.7685 | |
| 175 | P | B | 0.0580 | |
| 176 | A | B | -0.5077 | |
| 177 | T | B | -1.2157 | mutated: VT177B |
| 178 | Q | B | -2.2869 | mutated: LQ178B |
| 179 | Q | B | -2.3135 | |
| 180 | S | B | -1.8239 | |
| 183 | D | B | -2.5789 | |
| 184 | L | B | -1.7599 | |
| 185 | Y | B | -1.5295 | |
| 186 | T | B | -0.8186 | |
| 187 | L | B | 0.0000 | |
| 188 | S | B | 0.1720 | |
| 189 | S | B | 0.0000 | |
| 190 | S | B | -0.0137 | |
| 191 | V | B | 0.0000 | |
| 192 | T | B | -0.2179 | |
| 193 | V | B | 0.0000 | |
| 194 | T | B | -0.4092 | |
| 195 | S | B | -0.4469 | |
| 196 | S | B | -0.6382 | |
| 198 | T | B | -0.6744 | |
| 199 | W | B | 0.0000 | |
| 200 | P | B | -1.0954 | |
| 202 | S | B | -0.9780 | |
| 203 | Q | B | -1.4357 | |
| 204 | S | B | -1.3745 | |
| 205 | I | B | 0.0000 | |
| 206 | T | B | -1.7056 | |
| 208 | C | B | 0.0000 | |
| 209 | N | B | 0.0000 | |
| 210 | V | B | 0.0000 | |
| 211 | A | B | -0.9137 | |
| 212 | H | B | 0.0000 | |
| 213 | P | B | -0.7182 | |
| 214 | A | B | -0.3247 | |
| 215 | S | B | -0.4522 | |
| 216 | S | B | -0.6819 | |
| 217 | T | B | -1.0728 | |
| 218 | K | B | -2.0095 | |
| 219 | V | B | -1.6229 | |
| 220 | D | B | -2.6027 | |
| 221 | K | B | -2.4086 | |
| 222 | K | B | -2.6967 | |
| 223 | I | B | 0.0000 | |
| 226 | E | B | -2.8519 | |
| 227 | P | B | -2.0063 | |
| 228 | R | B | -1.8908 | |
| 229 | G | B | -1.2094 | |
| 230 | P | B | -0.4130 | |
| 231 | T | B | 0.1623 | |
| 232 | I | B | 0.9775 | |
| 235 | K | B | -0.7807 | |
| 236 | P | B | -0.3442 | |
| 237 | C | B | 0.1915 | |
| 238 | P | B | -0.3346 | |
| 239 | P | B | -0.2307 | |
| 240 | C | B | 0.0488 | |
| 241 | K | B | -1.1514 | |
| 242 | C | B | -0.1908 | |
| 243 | P | B | -0.3612 | |
| 244 | A | B | -0.4666 | |
| 245 | P | B | -0.4966 | |
| 246 | N | B | -0.3521 | |
| 247 | L | B | 1.4756 | |
| 248 | L | B | 1.5454 | |
| 249 | G | B | 0.1960 | |
| 250 | G | B | -0.3904 | |
| 251 | P | B | -0.8516 | |
| 252 | S | B | -0.2122 | |
| 253 | V | B | 0.0000 | |
| 254 | F | B | 1.3704 | |
| 255 | I | B | 1.1361 | |
| 256 | F | B | 1.3847 | |
| 257 | P | B | 0.1436 | |
| 258 | P | B | -0.6562 | |
| 259 | K | B | -1.8686 | |
| 260 | I | B | 0.0000 | |
| 261 | K | B | -0.9225 | |
| 262 | D | B | -0.4827 | |
| 263 | V | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | M | B | 0.7085 | |
| 266 | I | B | 1.7715 | |
| 267 | S | B | 0.9556 | |
| 268 | L | B | 0.6716 | |
| 269 | S | B | 0.0408 | |
| 270 | P | B | 0.0000 | |
| 271 | I | B | 0.3210 | |
| 272 | V | B | 0.0000 | |
| 273 | T | B | 0.8820 | |
| 274 | C | B | 0.0000 | |
| 275 | V | B | 1.0308 | |
| 276 | V | B | 0.0000 | |
| 277 | V | B | -0.5227 | |
| 278 | D | B | -1.6665 | |
| 279 | V | B | 0.0000 | |
| 280 | S | B | -2.7402 | |
| 281 | E | B | -3.7105 | |
| 282 | D | B | -3.2052 | |
| 283 | D | B | -2.9812 | |
| 284 | P | B | -2.5379 | |
| 285 | D | B | -3.0272 | |
| 286 | V | B | -1.7592 | |
| 287 | Q | B | -1.8099 | |
| 288 | I | B | -0.8181 | |
| 289 | S | B | -1.0599 | |
| 290 | W | B | 0.0000 | |
| 291 | F | B | -1.0029 | |
| 292 | V | B | -1.0046 | |
| 295 | N | B | -1.9270 | |
| 296 | N | B | -1.5129 | |
| 299 | V | B | -0.0965 | |
| 300 | E | B | -1.4288 | |
| 301 | V | B | -0.9198 | |
| 302 | H | B | -1.2824 | |
| 303 | T | B | -1.3238 | |
| 304 | A | B | -1.0636 | |
| 305 | Q | B | -1.6528 | |
| 306 | T | B | -1.2303 | |
| 307 | Q | B | -1.6790 | |
| 308 | T | B | -1.1670 | |
| 309 | H | B | -2.0130 | |
| 310 | R | B | -2.3896 | |
| 311 | E | B | -2.2554 | |
| 312 | D | B | -2.5579 | |
| 313 | Y | B | -0.8566 | |
| 314 | N | B | -1.0899 | |
| 317 | S | B | -1.2392 | |
| 318 | T | B | -1.9126 | |
| 319 | L | B | 0.0000 | |
| 320 | R | B | -1.8101 | |
| 321 | V | B | 0.0000 | |
| 322 | V | B | -0.0254 | |
| 323 | S | B | 0.0000 | |
| 324 | A | B | -0.2003 | |
| 325 | L | B | 0.0000 | |
| 326 | P | B | -0.3769 | |
| 327 | I | B | -0.4944 | |
| 328 | Q | B | -1.0278 | |
| 329 | H | B | -0.7602 | |
| 330 | Q | B | -1.5997 | |
| 331 | D | B | -1.9038 | |
| 332 | W | B | 0.0000 | |
| 333 | M | B | -1.0275 | |
| 334 | S | B | -1.3378 | |
| 335 | G | B | -1.8441 | |
| 336 | K | B | -2.0802 | |
| 337 | E | B | -2.2381 | |
| 338 | F | B | 0.0000 | |
| 339 | K | B | -1.6360 | |
| 340 | C | B | 0.0000 | |
| 341 | K | B | -1.4388 | |
| 342 | V | B | 0.0000 | |
| 343 | N | B | -1.7004 | |
| 344 | N | B | -2.2198 | |
| 345 | K | B | -3.0582 | |
| 346 | D | B | -2.7974 | |
| 347 | L | B | -1.4768 | |
| 348 | P | B | -0.9342 | |
| 349 | A | B | -0.6197 | |
| 350 | P | B | -0.9419 | |
| 351 | I | B | -0.6494 | |
| 352 | E | B | -1.5513 | |
| 353 | R | B | -1.0063 | |
| 354 | T | B | -0.9630 | |
| 355 | I | B | -0.3811 | |
| 357 | S | B | -1.2774 | |
| 358 | K | B | -1.3826 | |
| 359 | P | B | -1.3641 | |
| 360 | K | B | -2.0069 | |
| 361 | G | B | -0.9737 | |
| 363 | S | B | -0.1755 | |
| 364 | V | B | 0.5351 | |
| 365 | R | B | -0.6973 | |
| 366 | A | B | -0.7039 | |
| 367 | P | B | 0.0000 | |
| 368 | Q | B | -0.6859 | |
| 369 | V | B | 0.0000 | |
| 370 | Y | B | 0.6011 | |
| 371 | V | B | 0.6001 | |
| 372 | L | B | 0.6429 | |
| 373 | P | B | -0.2321 | |
| 374 | P | B | 0.0000 | |
| 375 | P | B | -1.6550 | |
| 377 | E | B | -2.8139 | |
| 378 | E | B | -2.9793 | |
| 379 | E | B | -2.5055 | |
| 381 | M | B | -1.8222 | |
| 382 | T | B | -2.0612 | |
| 383 | K | B | -3.4589 | |
| 384 | K | B | -4.1471 | |
| 385 | Q | B | -4.1462 | |
| 386 | V | B | 0.0000 | |
| 387 | T | B | -1.1978 | |
| 388 | L | B | 0.0000 | |
| 389 | T | B | -0.1916 | |
| 390 | C | B | 0.0000 | |
| 391 | M | B | 0.6572 | |
| 392 | V | B | 0.0000 | |
| 393 | T | B | 0.1089 | |
| 394 | D | B | -0.8656 | |
| 395 | F | B | 0.0000 | |
| 396 | M | B | -0.4461 | |
| 397 | P | B | -1.4271 | |
| 398 | E | B | -1.8618 | |
| 399 | D | B | -2.5020 | |
| 400 | I | B | -1.3138 | |
| 401 | Y | B | -0.6609 | |
| 402 | V | B | 0.0000 | |
| 405 | E | B | -0.3919 | |
| 406 | W | B | 0.0000 | |
| 407 | T | B | -0.9044 | |
| 408 | N | B | 0.0000 | |
| 410 | N | B | -2.1875 | |
| 411 | G | B | -1.9830 | |
| 414 | K | B | -2.2065 | |
| 415 | T | B | -1.1336 | |
| 416 | E | B | -0.5190 | |
| 417 | L | B | 0.2365 | |
| 418 | N | B | -1.2713 | |
| 419 | Y | B | -1.4699 | |
| 420 | K | B | -2.5510 | |
| 421 | N | B | -2.0473 | |
| 422 | T | B | -1.4703 | |
| 423 | E | B | -2.0438 | |
| 424 | P | B | -0.6865 | |
| 425 | V | B | 0.9255 | |
| 426 | L | B | 1.1295 | |
| 427 | D | B | -0.2708 | |
| 428 | S | B | -1.0473 | |
| 430 | D | B | -2.0361 | |
| 433 | G | B | -0.9719 | |
| 434 | S | B | 0.0000 | |
| 435 | Y | B | -0.2632 | |
| 436 | F | B | 0.5436 | |
| 437 | M | B | 0.0000 | |
| 438 | Y | B | -0.1219 | |
| 439 | S | B | 0.0000 | |
| 440 | K | B | -1.4707 | |
| 441 | L | B | 0.0000 | |
| 442 | R | B | -2.5570 | |
| 443 | V | B | 0.0000 | |
| 444 | E | B | -4.1561 | |
| 445 | K | B | -3.8911 | |
| 446 | K | B | -3.5376 | |
| 447 | N | B | -2.5915 | |
| 448 | W | B | 0.0000 | |
| 449 | V | B | -1.3780 | |
| 450 | E | B | -2.6876 | |
| 451 | R | B | -2.4392 | |
| 452 | N | B | -2.1257 | |
| 453 | S | B | -1.3513 | |
| 454 | Y | B | 0.0000 | |
| 455 | S | B | 0.0000 | |
| 456 | C | B | 0.0000 | |
| 457 | S | B | 0.0000 | |
| 458 | V | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | H | B | 0.0000 | |
| 461 | E | B | -0.9169 | |
| 462 | G | B | -0.6484 | |
| 463 | L | B | -1.2657 | |
| 464 | H | B | -1.8852 | |
| 465 | N | B | -2.1455 | |
| 466 | H | B | -1.7204 | |
| 467 | H | B | -1.4777 | |
| 468 | T | B | -1.0717 | |
| 469 | T | B | -0.6077 | |
| 470 | K | B | -0.7100 | |
| 471 | S | B | -0.5244 | |
| 472 | F | B | -0.7439 | |
| 473 | S | B | -1.2123 | |
| 474 | R | B | -2.2454 |
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