| Chain sequence(s) |
A: EEDPIFTQLAQKMAAAAPVDLLAQYMQVEAHDWHNRVRGAILGLISAVPKVGAAISRLIGLFWPANKVDIWEALRAEEEYIRNIVQQELFEFEMRLLENDIQALETTVGRYDTAALTEKGNFLSIWISQADALYIRMRNSTNNIHLLLHMVTVSTLHLAALHERLTFGEELYGTNNSTNWTRDLVDKFETYTSDLIPNVFKRWKEWRPTQIEISAWVRRGSCGNLTCRPDVSYATVEDKISGALFSFQATNRNSTTLFLEVCEDHKTRMVNEAIADMASCLSPTFAFHKLLPDDIQTQFSPYDRQQFGQVFRGPYSQDLSHGLWTAFKNFRSRTTRSDQTLRDRILEVIIRAGHHVDAIQFVYDHSNPNLTTPGTVAGNAAGGTRHQVDVRDRPIQELRMEFSQDVLASLQLHFEDGTSTRKFGNELGWATRILTCTAPYGYRFSSWAFREDPGPYRTTAISVLRFQFTPELDMPLPASY
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:25)
[INFO] Main: Simulation completed successfully. (00:13:31)
|
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 | |
| 26 | E | A | -3.1309 | |
| 27 | E | A | -3.3682 | |
| 28 | D | A | -2.8753 | |
| 29 | P | A | -1.5243 | |
| 30 | I | A | -0.2076 | |
| 31 | F | A | -0.0995 | |
| 32 | T | A | -1.0160 | |
| 33 | Q | A | -1.2500 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -0.7678 | |
| 36 | Q | A | -1.6626 | |
| 37 | K | A | -1.6093 | |
| 38 | M | A | -0.8435 | |
| 39 | A | A | -0.6295 | |
| 40 | A | A | -0.4723 | |
| 41 | A | A | -0.1953 | |
| 42 | A | A | -0.1070 | |
| 48 | P | A | -0.4165 | |
| 49 | V | A | -0.8461 | |
| 50 | D | A | -1.5372 | |
| 51 | L | A | -0.4628 | |
| 52 | L | A | 0.1339 | |
| 53 | A | A | -0.4596 | |
| 54 | Q | A | -0.9465 | |
| 55 | Y | A | -0.0338 | |
| 56 | M | A | -0.0319 | |
| 57 | Q | A | -0.8824 | |
| 58 | V | A | -0.6864 | |
| 59 | E | A | -1.5516 | |
| 60 | A | A | -0.9590 | |
| 61 | H | A | 0.0000 | |
| 62 | D | A | -0.6453 | |
| 63 | W | A | 0.0000 | |
| 64 | H | A | 0.0000 | |
| 65 | N | A | 0.0000 | |
| 66 | R | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | R | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | 0.7190 | |
| 73 | G | A | 0.2614 | |
| 74 | L | A | 0.0000 | |
| 75 | I | A | 1.0654 | |
| 76 | S | A | 0.7082 | |
| 77 | A | A | 0.4597 | |
| 78 | V | A | 1.0967 | |
| 79 | P | A | -0.1553 | |
| 80 | K | A | -1.4017 | |
| 81 | V | A | -0.7168 | |
| 82 | G | A | -0.5597 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | S | A | -1.0783 | |
| 87 | R | A | -1.7681 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | -0.5911 | |
| 90 | G | A | -0.7765 | |
| 91 | L | A | -0.4122 | |
| 92 | F | A | 0.0000 | |
| 93 | W | A | -0.5387 | |
| 94 | P | A | -0.9671 | |
| 95 | A | A | -0.9817 | |
| 96 | N | A | -1.9286 | |
| 97 | K | A | -2.0173 | |
| 98 | V | A | -0.5971 | |
| 99 | D | A | -1.1133 | |
| 100 | I | A | 0.0000 | |
| 101 | W | A | 0.0000 | |
| 102 | E | A | -1.5418 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -2.0239 | |
| 106 | A | A | -1.2598 | |
| 107 | E | A | 0.0000 | |
| 108 | E | A | -1.4517 | |
| 109 | Y | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | R | A | -2.4036 | |
| 112 | N | A | -1.4536 | |
| 113 | I | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | Q | A | -1.5374 | |
| 116 | Q | A | -1.9248 | |
| 117 | E | A | -1.7619 | |
| 118 | L | A | -0.3801 | |
| 119 | F | A | 0.0000 | |
| 120 | E | A | -0.9321 | |
| 121 | F | A | 0.6763 | |
| 122 | E | A | 0.0000 | |
| 123 | M | A | -0.6414 | |
| 124 | R | A | -1.2094 | |
| 125 | L | A | 0.1027 | |
| 126 | L | A | 0.0000 | |
| 127 | E | A | -2.3350 | |
| 128 | N | A | -2.6046 | |
| 129 | D | A | -2.2915 | |
| 130 | I | A | 0.0000 | |
| 131 | Q | A | -2.1348 | |
| 132 | A | A | -1.5108 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | -1.3820 | |
| 135 | T | A | -1.2177 | |
| 136 | T | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | -1.3856 | |
| 139 | R | A | -2.4533 | |
| 140 | Y | A | 0.0000 | |
| 141 | D | A | -1.1640 | |
| 142 | T | A | -1.0998 | |
| 143 | A | A | -1.0794 | |
| 144 | A | A | -0.3132 | |
| 145 | L | A | -0.0215 | |
| 146 | T | A | -0.6194 | |
| 147 | E | A | -1.5737 | |
| 148 | K | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | N | A | -1.3952 | |
| 151 | F | A | -0.8411 | |
| 152 | L | A | 0.0000 | |
| 153 | S | A | -0.0883 | |
| 154 | I | A | 0.4130 | |
| 155 | W | A | 0.0000 | |
| 156 | I | A | 0.1730 | |
| 157 | S | A | -0.0885 | |
| 158 | Q | A | -0.3835 | |
| 159 | A | A | 0.0000 | |
| 160 | D | A | -0.5220 | |
| 161 | A | A | -0.6785 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | I | A | -0.7566 | |
| 165 | R | A | -2.1273 | |
| 166 | M | A | 0.0000 | |
| 167 | R | A | -1.7754 | |
| 168 | N | A | -2.1200 | |
| 169 | S | A | -1.3642 | |
| 170 | T | A | -0.7306 | |
| 171 | N | A | -0.2788 | |
| 172 | N | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | H | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | H | A | 0.0000 | |
| 179 | M | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | H | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | H | A | -0.1426 | |
| 192 | E | A | 0.0000 | |
| 193 | R | A | -0.7533 | |
| 194 | L | A | -0.9158 | |
| 195 | T | A | -0.7788 | |
| 196 | F | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | E | A | -2.9999 | |
| 199 | E | A | -2.7428 | |
| 200 | L | A | -1.3587 | |
| 201 | Y | A | -1.2652 | |
| 202 | G | A | -1.7992 | |
| 203 | T | A | -1.6170 | |
| 204 | N | A | -2.2967 | |
| 205 | N | A | -1.6127 | |
| 206 | S | A | -1.5841 | |
| 207 | T | A | -1.3454 | |
| 208 | N | A | -1.8179 | |
| 209 | W | A | 0.0000 | |
| 210 | T | A | -1.6611 | |
| 211 | R | A | -2.9578 | |
| 212 | D | A | -2.6427 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | -1.8663 | |
| 215 | D | A | -2.9087 | |
| 216 | K | A | -2.0146 | |
| 217 | F | A | 0.0000 | |
| 218 | E | A | -1.6953 | |
| 219 | T | A | -1.2271 | |
| 220 | Y | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | S | A | -1.2583 | |
| 223 | D | A | -1.2883 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | N | A | -1.7432 | |
| 228 | V | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | K | A | -2.3543 | |
| 231 | R | A | -2.5849 | |
| 232 | W | A | 0.0000 | |
| 233 | K | A | -2.0040 | |
| 234 | E | A | -2.6219 | |
| 235 | W | A | -1.3591 | |
| 236 | R | A | 0.0000 | |
| 237 | P | A | -1.0629 | |
| 238 | T | A | -1.1229 | |
| 239 | Q | A | -1.3163 | |
| 240 | I | A | 0.0000 | |
| 241 | E | A | -2.4554 | |
| 242 | I | A | -0.9521 | |
| 243 | S | A | -0.2416 | |
| 244 | A | A | 0.6027 | |
| 245 | W | A | 0.5141 | |
| 246 | V | A | -1.1812 | |
| 247 | R | A | -2.8696 | |
| 248 | R | A | -3.7042 | |
| 249 | G | A | -2.5670 | |
| 250 | S | A | -1.2965 | |
| 251 | C | A | 0.1966 | |
| 252 | G | A | -0.4955 | |
| 253 | N | A | -0.5340 | |
| 254 | L | A | 0.8390 | |
| 255 | T | A | 0.2510 | |
| 256 | C | A | 0.0105 | |
| 257 | R | A | -2.0215 | |
| 258 | P | A | -2.4903 | |
| 259 | D | A | -3.4680 | |
| 260 | V | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | Y | A | -0.2147 | |
| 263 | A | A | 0.0000 | |
| 264 | T | A | 0.1849 | |
| 265 | V | A | 0.0000 | |
| 266 | E | A | -1.3431 | |
| 267 | D | A | 0.0000 | |
| 268 | K | A | -2.2329 | |
| 269 | I | A | -1.3946 | |
| 270 | S | A | -1.1932 | |
| 271 | G | A | -1.1399 | |
| 272 | A | A | -0.2060 | |
| 273 | L | A | 0.6574 | |
| 274 | F | A | 0.8536 | |
| 275 | S | A | 0.6847 | |
| 276 | F | A | 0.0000 | |
| 277 | Q | A | 0.1642 | |
| 278 | A | A | 0.0000 | |
| 279 | T | A | -1.8857 | |
| 280 | N | A | -3.1277 | |
| 281 | R | A | -3.4796 | |
| 282 | N | A | -3.0572 | |
| 283 | S | A | -1.2085 | |
| 284 | T | A | -0.0505 | |
| 285 | T | A | -0.1715 | |
| 286 | L | A | -0.2865 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | -0.9133 | |
| 289 | E | A | -2.4765 | |
| 290 | V | A | 0.0000 | |
| 291 | C | A | 0.0000 | |
| 292 | E | A | -2.9122 | |
| 293 | D | A | -2.1966 | |
| 294 | H | A | 0.0000 | |
| 295 | K | A | -1.7218 | |
| 296 | T | A | -1.1623 | |
| 297 | R | A | -1.0081 | |
| 298 | M | A | 0.0000 | |
| 299 | V | A | -0.1899 | |
| 300 | N | A | -0.1781 | |
| 301 | E | A | -0.2873 | |
| 302 | A | A | 0.0000 | |
| 303 | I | A | 0.0518 | |
| 304 | A | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | M | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | P | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | H | A | -0.6715 | |
| 318 | K | A | -0.7411 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | P | A | -1.4578 | |
| 322 | D | A | -2.9123 | |
| 323 | D | A | -2.7520 | |
| 324 | I | A | -1.5348 | |
| 325 | Q | A | -1.7032 | |
| 326 | T | A | -1.2819 | |
| 327 | Q | A | -1.5435 | |
| 328 | F | A | -0.5683 | |
| 329 | S | A | -0.9184 | |
| 330 | P | A | -0.7828 | |
| 331 | Y | A | 0.0000 | |
| 332 | D | A | -1.8998 | |
| 333 | R | A | -2.8245 | |
| 334 | Q | A | -2.3430 | |
| 335 | Q | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | Q | A | -1.2453 | |
| 339 | V | A | 0.0000 | |
| 340 | F | A | -0.0081 | |
| 341 | R | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | S | A | 0.0000 | |
| 346 | Q | A | -0.5545 | |
| 347 | D | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | -0.1088 | |
| 350 | H | A | -0.2974 | |
| 351 | G | A | 0.6020 | |
| 352 | L | A | 1.4958 | |
| 353 | W | A | 0.8544 | |
| 354 | T | A | 0.4736 | |
| 355 | A | A | 0.6644 | |
| 356 | F | A | 0.6658 | |
| 357 | K | A | -0.3727 | |
| 358 | N | A | -1.1635 | |
| 359 | F | A | -0.9866 | |
| 360 | R | A | -1.2607 | |
| 361 | S | A | 0.0000 | |
| 362 | R | A | -2.7074 | |
| 363 | T | A | 0.0000 | |
| 364 | T | A | -1.6906 | |
| 365 | R | A | -2.4320 | |
| 366 | S | A | -1.2998 | |
| 367 | D | A | 0.0000 | |
| 368 | Q | A | -0.1429 | |
| 369 | T | A | -0.0005 | |
| 370 | L | A | 0.9258 | |
| 371 | R | A | -0.4749 | |
| 372 | D | A | -1.0713 | |
| 373 | R | A | -1.5850 | |
| 374 | I | A | -1.0070 | |
| 375 | L | A | -1.3222 | |
| 376 | E | A | -1.2128 | |
| 377 | V | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | R | A | -1.6398 | |
| 381 | A | A | 0.0000 | |
| 382 | G | A | -1.5798 | |
| 383 | H | A | -1.3205 | |
| 384 | H | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | D | A | -0.9947 | |
| 387 | A | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | Q | A | -0.0471 | |
| 390 | F | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | Y | A | 0.0000 | |
| 393 | D | A | -1.2162 | |
| 394 | H | A | -0.8980 | |
| 395 | S | A | -0.8343 | |
| 396 | N | A | -1.0448 | |
| 397 | P | A | -1.0220 | |
| 398 | N | A | -1.1927 | |
| 399 | L | A | -0.0224 | |
| 400 | T | A | -0.2495 | |
| 401 | T | A | -0.2136 | |
| 402 | P | A | -0.1437 | |
| 403 | G | A | -0.0915 | |
| 404 | T | A | 0.0402 | |
| 405 | V | A | 0.9066 | |
| 406 | A | A | 0.0000 | |
| 407 | G | A | -0.3618 | |
| 408 | N | A | -0.3621 | |
| 409 | A | A | -0.2726 | |
| 410 | A | A | -0.4503 | |
| 411 | G | A | -0.7811 | |
| 412 | G | A | -1.3467 | |
| 413 | T | A | -1.3867 | |
| 414 | R | A | -2.5077 | |
| 415 | H | A | -1.8076 | |
| 416 | Q | A | -1.9782 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -1.8716 | |
| 419 | V | A | 0.0000 | |
| 420 | R | A | -3.2088 | |
| 421 | D | A | -3.2017 | |
| 422 | R | A | -2.9567 | |
| 423 | P | A | -2.2589 | |
| 424 | I | A | 0.0000 | |
| 425 | Q | A | -1.3490 | |
| 426 | E | A | -1.1473 | |
| 427 | L | A | 0.0000 | |
| 428 | R | A | -1.0466 | |
| 429 | M | A | 0.0000 | |
| 430 | E | A | 0.1426 | |
| 431 | F | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | Q | A | -1.3669 | |
| 434 | D | A | -1.0819 | |
| 435 | V | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | S | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | Q | A | -1.5810 | |
| 441 | L | A | 0.0000 | |
| 442 | H | A | -1.7159 | |
| 443 | F | A | 0.0000 | |
| 444 | E | A | -2.5066 | |
| 445 | D | A | -2.5653 | |
| 446 | G | A | -1.8472 | |
| 447 | T | A | -1.2630 | |
| 448 | S | A | -1.3814 | |
| 449 | T | A | -1.2819 | |
| 450 | R | A | -2.4389 | |
| 451 | K | A | -2.0844 | |
| 452 | F | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | E | A | -1.5623 | |
| 456 | L | A | 0.6084 | |
| 457 | G | A | 0.3296 | |
| 458 | W | A | 0.9507 | |
| 459 | A | A | 0.5938 | |
| 460 | T | A | -0.1691 | |
| 461 | R | A | -0.0686 | |
| 462 | I | A | 1.2990 | |
| 463 | L | A | 0.6171 | |
| 464 | T | A | -0.0975 | |
| 465 | C | A | 0.0000 | |
| 466 | T | A | -0.4089 | |
| 467 | A | A | 0.0000 | |
| 468 | P | A | 0.0000 | |
| 469 | Y | A | 0.0825 | |
| 470 | G | A | 0.0000 | |
| 471 | Y | A | 0.0000 | |
| 472 | R | A | -0.5788 | |
| 473 | F | A | 0.0000 | |
| 474 | S | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | W | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | R | A | -1.7808 | |
| 480 | E | A | -1.4697 | |
| 481 | D | A | -1.0758 | |
| 482 | P | A | -0.9721 | |
| 483 | G | A | -0.9100 | |
| 484 | P | A | -0.5378 | |
| 485 | Y | A | -0.0213 | |
| 486 | R | A | -1.4832 | |
| 487 | T | A | -0.8993 | |
| 488 | T | A | -0.7985 | |
| 489 | A | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | R | A | -0.9155 | |
| 495 | F | A | 0.0000 | |
| 496 | Q | A | -0.3768 | |
| 497 | F | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | E | A | -0.7545 | |
| 501 | L | A | -0.6842 | |
| 502 | D | A | -1.6501 | |
| 503 | M | A | -0.8923 | |
| 504 | P | A | -0.5822 | |
| 505 | L | A | 0.0853 | |
| 506 | P | A | 0.1429 | |
| 507 | A | A | 0.0905 | |
| 508 | S | A | 0.0972 | |
| 509 | Y | A | 0.4367 |
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