| Chain sequence(s) |
A: MGSIAGNDKPHAVCIPYPAQGHINPMFNLAKLLHHQGFYITFVNTEFNHKRLLKSRGPAALDGLPDFRFETIPDGLPSSDGDATQDIPSLCESTTKTCLAPFCSLLTKLNNAAPVMPPVTCIVSDGAMSFTLKAAEQFGLPEVLLWTTSACGFLGYTQYANLIERGYTPLKEMSQVTNGYLETTIDWIPGMKDIRLRDLPTFLRTTDSNDIMLNFVLREIEAVPKAKAIILNTFDALEHDVLDALSSMNPVIYSVGPLQLMMNHIQNEKHTLTSSSLWKEELECIKWLDKKEPNSVVYVNFGSIAVVTAQQLTEFAWGLANSKKSFLWIIRPDLVAGDLAMLPPEFVTETEDRSMLISWCPQEEVLKHPAIGGFLTHSGWNSTIESIVAGVPLICWPFFAEQQTNCRYSCVEWGMGMEIDNNVKRDEVEELVKELMDGEKGMKMKEKAMEWKKKAEEATAPGGSSFMNFEELVKLLQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:06)
[INFO] Main: Simulation completed successfully. (00:18:11)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.0304 | |
| 2 | G | A | 0.5003 | |
| 3 | S | A | 0.7684 | |
| 4 | I | A | 1.6349 | |
| 5 | A | A | 0.0464 | |
| 6 | G | A | -1.1869 | |
| 7 | N | A | -2.1187 | |
| 8 | D | A | -2.8925 | |
| 9 | K | A | -2.2817 | |
| 10 | P | A | -1.4672 | |
| 11 | H | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | C | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | P | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | P | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | Q | A | 0.0000 | |
| 21 | G | A | -0.3559 | |
| 22 | H | A | -0.4195 | |
| 23 | I | A | 0.0000 | |
| 24 | N | A | -0.6220 | |
| 25 | P | A | 0.0000 | |
| 26 | M | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | N | A | -0.2997 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | K | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | H | A | -0.6759 | |
| 35 | H | A | -0.9826 | |
| 36 | Q | A | -0.9631 | |
| 37 | G | A | -0.9718 | |
| 38 | F | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | I | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | E | A | -2.3498 | |
| 47 | F | A | -1.7891 | |
| 48 | N | A | 0.0000 | |
| 49 | H | A | -1.6629 | |
| 50 | K | A | -2.8595 | |
| 51 | R | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | L | A | -1.5351 | |
| 54 | K | A | -2.6208 | |
| 55 | S | A | 0.0000 | |
| 56 | R | A | -1.5239 | |
| 57 | G | A | -1.2425 | |
| 58 | P | A | -1.0748 | |
| 59 | A | A | -0.6782 | |
| 60 | A | A | -0.8349 | |
| 61 | L | A | -1.0807 | |
| 62 | D | A | -1.8513 | |
| 63 | G | A | -1.2048 | |
| 64 | L | A | -0.7219 | |
| 65 | P | A | -0.7915 | |
| 66 | D | A | -0.8837 | |
| 67 | F | A | 0.0000 | |
| 68 | R | A | -1.3767 | |
| 69 | F | A | -0.7193 | |
| 70 | E | A | -0.7367 | |
| 71 | T | A | -0.9328 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | -0.8205 | |
| 74 | D | A | 0.0000 | |
| 75 | G | A | -1.0633 | |
| 76 | L | A | -0.4735 | |
| 77 | P | A | -0.3552 | |
| 78 | S | A | -1.0214 | |
| 79 | S | A | -1.3318 | |
| 80 | D | A | -2.4405 | |
| 81 | G | A | -1.5527 | |
| 82 | D | A | -1.7767 | |
| 83 | A | A | -0.9884 | |
| 84 | T | A | -0.5608 | |
| 85 | Q | A | -0.9998 | |
| 86 | D | A | -1.7068 | |
| 87 | I | A | -0.7707 | |
| 88 | P | A | -0.7201 | |
| 89 | S | A | -0.9191 | |
| 90 | L | A | 0.0000 | |
| 91 | C | A | 0.0000 | |
| 92 | E | A | -1.4920 | |
| 93 | S | A | -1.2469 | |
| 94 | T | A | 0.0000 | |
| 95 | T | A | -1.4367 | |
| 96 | K | A | -2.0330 | |
| 97 | T | A | -1.0641 | |
| 98 | C | A | 0.0000 | |
| 99 | L | A | -0.3667 | |
| 100 | A | A | -0.0562 | |
| 101 | P | A | -0.0611 | |
| 102 | F | A | 0.0000 | |
| 103 | C | A | -0.4434 | |
| 104 | S | A | -0.5613 | |
| 105 | L | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | T | A | -1.3021 | |
| 108 | K | A | -2.2602 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.4399 | |
| 111 | N | A | -1.8627 | |
| 112 | A | A | -0.6685 | |
| 113 | A | A | -0.3179 | |
| 114 | P | A | 0.0956 | |
| 115 | V | A | 1.3614 | |
| 116 | M | A | 0.2385 | |
| 117 | P | A | 0.0000 | |
| 118 | P | A | -1.0307 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | -0.3981 | |
| 121 | C | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | D | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | A | A | -0.2061 | |
| 128 | M | A | 0.0000 | |
| 129 | S | A | -0.9479 | |
| 130 | F | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.7576 | |
| 134 | A | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | E | A | -3.1427 | |
| 137 | Q | A | -2.3598 | |
| 138 | F | A | -1.0154 | |
| 139 | G | A | -1.3121 | |
| 140 | L | A | -0.5559 | |
| 141 | P | A | -0.8495 | |
| 142 | E | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | W | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | C | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | T | A | -0.3040 | |
| 158 | Q | A | -0.3444 | |
| 159 | Y | A | 0.0000 | |
| 160 | A | A | -0.9877 | |
| 161 | N | A | -1.5750 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | -1.1454 | |
| 164 | E | A | -2.7068 | |
| 165 | R | A | -2.8139 | |
| 166 | G | A | -1.8632 | |
| 167 | Y | A | -0.9854 | |
| 168 | T | A | 0.0000 | |
| 169 | P | A | -1.3555 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -2.6720 | |
| 172 | E | A | -2.4856 | |
| 173 | M | A | -0.8744 | |
| 174 | S | A | -1.0529 | |
| 175 | Q | A | -1.3524 | |
| 176 | V | A | -0.6633 | |
| 177 | T | A | -0.7785 | |
| 178 | N | A | -1.4739 | |
| 179 | G | A | -1.1971 | |
| 180 | Y | A | -0.7341 | |
| 181 | L | A | 0.0000 | |
| 182 | E | A | -1.5696 | |
| 183 | T | A | -1.1696 | |
| 184 | T | A | -1.7756 | |
| 185 | I | A | 0.0000 | |
| 186 | D | A | -2.7038 | |
| 187 | W | A | -1.1447 | |
| 188 | I | A | 0.0000 | |
| 189 | P | A | -1.2859 | |
| 190 | G | A | -1.9752 | |
| 191 | M | A | 0.0000 | |
| 192 | K | A | -3.4243 | |
| 193 | D | A | -3.2405 | |
| 194 | I | A | 0.0000 | |
| 195 | R | A | -2.0387 | |
| 196 | L | A | 0.0000 | |
| 197 | R | A | -1.0455 | |
| 198 | D | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | F | A | 0.1031 | |
| 203 | L | A | 0.0000 | |
| 204 | R | A | -0.8514 | |
| 205 | T | A | 0.0000 | |
| 206 | T | A | -2.0944 | |
| 207 | D | A | -2.7922 | |
| 208 | S | A | -1.6683 | |
| 209 | N | A | -2.0286 | |
| 210 | D | A | -1.4539 | |
| 211 | I | A | -0.3742 | |
| 212 | M | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | N | A | -0.8657 | |
| 215 | F | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | L | A | -1.1215 | |
| 218 | R | A | -2.2652 | |
| 219 | E | A | 0.0000 | |
| 220 | I | A | -1.1696 | |
| 221 | E | A | -2.5180 | |
| 222 | A | A | -1.9119 | |
| 223 | V | A | 0.0000 | |
| 224 | P | A | -1.7422 | |
| 225 | K | A | -2.7841 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -1.5381 | |
| 228 | A | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | D | A | -1.5380 | |
| 236 | A | A | -1.1288 | |
| 237 | L | A | 0.0000 | |
| 238 | E | A | 0.0000 | |
| 239 | H | A | -2.2906 | |
| 240 | D | A | -2.7176 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | -1.6244 | |
| 243 | D | A | -2.6649 | |
| 244 | A | A | -1.4642 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -0.8702 | |
| 247 | S | A | -0.6056 | |
| 248 | M | A | -0.4644 | |
| 249 | N | A | -1.3133 | |
| 250 | P | A | 0.0000 | |
| 251 | V | A | 0.5055 | |
| 252 | I | A | 0.3978 | |
| 253 | Y | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | Q | A | -0.5560 | |
| 260 | L | A | -0.8145 | |
| 261 | M | A | 0.0000 | |
| 262 | M | A | -0.8148 | |
| 263 | N | A | -1.7073 | |
| 264 | H | A | -1.6364 | |
| 265 | I | A | 0.0000 | |
| 266 | Q | A | -2.8891 | |
| 267 | N | A | -3.0151 | |
| 268 | E | A | -3.0400 | |
| 269 | K | A | -2.8312 | |
| 270 | H | A | -1.8220 | |
| 271 | T | A | -0.9576 | |
| 272 | L | A | 0.0000 | |
| 273 | T | A | -0.4068 | |
| 274 | S | A | -0.3354 | |
| 275 | S | A | -0.2703 | |
| 276 | S | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -2.2979 | |
| 280 | E | A | -1.4637 | |
| 281 | E | A | -1.1139 | |
| 282 | L | A | -0.4423 | |
| 283 | E | A | -1.8199 | |
| 284 | C | A | 0.0000 | |
| 285 | I | A | -1.7350 | |
| 286 | K | A | -2.8492 | |
| 287 | W | A | -1.9679 | |
| 288 | L | A | 0.0000 | |
| 289 | D | A | -3.5033 | |
| 290 | K | A | -3.3929 | |
| 291 | K | A | -2.9816 | |
| 292 | E | A | -3.0349 | |
| 293 | P | A | -2.1646 | |
| 294 | N | A | -1.7827 | |
| 295 | S | A | -1.4800 | |
| 296 | V | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | N | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | G | A | 0.1576 | |
| 303 | S | A | 0.2859 | |
| 304 | I | A | 0.5493 | |
| 305 | A | A | 0.0000 | |
| 306 | V | A | 1.1423 | |
| 307 | V | A | 0.0000 | |
| 308 | T | A | -0.5375 | |
| 309 | A | A | -0.4562 | |
| 310 | Q | A | -1.5438 | |
| 311 | Q | A | -1.5033 | |
| 312 | L | A | 0.0000 | |
| 313 | T | A | -0.7203 | |
| 314 | E | A | -1.8569 | |
| 315 | F | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | W | A | -1.3082 | |
| 318 | G | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | N | A | -2.8046 | |
| 322 | S | A | 0.0000 | |
| 323 | K | A | -2.6475 | |
| 324 | K | A | -1.7517 | |
| 325 | S | A | -1.4461 | |
| 326 | F | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | W | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | I | A | 0.3283 | |
| 331 | R | A | 0.0000 | |
| 332 | P | A | -0.1857 | |
| 333 | D | A | -0.3356 | |
| 334 | L | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | A | A | -0.2187 | |
| 337 | G | A | -0.9256 | |
| 338 | D | A | -1.1757 | |
| 339 | L | A | 0.7709 | |
| 340 | A | A | 0.6951 | |
| 341 | M | A | 1.2547 | |
| 342 | L | A | 0.7471 | |
| 343 | P | A | -0.1974 | |
| 344 | P | A | -0.8689 | |
| 345 | E | A | -2.0455 | |
| 346 | F | A | 0.0000 | |
| 347 | V | A | -0.8195 | |
| 348 | T | A | -1.8780 | |
| 349 | E | A | -2.9092 | |
| 350 | T | A | 0.0000 | |
| 351 | E | A | -2.8366 | |
| 352 | D | A | -2.9029 | |
| 353 | R | A | -2.2036 | |
| 354 | S | A | -1.1903 | |
| 355 | M | A | -0.3002 | |
| 356 | L | A | 0.5424 | |
| 357 | I | A | 0.0000 | |
| 358 | S | A | -0.4190 | |
| 359 | W | A | -0.4387 | |
| 360 | C | A | 0.0000 | |
| 361 | P | A | -1.0142 | |
| 362 | Q | A | -1.5055 | |
| 363 | E | A | -2.4760 | |
| 364 | E | A | -2.4854 | |
| 365 | V | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -2.6509 | |
| 368 | H | A | -2.0093 | |
| 369 | P | A | -1.6719 | |
| 370 | A | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | F | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | T | A | 0.0000 | |
| 377 | H | A | -0.1340 | |
| 378 | S | A | 0.0000 | |
| 379 | G | A | -0.1240 | |
| 380 | W | A | 0.0000 | |
| 381 | N | A | -0.4849 | |
| 382 | S | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | S | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | A | A | -1.2721 | |
| 390 | G | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | P | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | W | A | 0.0000 | |
| 397 | P | A | -0.5505 | |
| 398 | F | A | 0.5303 | |
| 399 | F | A | 0.5894 | |
| 400 | A | A | 0.2357 | |
| 401 | E | A | -0.0690 | |
| 402 | Q | A | 0.0000 | |
| 403 | Q | A | -0.4047 | |
| 404 | T | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | C | A | 0.0000 | |
| 407 | R | A | 0.0000 | |
| 408 | Y | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | C | A | 0.1470 | |
| 411 | V | A | 1.0477 | |
| 412 | E | A | -0.8575 | |
| 413 | W | A | 0.0000 | |
| 414 | G | A | -0.8262 | |
| 415 | M | A | 0.0000 | |
| 416 | G | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | E | A | -2.3572 | |
| 419 | I | A | 0.0000 | |
| 420 | D | A | -3.4149 | |
| 421 | N | A | -3.0641 | |
| 422 | N | A | -2.8777 | |
| 423 | V | A | 0.0000 | |
| 424 | K | A | -3.6981 | |
| 425 | R | A | -3.1038 | |
| 426 | D | A | -3.5215 | |
| 427 | E | A | -3.0316 | |
| 428 | V | A | 0.0000 | |
| 429 | E | A | -3.2393 | |
| 430 | E | A | -3.2028 | |
| 431 | L | A | -2.2710 | |
| 432 | V | A | 0.0000 | |
| 433 | K | A | -2.8503 | |
| 434 | E | A | -2.6850 | |
| 435 | L | A | 0.0000 | |
| 436 | M | A | -1.7140 | |
| 437 | D | A | -2.7786 | |
| 438 | G | A | -2.8991 | |
| 439 | E | A | -3.1289 | |
| 440 | K | A | -3.0915 | |
| 441 | G | A | 0.0000 | |
| 442 | M | A | -2.0124 | |
| 443 | K | A | -2.8014 | |
| 444 | M | A | 0.0000 | |
| 445 | K | A | -1.9727 | |
| 446 | E | A | -2.8737 | |
| 447 | K | A | -2.7294 | |
| 448 | A | A | 0.0000 | |
| 449 | M | A | -2.0231 | |
| 450 | E | A | -2.9590 | |
| 451 | W | A | -2.5291 | |
| 452 | K | A | -3.0046 | |
| 453 | K | A | -3.9319 | |
| 454 | K | A | -3.3619 | |
| 455 | A | A | 0.0000 | |
| 456 | E | A | -3.6748 | |
| 457 | E | A | -3.5624 | |
| 458 | A | A | 0.0000 | |
| 459 | T | A | 0.0000 | |
| 460 | A | A | -1.4328 | |
| 461 | P | A | -0.8034 | |
| 462 | G | A | -0.7133 | |
| 463 | G | A | -1.1084 | |
| 464 | S | A | -0.4753 | |
| 465 | S | A | 0.0000 | |
| 466 | F | A | -0.2127 | |
| 467 | M | A | -0.0564 | |
| 468 | N | A | -0.6859 | |
| 469 | F | A | 0.0000 | |
| 470 | E | A | -1.5566 | |
| 471 | E | A | -1.9769 | |
| 472 | L | A | 0.0000 | |
| 473 | V | A | 0.0000 | |
| 474 | K | A | -2.5651 | |
| 475 | L | A | -1.4164 | |
| 476 | L | A | 0.0000 | |
| 477 | Q | A | -1.7787 |
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