| Chain sequence(s) |
A: MEYLSGTVQALSQGFARIISASRQWGGMIALISQVYYSTGYSSRKMNPTLGLAIFLAVLLTVKGLLKPSFSPRNYKALSEVQGWKQRMAAKELARQNMDLGFKLLKKLAFYNPGRNIFLSPLSISTAFSMLCLGAQDSTLDEIKQGFNFRKMPEKDLHEGFHYIIHELTQKTQDLKLSIGNTLFIDQRLQPQRKFLEDAKNFYSAETILTNFQNLEMAQKQINDFISQKTHGKINNLIENIDPGTVMLLANYIFFRARWKHEFDPNVTKEEDFFLEKNSSVKVPMMFRSGIYQVGYDDKLSCTILEIPYQKNITAIFILPDEGKLKHLEKGLQVDTFSRWKTLLSRRVVDVSVPRLHMTGTFDLKKTLSYIGVSKIFEEHGDLTKIAPHRSLKVGEAVHKAELKMDERGTEGAAGTGAQTLPMETPLVVKIDKPYLLLIYSEKIPSVLFLGKIVNPIGK
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 (00:23:37)
[INFO] Main: Simulation completed successfully. (00:23:41)
|
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 | 0.3290 | |
| 2 | E | A | -0.9648 | |
| 3 | Y | A | 0.6003 | |
| 4 | L | A | 1.3633 | |
| 5 | S | A | 0.6642 | |
| 6 | G | A | 0.3419 | |
| 7 | T | A | 0.6776 | |
| 8 | V | A | 1.3670 | |
| 9 | Q | A | -0.2404 | |
| 10 | A | A | 0.4176 | |
| 11 | L | A | 1.2988 | |
| 12 | S | A | 0.1214 | |
| 13 | Q | A | -0.8693 | |
| 14 | G | A | 0.0918 | |
| 15 | F | A | 0.8303 | |
| 16 | A | A | -0.2294 | |
| 17 | R | A | -1.4366 | |
| 18 | I | A | 0.0000 | |
| 19 | I | A | 0.1405 | |
| 20 | S | A | -0.9015 | |
| 21 | A | A | -0.5059 | |
| 22 | S | A | -0.5311 | |
| 23 | R | A | -2.0632 | |
| 24 | Q | A | -1.5781 | |
| 25 | W | A | -0.0737 | |
| 26 | G | A | -0.0750 | |
| 27 | G | A | 0.7613 | |
| 28 | M | A | 1.5987 | |
| 29 | I | A | 2.4033 | |
| 30 | A | A | 1.3065 | |
| 31 | L | A | 1.0455 | |
| 32 | I | A | 1.6352 | |
| 33 | S | A | 0.8586 | |
| 34 | Q | A | -0.2204 | |
| 35 | V | A | 0.5460 | |
| 36 | Y | A | 0.7355 | |
| 37 | Y | A | 0.3671 | |
| 38 | S | A | -0.1822 | |
| 39 | T | A | 0.1064 | |
| 40 | G | A | 0.1627 | |
| 41 | Y | A | 0.7805 | |
| 42 | S | A | -0.3628 | |
| 43 | S | A | -0.7555 | |
| 44 | R | A | -2.3690 | |
| 45 | K | A | -1.8811 | |
| 46 | M | A | -0.5221 | |
| 47 | N | A | -1.0874 | |
| 48 | P | A | -0.5266 | |
| 49 | T | A | -0.2466 | |
| 50 | L | A | -0.2503 | |
| 51 | G | A | 0.4237 | |
| 52 | L | A | 1.5018 | |
| 53 | A | A | 0.9685 | |
| 54 | I | A | 1.7998 | |
| 55 | F | A | 2.5961 | |
| 56 | L | A | 2.2607 | |
| 57 | A | A | 1.2978 | |
| 58 | V | A | 1.3159 | |
| 59 | L | A | 0.8639 | |
| 60 | L | A | 0.4126 | |
| 61 | T | A | -0.1031 | |
| 62 | V | A | -0.4344 | |
| 63 | K | A | -1.3564 | |
| 64 | G | A | -1.3933 | |
| 65 | L | A | -0.2427 | |
| 66 | L | A | 0.0000 | |
| 67 | K | A | -1.6723 | |
| 68 | P | A | -1.2513 | |
| 69 | S | A | -0.8659 | |
| 70 | F | A | -0.7152 | |
| 71 | S | A | -1.0887 | |
| 72 | P | A | -1.1910 | |
| 73 | R | A | -2.5261 | |
| 74 | N | A | -1.8283 | |
| 75 | Y | A | -0.4276 | |
| 76 | K | A | -1.2798 | |
| 77 | A | A | -0.1278 | |
| 78 | L | A | 1.0870 | |
| 79 | S | A | -0.4924 | |
| 80 | E | A | -0.8558 | |
| 81 | V | A | 0.8809 | |
| 82 | Q | A | -0.7062 | |
| 83 | G | A | -0.8221 | |
| 84 | W | A | -0.4140 | |
| 85 | K | A | -2.0884 | |
| 86 | Q | A | -1.8263 | |
| 87 | R | A | -2.3178 | |
| 88 | M | A | -1.6176 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | K | A | -3.5893 | |
| 92 | E | A | -3.0908 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | R | A | -2.8040 | |
| 96 | Q | A | -1.7938 | |
| 97 | N | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | D | A | -1.5162 | |
| 100 | L | A | -0.9271 | |
| 101 | G | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | K | A | -2.3956 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.7159 | |
| 107 | K | A | -1.3122 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | F | A | 1.3381 | |
| 111 | Y | A | 1.3778 | |
| 112 | N | A | -0.0419 | |
| 113 | P | A | -0.6008 | |
| 114 | G | A | -1.6695 | |
| 115 | R | A | -2.2112 | |
| 116 | N | A | -1.5562 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | -0.0635 | |
| 119 | L | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | P | A | -0.1722 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | L | A | -0.3070 | |
| 134 | G | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | Q | A | -3.0964 | |
| 137 | D | A | -3.0345 | |
| 138 | S | A | -2.6531 | |
| 139 | T | A | 0.0000 | |
| 140 | L | A | -2.3692 | |
| 141 | D | A | -3.0262 | |
| 142 | E | A | -3.3792 | |
| 143 | I | A | 0.0000 | |
| 144 | K | A | -2.5130 | |
| 145 | Q | A | -2.5858 | |
| 146 | G | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | N | A | -2.2775 | |
| 149 | F | A | 0.0000 | |
| 150 | R | A | -3.2953 | |
| 151 | K | A | -2.9701 | |
| 152 | M | A | -2.0666 | |
| 153 | P | A | -1.8744 | |
| 154 | E | A | -2.0909 | |
| 155 | K | A | -2.3796 | |
| 156 | D | A | -2.2144 | |
| 157 | L | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | E | A | -1.9106 | |
| 160 | G | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | H | A | -0.7583 | |
| 163 | Y | A | -0.4660 | |
| 164 | I | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | H | A | -1.1892 | |
| 167 | E | A | -2.1466 | |
| 168 | L | A | 0.0000 | |
| 169 | T | A | -1.0910 | |
| 170 | Q | A | -1.4964 | |
| 171 | K | A | -1.4993 | |
| 172 | T | A | -1.5325 | |
| 173 | Q | A | -1.8881 | |
| 174 | D | A | -2.1991 | |
| 175 | L | A | 0.0000 | |
| 176 | K | A | -1.7105 | |
| 177 | L | A | 0.0000 | |
| 178 | S | A | -0.7004 | |
| 179 | I | A | 0.0000 | |
| 180 | G | A | -0.3714 | |
| 181 | N | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | D | A | -1.8475 | |
| 187 | Q | A | -2.7091 | |
| 188 | R | A | -2.8350 | |
| 189 | L | A | 0.0000 | |
| 190 | Q | A | -2.3417 | |
| 191 | P | A | -1.8819 | |
| 192 | Q | A | -2.7808 | |
| 193 | R | A | -3.5861 | |
| 194 | K | A | -3.4465 | |
| 195 | F | A | -2.3071 | |
| 196 | L | A | -2.3041 | |
| 197 | E | A | -3.2253 | |
| 198 | D | A | -2.2683 | |
| 199 | A | A | 0.0000 | |
| 200 | K | A | -1.7070 | |
| 201 | N | A | -2.0630 | |
| 202 | F | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | S | A | -0.9005 | |
| 205 | A | A | 0.0000 | |
| 206 | E | A | -0.3373 | |
| 207 | T | A | 0.0086 | |
| 208 | I | A | 0.0000 | |
| 209 | L | A | -0.4598 | |
| 210 | T | A | 0.0000 | |
| 211 | N | A | -2.4654 | |
| 212 | F | A | 0.0000 | |
| 213 | Q | A | -2.5040 | |
| 214 | N | A | -2.4049 | |
| 215 | L | A | -2.5033 | |
| 216 | E | A | -2.8895 | |
| 217 | M | A | -1.6742 | |
| 218 | A | A | 0.0000 | |
| 219 | Q | A | -2.8904 | |
| 220 | K | A | -3.1254 | |
| 221 | Q | A | -2.0993 | |
| 222 | I | A | 0.0000 | |
| 223 | N | A | 0.0000 | |
| 224 | D | A | -3.3054 | |
| 225 | F | A | -2.0278 | |
| 226 | I | A | 0.0000 | |
| 227 | S | A | -2.8508 | |
| 228 | Q | A | -2.8730 | |
| 229 | K | A | -2.5064 | |
| 230 | T | A | -2.2067 | |
| 231 | H | A | -2.3186 | |
| 232 | G | A | -2.4502 | |
| 233 | K | A | -2.0660 | |
| 234 | I | A | 0.0000 | |
| 235 | N | A | -2.8792 | |
| 236 | N | A | -2.9059 | |
| 237 | L | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | E | A | -3.2120 | |
| 240 | N | A | -2.9816 | |
| 241 | I | A | 0.0000 | |
| 242 | D | A | -2.3424 | |
| 243 | P | A | -1.7204 | |
| 244 | G | A | -1.1643 | |
| 245 | T | A | 0.0000 | |
| 246 | V | A | -0.7193 | |
| 247 | M | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | R | A | -2.4120 | |
| 257 | A | A | -2.2693 | |
| 258 | R | A | -2.9154 | |
| 259 | W | A | 0.0000 | |
| 260 | K | A | -3.3074 | |
| 261 | H | A | -3.1839 | |
| 262 | E | A | -3.1568 | |
| 263 | F | A | 0.0000 | |
| 264 | D | A | -1.8621 | |
| 265 | P | A | -1.5594 | |
| 266 | N | A | -1.6059 | |
| 267 | V | A | -0.9499 | |
| 268 | T | A | -1.7945 | |
| 269 | K | A | -3.3439 | |
| 270 | E | A | -3.8030 | |
| 271 | E | A | -3.9695 | |
| 272 | D | A | -2.8940 | |
| 273 | F | A | 0.0000 | |
| 274 | F | A | -1.1513 | |
| 275 | L | A | -0.7694 | |
| 276 | E | A | -2.8882 | |
| 277 | K | A | -3.4354 | |
| 278 | N | A | -2.5954 | |
| 279 | S | A | -1.3711 | |
| 280 | S | A | -1.0211 | |
| 281 | V | A | 0.1339 | |
| 282 | K | A | -2.5177 | |
| 283 | V | A | 0.0000 | |
| 284 | P | A | -2.0974 | |
| 285 | M | A | 0.0000 | |
| 286 | M | A | 0.0000 | |
| 287 | F | A | -0.4878 | |
| 288 | R | A | -1.3588 | |
| 289 | S | A | -0.2251 | |
| 290 | G | A | -0.5169 | |
| 291 | I | A | -0.2487 | |
| 292 | Y | A | -0.7311 | |
| 293 | Q | A | -1.3656 | |
| 294 | V | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | Y | A | 0.8328 | |
| 297 | D | A | -0.9708 | |
| 298 | D | A | -2.5372 | |
| 299 | K | A | -2.7048 | |
| 300 | L | A | -1.7926 | |
| 301 | S | A | -1.9536 | |
| 302 | C | A | 0.0000 | |
| 303 | T | A | 0.0360 | |
| 304 | I | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.5725 | |
| 307 | I | A | 0.0000 | |
| 308 | P | A | -1.1949 | |
| 309 | Y | A | 0.0000 | |
| 310 | Q | A | -2.7163 | |
| 311 | K | A | -2.3317 | |
| 312 | N | A | -2.4068 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | -0.8643 | |
| 315 | A | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | L | A | -0.7254 | |
| 320 | P | A | 0.0000 | |
| 321 | D | A | -3.0790 | |
| 322 | E | A | -3.5810 | |
| 323 | G | A | -2.7507 | |
| 324 | K | A | -2.3293 | |
| 325 | L | A | -2.0185 | |
| 326 | K | A | -2.3836 | |
| 327 | H | A | -2.5120 | |
| 328 | L | A | 0.0000 | |
| 329 | E | A | 0.0000 | |
| 330 | K | A | -2.8826 | |
| 331 | G | A | -2.1390 | |
| 332 | L | A | 0.0000 | |
| 333 | Q | A | -2.4586 | |
| 334 | V | A | -1.9053 | |
| 335 | D | A | -2.7455 | |
| 336 | T | A | -2.3282 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | -1.8901 | |
| 339 | R | A | -2.5837 | |
| 340 | W | A | 0.0000 | |
| 341 | K | A | -1.1803 | |
| 342 | T | A | -0.4285 | |
| 343 | L | A | 0.9176 | |
| 344 | L | A | -0.2191 | |
| 345 | S | A | -0.9641 | |
| 346 | R | A | -2.2805 | |
| 347 | R | A | -1.4721 | |
| 348 | V | A | 0.0308 | |
| 349 | V | A | 0.0000 | |
| 350 | D | A | -0.0183 | |
| 351 | V | A | 0.0000 | |
| 352 | S | A | -0.8829 | |
| 353 | V | A | 0.0000 | |
| 354 | P | A | 0.0000 | |
| 355 | R | A | -0.7870 | |
| 356 | L | A | 0.0000 | |
| 357 | H | A | -1.5873 | |
| 358 | M | A | 0.0000 | |
| 359 | T | A | -0.7512 | |
| 360 | G | A | 0.0000 | |
| 361 | T | A | -0.3100 | |
| 362 | F | A | -0.8257 | |
| 363 | D | A | -2.1174 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | -3.0202 | |
| 366 | K | A | -2.7890 | |
| 367 | T | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | S | A | -1.1277 | |
| 370 | Y | A | -0.8335 | |
| 371 | I | A | -0.9028 | |
| 372 | G | A | -1.3243 | |
| 373 | V | A | 0.0000 | |
| 374 | S | A | -2.4505 | |
| 375 | K | A | -3.7368 | |
| 376 | I | A | 0.0000 | |
| 377 | F | A | -2.1672 | |
| 378 | E | A | -3.7015 | |
| 379 | E | A | -3.9789 | |
| 380 | H | A | -3.5763 | |
| 381 | G | A | -2.7564 | |
| 382 | D | A | -3.1634 | |
| 383 | L | A | 0.0000 | |
| 384 | T | A | -1.7217 | |
| 385 | K | A | -2.0368 | |
| 386 | I | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | P | A | -1.6834 | |
| 389 | H | A | -2.2990 | |
| 390 | R | A | -2.9255 | |
| 391 | S | A | -2.4648 | |
| 392 | L | A | 0.0000 | |
| 393 | K | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | G | A | -1.3578 | |
| 396 | E | A | -1.2552 | |
| 397 | A | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | H | A | 0.0000 | |
| 400 | K | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | E | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | K | A | -1.6597 | |
| 405 | M | A | 0.0000 | |
| 406 | D | A | -2.1482 | |
| 407 | E | A | 0.0000 | |
| 408 | R | A | -3.3043 | |
| 409 | G | A | 0.0000 | |
| 410 | T | A | -2.7609 | |
| 411 | E | A | -2.8212 | |
| 412 | G | A | -1.5898 | |
| 413 | A | A | -0.8322 | |
| 414 | A | A | -0.5430 | |
| 415 | G | A | -0.7655 | |
| 416 | T | A | -0.6472 | |
| 417 | G | A | -0.8702 | |
| 418 | A | A | -0.7202 | |
| 419 | Q | A | -1.0261 | |
| 420 | T | A | -0.0787 | |
| 421 | L | A | 0.3240 | |
| 422 | P | A | 0.1672 | |
| 423 | M | A | 0.3274 | |
| 424 | E | A | -1.1926 | |
| 425 | T | A | -0.1827 | |
| 426 | P | A | 0.4698 | |
| 427 | L | A | 1.3647 | |
| 428 | V | A | 1.5953 | |
| 429 | V | A | 0.0000 | |
| 430 | K | A | -1.3554 | |
| 431 | I | A | 0.0000 | |
| 432 | D | A | -1.3832 | |
| 433 | K | A | -1.7937 | |
| 434 | P | A | -0.7672 | |
| 435 | Y | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | I | A | 0.0000 | |
| 440 | Y | A | 0.0000 | |
| 441 | S | A | 0.0000 | |
| 442 | E | A | -2.4040 | |
| 443 | K | A | -3.1455 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -2.4606 | |
| 446 | S | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | G | A | 0.0000 | |
| 452 | K | A | -0.5342 | |
| 453 | I | A | 0.0000 | |
| 454 | V | A | -0.6295 | |
| 455 | N | A | -0.1360 | |
| 456 | P | A | 0.0000 | |
| 457 | I | A | 0.3810 | |
| 458 | G | A | -0.7261 | |
| 459 | K | A | -1.5931 |
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