| Chain sequence(s) |
A: MESIFHEKQEGSLCAQHCLNNLLQGEYFSPVELSSIAHQLDEEERMRMAEGGVTSEDYRTFLQQPSGNMDDSGFFSIQVISNALKVWGLELILFNSPEYQRLRIDPINERSFICNYKEHWFTVRKLGKQWFNLNSLLTGPELISDTYLALFLAQLQQEGYSIFVVKGDLPDCEADQLLQMIRNEEVLEEAKKLFIEATRLFLSVIKNMSEDPSFTQEEQDKLLKEYEELMKKVHELEDEARMEEKKRRYEEAKENVERVEEKIKKGMWPKGMQEYMLKIERKRLEEAEMELKAPE
B: MIDVSKFSIQERQVLVYEIMREVEENPHDPRLKGVSWYMLDRMMMYPEDEENIKRLEELLNG input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[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 all 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] Analysis: Starting Aggrescan3D on folded.pdb (00:07:02)
[INFO] Main: Simulation completed successfully. (00:07:05)
|
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 | 0.4101 | |
| 2 | E | A | -1.4609 | |
| 3 | S | A | -0.9575 | |
| 4 | I | A | -0.3987 | |
| 5 | F | A | -0.5847 | |
| 6 | H | A | -0.8381 | |
| 7 | E | A | -1.7362 | |
| 8 | K | A | -2.4890 | |
| 9 | Q | A | -2.2221 | |
| 10 | E | A | -2.6813 | |
| 11 | G | A | -1.6843 | |
| 12 | S | A | -1.3151 | |
| 13 | L | A | 0.0000 | |
| 14 | C | A | 0.0000 | |
| 15 | A | A | 0.0000 | |
| 16 | Q | A | -0.7686 | |
| 17 | H | A | 0.0000 | |
| 18 | C | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | N | A | 0.0000 | |
| 21 | N | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | Q | A | -0.8999 | |
| 25 | G | A | -0.8924 | |
| 26 | E | A | -1.8414 | |
| 27 | Y | A | -0.8142 | |
| 28 | F | A | 0.0000 | |
| 29 | S | A | -0.5250 | |
| 30 | P | A | -0.1726 | |
| 31 | V | A | -0.3320 | |
| 32 | E | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | S | A | -0.4456 | |
| 35 | S | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | H | A | -1.3081 | |
| 39 | Q | A | -1.4572 | |
| 40 | L | A | -1.2557 | |
| 41 | D | A | -1.7355 | |
| 42 | E | A | -2.7759 | |
| 43 | E | A | -2.2627 | |
| 44 | E | A | 0.0000 | |
| 45 | R | A | -1.7703 | |
| 46 | M | A | -0.9892 | |
| 47 | R | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | A | A | -1.1605 | |
| 50 | E | A | -2.0307 | |
| 51 | G | A | -1.8277 | |
| 52 | G | A | -1.4636 | |
| 53 | V | A | -1.6884 | |
| 54 | T | A | -1.4888 | |
| 55 | S | A | -1.8579 | |
| 56 | E | A | -2.9173 | |
| 57 | D | A | -2.5323 | |
| 58 | Y | A | -2.0540 | |
| 59 | R | A | -2.6985 | |
| 60 | T | A | -1.9008 | |
| 61 | F | A | 0.0000 | |
| 62 | L | A | -0.7781 | |
| 63 | Q | A | -1.4591 | |
| 64 | Q | A | -0.9473 | |
| 65 | P | A | -0.9180 | |
| 66 | S | A | -0.8402 | |
| 67 | G | A | -1.1536 | |
| 68 | N | A | -1.7225 | |
| 69 | M | A | -1.6729 | |
| 70 | D | A | -2.7847 | |
| 71 | D | A | -2.6511 | |
| 72 | S | A | -1.8981 | |
| 73 | G | A | 0.0000 | |
| 74 | F | A | -0.9608 | |
| 75 | F | A | 0.0000 | |
| 76 | S | A | -0.2094 | |
| 77 | I | A | 0.0000 | |
| 78 | Q | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -0.7953 | |
| 82 | N | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | K | A | -2.3678 | |
| 86 | V | A | -1.2190 | |
| 87 | W | A | -1.3725 | |
| 88 | G | A | -1.8836 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -2.7984 | |
| 91 | L | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | F | A | -0.7380 | |
| 95 | N | A | -2.1666 | |
| 96 | S | A | 0.0000 | |
| 97 | P | A | -1.6516 | |
| 98 | E | A | -2.1980 | |
| 99 | Y | A | 0.0000 | |
| 100 | Q | A | -3.2455 | |
| 101 | R | A | -3.0772 | |
| 102 | L | A | -1.6660 | |
| 103 | R | A | -2.9528 | |
| 104 | I | A | -2.1135 | |
| 105 | D | A | -2.1148 | |
| 106 | P | A | 0.0000 | |
| 107 | I | A | -1.3985 | |
| 108 | N | A | -2.4037 | |
| 109 | E | A | -2.1760 | |
| 110 | R | A | -2.8658 | |
| 111 | S | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | C | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | K | A | -0.9998 | |
| 118 | E | A | -1.2466 | |
| 119 | H | A | -0.7802 | |
| 120 | W | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | 0.0000 | |
| 125 | K | A | -1.6016 | |
| 126 | L | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | K | A | -2.7966 | |
| 129 | Q | A | -1.4858 | |
| 130 | W | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | N | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | 0.0000 | |
| 135 | S | A | -0.8812 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -0.8355 | |
| 139 | G | A | -0.2843 | |
| 140 | P | A | -0.1428 | |
| 141 | E | A | -0.3224 | |
| 142 | L | A | 0.0580 | |
| 143 | I | A | 0.0000 | |
| 144 | S | A | -0.9180 | |
| 145 | D | A | -1.2648 | |
| 146 | T | A | -0.4533 | |
| 147 | Y | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | A | A | -0.1912 | |
| 150 | L | A | -0.1149 | |
| 151 | F | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | -0.4029 | |
| 154 | Q | A | -1.2937 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | -1.2123 | |
| 157 | Q | A | -1.8299 | |
| 158 | E | A | -2.0342 | |
| 159 | G | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | K | A | -2.2489 | |
| 167 | G | A | -2.3709 | |
| 168 | D | A | -2.7102 | |
| 169 | L | A | -1.6676 | |
| 170 | P | A | -1.2553 | |
| 171 | D | A | -2.6137 | |
| 172 | C | A | -1.8787 | |
| 173 | E | A | -2.5059 | |
| 174 | A | A | 0.0000 | |
| 175 | D | A | -2.0330 | |
| 176 | Q | A | -2.0555 | |
| 177 | L | A | -0.0986 | |
| 178 | L | A | -0.6691 | |
| 179 | Q | A | -1.3674 | |
| 180 | M | A | 0.2442 | |
| 181 | I | A | -0.2113 | |
| 182 | R | A | -1.8704 | |
| 233 | N | A | -3.6288 | |
| 234 | E | A | -3.9464 | |
| 235 | E | A | -3.8163 | |
| 236 | V | A | -3.3416 | |
| 237 | L | A | -3.4684 | |
| 238 | E | A | -4.0263 | |
| 239 | E | A | -3.7383 | |
| 240 | A | A | 0.0000 | |
| 241 | K | A | -2.4424 | |
| 242 | K | A | -3.1700 | |
| 243 | L | A | -2.3883 | |
| 244 | F | A | 0.0000 | |
| 245 | I | A | -1.8281 | |
| 246 | E | A | -2.6513 | |
| 247 | A | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | R | A | -2.4602 | |
| 250 | L | A | -1.3810 | |
| 251 | F | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | S | A | -0.9108 | |
| 254 | V | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | K | A | -1.6196 | |
| 257 | N | A | -1.7748 | |
| 258 | M | A | -1.1303 | |
| 259 | S | A | -1.7937 | |
| 260 | E | A | -2.6484 | |
| 261 | D | A | -2.0607 | |
| 262 | P | A | -1.1678 | |
| 263 | S | A | -0.7615 | |
| 264 | F | A | -1.2836 | |
| 265 | T | A | -1.6525 | |
| 266 | Q | A | -2.7243 | |
| 267 | E | A | -3.4651 | |
| 268 | E | A | -3.1264 | |
| 269 | Q | A | 0.0000 | |
| 270 | D | A | -3.5143 | |
| 271 | K | A | -3.8205 | |
| 272 | L | A | -2.5285 | |
| 273 | L | A | 0.0000 | |
| 274 | K | A | -3.9987 | |
| 275 | E | A | -3.8639 | |
| 276 | Y | A | 0.0000 | |
| 277 | E | A | -3.3812 | |
| 278 | E | A | -4.0344 | |
| 279 | L | A | -2.8475 | |
| 280 | M | A | 0.0000 | |
| 281 | K | A | -3.7927 | |
| 282 | K | A | -3.5368 | |
| 283 | V | A | 0.0000 | |
| 284 | H | A | -2.6624 | |
| 285 | E | A | -3.8323 | |
| 286 | L | A | -3.3834 | |
| 287 | E | A | 0.0000 | |
| 288 | D | A | -4.1373 | |
| 289 | E | A | -3.8502 | |
| 290 | A | A | -3.7463 | |
| 291 | R | A | -3.4118 | |
| 342 | M | A | -2.1690 | |
| 343 | E | A | -3.4272 | |
| 344 | E | A | -3.8679 | |
| 345 | K | A | -3.6625 | |
| 346 | K | A | -4.2451 | |
| 347 | R | A | -4.7529 | |
| 348 | R | A | -4.3467 | |
| 349 | Y | A | -4.1252 | |
| 350 | E | A | -4.2508 | |
| 351 | E | A | -3.8973 | |
| 352 | A | A | 0.0000 | |
| 353 | K | A | -4.0828 | |
| 354 | E | A | -3.6107 | |
| 355 | N | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | E | A | -4.1894 | |
| 358 | R | A | -3.4968 | |
| 359 | V | A | 0.0000 | |
| 360 | E | A | -4.0446 | |
| 361 | E | A | -4.3707 | |
| 362 | K | A | -3.3411 | |
| 363 | I | A | -3.1883 | |
| 364 | K | A | -3.7197 | |
| 365 | K | A | -3.3734 | |
| 366 | G | A | -2.3880 | |
| 367 | M | A | -1.5409 | |
| 368 | W | A | 0.0000 | |
| 369 | P | A | -1.2559 | |
| 370 | K | A | -2.2921 | |
| 371 | G | A | -1.8930 | |
| 372 | M | A | 0.0000 | |
| 373 | Q | A | -2.0955 | |
| 374 | E | A | -2.3817 | |
| 375 | Y | A | -1.3282 | |
| 376 | M | A | 0.0000 | |
| 377 | L | A | -2.2300 | |
| 378 | K | A | -2.8666 | |
| 379 | I | A | 0.0000 | |
| 380 | E | A | 0.0000 | |
| 381 | R | A | -3.9296 | |
| 382 | K | A | -3.6512 | |
| 383 | R | A | -3.0706 | |
| 384 | L | A | -3.7111 | |
| 385 | E | A | -3.4960 | |
| 386 | E | A | -2.9368 | |
| 387 | A | A | 0.0000 | |
| 388 | E | A | -2.8423 | |
| 389 | M | A | -1.4430 | |
| 390 | E | A | -1.9316 | |
| 391 | L | A | -2.2715 | |
| 392 | K | A | -2.1032 | |
| 393 | A | A | -1.3829 | |
| 394 | P | A | -1.4088 | |
| 395 | E | A | -2.0800 | |
| 1 | M | B | 0.9800 | |
| 2 | I | B | 0.1985 | |
| 3 | D | B | -1.3632 | |
| 4 | V | B | 0.0000 | |
| 5 | S | B | -1.8061 | |
| 6 | K | B | -1.8516 | |
| 7 | F | B | -0.9350 | |
| 8 | S | B | -0.7814 | |
| 9 | I | B | -0.7729 | |
| 10 | Q | B | -1.1341 | |
| 11 | E | B | -1.3181 | |
| 12 | R | B | 0.0000 | |
| 13 | Q | B | 0.0000 | |
| 14 | V | B | -0.3010 | |
| 15 | L | B | 0.1254 | |
| 16 | V | B | 0.0000 | |
| 17 | Y | B | -0.1503 | |
| 18 | E | B | -0.4900 | |
| 19 | I | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | R | B | -2.3224 | |
| 22 | E | B | -2.8344 | |
| 23 | V | B | 0.0000 | |
| 24 | E | B | -3.6688 | |
| 25 | E | B | -3.8499 | |
| 26 | N | B | -3.3837 | |
| 27 | P | B | -2.8660 | |
| 28 | H | B | -2.9645 | |
| 29 | D | B | 0.0000 | |
| 30 | P | B | -2.1675 | |
| 31 | R | B | -2.9419 | |
| 32 | L | B | 0.0000 | |
| 33 | K | B | -2.5005 | |
| 34 | G | B | -1.8739 | |
| 35 | V | B | 0.0000 | |
| 36 | S | B | 0.0000 | |
| 37 | W | B | 0.1476 | |
| 38 | Y | B | 0.0224 | |
| 39 | M | B | -0.3550 | |
| 40 | L | B | 0.0000 | |
| 41 | D | B | 0.0000 | |
| 42 | R | B | -0.7427 | |
| 43 | M | B | 0.0000 | |
| 44 | M | B | 0.0000 | |
| 45 | M | B | 0.0000 | |
| 46 | Y | B | -1.0201 | |
| 47 | P | B | 0.0000 | |
| 48 | E | B | -2.2643 | |
| 49 | D | B | -3.4189 | |
| 50 | E | B | -4.0255 | |
| 51 | E | B | -4.0468 | |
| 52 | N | B | -3.3156 | |
| 53 | I | B | -3.4268 | |
| 54 | K | B | -4.2266 | |
| 55 | R | B | -3.5734 | |
| 56 | L | B | 0.0000 | |
| 57 | E | B | -2.5770 | |
| 58 | E | B | -3.2045 | |
| 59 | L | B | 0.0000 | |
| 60 | L | B | -0.9697 | |
| 61 | N | B | -1.0879 | |
| 62 | G | B | -1.8153 |
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