| Chain sequence(s) |
A: MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDETDASSAVKVKRAVQKTSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNSKQSQDEPLRSRKVFVGRCTEDMTEDELREFFSQYGDVMDVFIPKPFRAFAFVTFADDQIAQSLCGEDLIIKGISVHISNAEPKHNSNRQLERSGRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | QK331A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.276537 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 A 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] FoldX: Building mutant model (00:03:10)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:36)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:33)
[INFO] Main: Simulation completed successfully. (00:06:37)
|
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 | -0.2263 | |
| 2 | S | A | -1.4623 | |
| 3 | E | A | -1.9420 | |
| 4 | Y | A | -0.5015 | |
| 5 | I | A | 0.0000 | |
| 6 | R | A | -1.5126 | |
| 7 | V | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | E | A | -3.6035 | |
| 10 | D | A | -4.6403 | |
| 11 | E | A | -4.5113 | |
| 12 | N | A | -4.2049 | |
| 13 | D | A | -4.6195 | |
| 14 | E | A | -3.7377 | |
| 15 | P | A | -2.4486 | |
| 16 | I | A | -0.9429 | |
| 17 | E | A | -1.7636 | |
| 18 | I | A | 0.0000 | |
| 19 | P | A | -1.0543 | |
| 20 | S | A | 0.0000 | |
| 21 | E | A | -2.7832 | |
| 22 | D | A | -3.3816 | |
| 23 | D | A | -3.2399 | |
| 24 | G | A | -2.2119 | |
| 25 | T | A | -1.4233 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.3108 | |
| 28 | L | A | 0.4898 | |
| 29 | S | A | -0.0694 | |
| 30 | T | A | -0.0794 | |
| 31 | V | A | 0.0000 | |
| 32 | T | A | -0.4209 | |
| 33 | A | A | -0.5287 | |
| 34 | Q | A | -1.1675 | |
| 35 | F | A | 0.0000 | |
| 36 | P | A | -0.6302 | |
| 37 | G | A | -0.6449 | |
| 38 | A | A | 0.0000 | |
| 39 | C | A | -0.0696 | |
| 40 | G | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -1.6379 | |
| 43 | Y | A | 0.0000 | |
| 44 | R | A | -2.2076 | |
| 45 | N | A | -1.1424 | |
| 46 | P | A | -0.1976 | |
| 47 | V | A | 1.0082 | |
| 48 | S | A | -0.1723 | |
| 49 | Q | A | -1.1443 | |
| 50 | C | A | -0.4443 | |
| 51 | M | A | -1.1327 | |
| 52 | R | A | -2.0288 | |
| 53 | G | A | -1.7163 | |
| 54 | V | A | -1.2098 | |
| 55 | R | A | -1.5301 | |
| 56 | L | A | 0.0387 | |
| 57 | V | A | 0.2198 | |
| 58 | E | A | -0.9621 | |
| 59 | G | A | -0.2579 | |
| 60 | I | A | 0.4067 | |
| 61 | L | A | 0.0000 | |
| 62 | H | A | -0.8201 | |
| 63 | A | A | -1.1003 | |
| 64 | P | A | -1.5808 | |
| 65 | D | A | -1.8788 | |
| 66 | A | A | -0.9970 | |
| 67 | G | A | -1.2323 | |
| 68 | W | A | 0.0000 | |
| 69 | G | A | -1.1240 | |
| 70 | N | A | -1.2560 | |
| 71 | L | A | -0.7562 | |
| 72 | V | A | -1.0862 | |
| 73 | Y | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | N | A | -1.2697 | |
| 77 | Y | A | -0.9151 | |
| 78 | P | A | -1.6511 | |
| 79 | K | A | -3.2971 | |
| 80 | D | A | -3.9920 | |
| 81 | N | A | -4.2003 | |
| 82 | K | A | -4.3986 | |
| 83 | R | A | -4.0172 | |
| 84 | K | A | -3.4099 | |
| 85 | M | A | -1.7329 | |
| 86 | D | A | -2.8354 | |
| 87 | E | A | -3.1054 | |
| 88 | T | A | -2.2909 | |
| 89 | D | A | -2.2776 | |
| 90 | A | A | -1.1758 | |
| 91 | S | A | -0.5232 | |
| 92 | S | A | -0.3431 | |
| 93 | A | A | 0.5159 | |
| 94 | V | A | 1.1353 | |
| 95 | K | A | -0.7261 | |
| 96 | V | A | 0.1039 | |
| 97 | K | A | -1.5947 | |
| 98 | R | A | -2.0664 | |
| 99 | A | A | -0.8285 | |
| 100 | V | A | -0.2405 | |
| 101 | Q | A | -1.6401 | |
| 102 | K | A | -1.8387 | |
| 103 | T | A | -1.0816 | |
| 104 | S | A | -1.1213 | |
| 105 | D | A | -0.3598 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | -0.0945 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.3028 | |
| 110 | G | A | 0.0615 | |
| 111 | L | A | 0.0000 | |
| 112 | P | A | -0.6460 | |
| 113 | W | A | -0.4733 | |
| 114 | K | A | -1.5647 | |
| 115 | T | A | 0.0000 | |
| 116 | T | A | -2.0332 | |
| 117 | E | A | -2.3554 | |
| 118 | Q | A | -2.8785 | |
| 119 | D | A | -2.9015 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -2.8666 | |
| 122 | E | A | -2.8323 | |
| 123 | Y | A | -1.3848 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | -1.1885 | |
| 126 | T | A | -0.5345 | |
| 127 | F | A | -0.3240 | |
| 128 | G | A | -0.9457 | |
| 129 | E | A | -1.6971 | |
| 130 | V | A | -0.5594 | |
| 131 | L | A | 0.8517 | |
| 132 | M | A | 0.2456 | |
| 133 | V | A | -0.8524 | |
| 134 | Q | A | -1.8144 | |
| 135 | V | A | 0.0000 | |
| 136 | K | A | -2.5642 | |
| 137 | K | A | -2.7818 | |
| 138 | D | A | -1.7539 | |
| 139 | L | A | -0.2966 | |
| 140 | K | A | -1.4539 | |
| 141 | T | A | -1.3006 | |
| 142 | G | A | -1.4184 | |
| 143 | H | A | -2.0030 | |
| 144 | S | A | -1.8579 | |
| 145 | K | A | -2.0046 | |
| 146 | G | A | -0.9394 | |
| 147 | F | A | -0.2300 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | -0.1762 | |
| 150 | V | A | 0.0000 | |
| 151 | R | A | -0.5820 | |
| 152 | F | A | 0.0000 | |
| 153 | T | A | -1.0488 | |
| 154 | E | A | -1.5757 | |
| 155 | Y | A | -1.1359 | |
| 156 | E | A | -1.5169 | |
| 157 | T | A | -1.1531 | |
| 158 | Q | A | 0.0000 | |
| 159 | V | A | -0.1049 | |
| 160 | K | A | -1.3724 | |
| 161 | V | A | 0.0000 | |
| 162 | M | A | -0.8758 | |
| 163 | S | A | -1.2326 | |
| 164 | Q | A | -1.9168 | |
| 165 | R | A | -1.9890 | |
| 166 | H | A | 0.0000 | |
| 167 | M | A | -0.3959 | |
| 168 | I | A | 0.0000 | |
| 169 | D | A | -1.6835 | |
| 170 | G | A | -1.2299 | |
| 171 | R | A | -1.2486 | |
| 172 | W | A | -0.2531 | |
| 173 | C | A | 0.0000 | |
| 174 | D | A | -1.0295 | |
| 175 | C | A | 0.0000 | |
| 176 | K | A | -1.0594 | |
| 177 | L | A | -1.0915 | |
| 178 | P | A | 0.0000 | |
| 179 | N | A | -2.3509 | |
| 180 | S | A | -1.8544 | |
| 181 | K | A | -2.4808 | |
| 182 | Q | A | -3.0971 | |
| 183 | S | A | -3.0708 | |
| 184 | Q | A | -3.2264 | |
| 185 | D | A | -3.3736 | |
| 186 | E | A | -3.3482 | |
| 187 | P | A | -2.0061 | |
| 188 | L | A | -0.9112 | |
| 189 | R | A | -2.7375 | |
| 190 | S | A | -2.4710 | |
| 191 | R | A | -2.8250 | |
| 192 | K | A | -2.3293 | |
| 193 | V | A | 0.0000 | |
| 194 | F | A | 0.2295 | |
| 195 | V | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | R | A | -2.2583 | |
| 198 | C | A | 0.0000 | |
| 199 | T | A | -2.1414 | |
| 200 | E | A | -3.0433 | |
| 201 | D | A | -2.9552 | |
| 202 | M | A | 0.0000 | |
| 203 | T | A | -2.0731 | |
| 204 | E | A | -2.0420 | |
| 205 | D | A | -3.3820 | |
| 206 | E | A | -3.1491 | |
| 207 | L | A | 0.0000 | |
| 208 | R | A | -3.6598 | |
| 209 | E | A | -3.6259 | |
| 210 | F | A | -1.8047 | |
| 211 | F | A | 0.0000 | |
| 212 | S | A | -2.0752 | |
| 213 | Q | A | -1.8620 | |
| 214 | Y | A | -0.6548 | |
| 215 | G | A | -1.1822 | |
| 216 | D | A | -2.3565 | |
| 217 | V | A | -1.7227 | |
| 218 | M | A | -0.7296 | |
| 219 | D | A | -1.6460 | |
| 220 | V | A | -0.5407 | |
| 221 | F | A | 0.8968 | |
| 222 | I | A | 0.0000 | |
| 223 | P | A | -0.7067 | |
| 224 | K | A | -1.8985 | |
| 225 | P | A | -1.7599 | |
| 226 | F | A | -1.6638 | |
| 227 | R | A | -2.4300 | |
| 228 | A | A | -1.5762 | |
| 229 | F | A | -0.4296 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.7054 | |
| 232 | V | A | 0.0000 | |
| 233 | T | A | -1.1752 | |
| 234 | F | A | 0.0000 | |
| 235 | A | A | -1.4677 | |
| 236 | D | A | -2.4099 | |
| 237 | D | A | -2.5701 | |
| 238 | Q | A | -2.4428 | |
| 239 | I | A | -1.5355 | |
| 240 | A | A | 0.0000 | |
| 241 | Q | A | -2.6975 | |
| 242 | S | A | -1.1666 | |
| 243 | L | A | 0.0000 | |
| 244 | C | A | -1.5251 | |
| 245 | G | A | -1.7794 | |
| 246 | E | A | -2.2216 | |
| 247 | D | A | -1.7392 | |
| 248 | L | A | -0.0299 | |
| 249 | I | A | 1.3146 | |
| 250 | I | A | 0.0000 | |
| 251 | K | A | -1.4640 | |
| 252 | G | A | -0.3304 | |
| 253 | I | A | 0.1237 | |
| 254 | S | A | -0.1480 | |
| 255 | V | A | 0.0000 | |
| 256 | H | A | -1.2765 | |
| 257 | I | A | 0.0000 | |
| 258 | S | A | -1.3221 | |
| 259 | N | A | -2.0474 | |
| 260 | A | A | -1.7498 | |
| 261 | E | A | -2.6911 | |
| 262 | P | A | -2.5943 | |
| 263 | K | A | -3.2246 | |
| 264 | H | A | -3.2485 | |
| 265 | N | A | -3.3986 | |
| 266 | S | A | -2.6652 | |
| 267 | N | A | -3.0567 | |
| 268 | R | A | -3.7817 | |
| 269 | Q | A | -2.9796 | |
| 270 | L | A | -1.4277 | |
| 271 | E | A | -3.3238 | |
| 272 | R | A | -3.2726 | |
| 273 | S | A | -1.8694 | |
| 274 | G | A | -1.8110 | |
| 275 | R | A | -1.9451 | |
| 276 | F | A | 0.2063 | |
| 277 | G | A | -0.6252 | |
| 278 | G | A | -1.1406 | |
| 279 | N | A | -1.6786 | |
| 280 | P | A | -1.3523 | |
| 281 | G | A | -0.7557 | |
| 282 | G | A | -0.0599 | |
| 283 | F | A | 1.1174 | |
| 284 | G | A | -0.5041 | |
| 285 | N | A | -1.7880 | |
| 286 | Q | A | -2.2562 | |
| 287 | G | A | -1.1925 | |
| 288 | G | A | -0.0971 | |
| 289 | F | A | 1.0814 | |
| 290 | G | A | -0.1815 | |
| 291 | N | A | -1.5679 | |
| 292 | S | A | -1.9304 | |
| 293 | R | A | -2.5771 | |
| 294 | G | A | -1.8736 | |
| 295 | G | A | -1.3611 | |
| 296 | G | A | -0.8739 | |
| 297 | A | A | -0.1479 | |
| 298 | G | A | 0.0914 | |
| 299 | L | A | 0.8352 | |
| 300 | G | A | -0.7144 | |
| 301 | N | A | -2.0473 | |
| 302 | N | A | -2.6879 | |
| 303 | Q | A | -2.3644 | |
| 304 | G | A | -1.8026 | |
| 305 | S | A | -1.1475 | |
| 306 | N | A | -1.0627 | |
| 307 | M | A | 0.0180 | |
| 308 | G | A | -0.4395 | |
| 309 | G | A | -0.6009 | |
| 310 | G | A | -0.2838 | |
| 311 | M | A | 0.5093 | |
| 312 | N | A | -0.1184 | |
| 313 | F | A | 1.6038 | |
| 314 | G | A | 0.7423 | |
| 315 | A | A | 1.1179 | |
| 316 | F | A | 2.0815 | |
| 317 | S | A | 0.6964 | |
| 318 | I | A | 0.8727 | |
| 319 | N | A | -0.3350 | |
| 320 | P | A | -0.0964 | |
| 321 | A | A | 0.3511 | |
| 322 | M | A | 0.8961 | |
| 323 | M | A | 0.8096 | |
| 324 | A | A | 0.2691 | |
| 325 | A | A | 0.5591 | |
| 326 | A | A | 0.2943 | |
| 327 | Q | A | -0.4712 | |
| 328 | A | A | -0.4378 | |
| 329 | A | A | -0.0531 | |
| 330 | L | A | 0.2756 | |
| 331 | K | A | -1.0697 | mutated: QK331A |
| 332 | S | A | -0.2912 | |
| 333 | S | A | 0.4567 | |
| 334 | W | A | 1.1036 | |
| 335 | G | A | 0.6241 | |
| 336 | M | A | 1.8213 | |
| 337 | M | A | 2.1994 | |
| 338 | G | A | 1.3778 | |
| 339 | M | A | 1.8869 | |
| 340 | L | A | 1.9439 | |
| 341 | A | A | 0.3527 | |
| 342 | S | A | -0.6918 | |
| 343 | Q | A | -1.8713 | |
| 344 | Q | A | -2.5599 | |
| 345 | N | A | -2.8750 | |
| 346 | Q | A | -2.5014 | |
| 347 | S | A | -1.5211 | |
| 348 | G | A | -1.2600 | |
| 349 | P | A | -0.9216 | |
| 350 | S | A | -0.9639 | |
| 351 | G | A | -1.5617 | |
| 352 | N | A | -2.4342 | |
| 353 | N | A | -2.8478 | |
| 354 | Q | A | -3.0055 | |
| 355 | N | A | -2.8296 | |
| 356 | Q | A | -2.5941 | |
| 357 | G | A | -1.7606 | |
| 358 | N | A | -1.5236 | |
| 359 | M | A | -0.6492 | |
| 360 | Q | A | -2.2614 | |
| 361 | R | A | -3.1910 | |
| 362 | E | A | -3.3652 | |
| 363 | P | A | -2.4879 | |
| 364 | N | A | -2.3516 | |
| 365 | Q | A | -1.4532 | |
| 366 | A | A | 0.0297 | |
| 367 | F | A | 1.4551 | |
| 368 | G | A | 0.1408 | |
| 369 | S | A | -0.5530 | |
| 370 | G | A | -1.6529 | |
| 371 | N | A | -2.2899 | |
| 372 | N | A | -1.8393 | |
| 373 | S | A | -0.6194 | |
| 374 | Y | A | 0.6616 | |
| 375 | S | A | -0.0955 | |
| 376 | G | A | -0.6915 | |
| 377 | S | A | -1.1878 | |
| 378 | N | A | -1.7392 | |
| 379 | S | A | -1.2132 | |
| 380 | G | A | -0.8583 | |
| 381 | A | A | 0.2453 | |
| 382 | A | A | 0.8772 | |
| 383 | I | A | 2.0743 | |
| 384 | G | A | 0.9899 | |
| 385 | W | A | 1.1106 | |
| 386 | G | A | -0.0890 | |
| 387 | S | A | -0.2058 | |
| 388 | A | A | -0.5292 | |
| 389 | S | A | -0.8733 | |
| 390 | N | A | -1.4363 | |
| 391 | A | A | -0.8929 | |
| 392 | G | A | -0.9119 | |
| 393 | S | A | -0.7322 | |
| 394 | G | A | -0.8896 | |
| 395 | S | A | -0.4753 | |
| 396 | G | A | -0.0412 | |
| 397 | F | A | 0.9471 | |
| 398 | N | A | -0.7970 | |
| 399 | G | A | -0.5395 | |
| 400 | G | A | -0.2331 | |
| 401 | F | A | 1.2987 | |
| 402 | G | A | 0.3471 | |
| 403 | S | A | 0.1016 | |
| 404 | S | A | -0.2842 | |
| 405 | M | A | -0.0253 | |
| 406 | D | A | -1.8172 | |
| 407 | S | A | -1.7319 | |
| 408 | K | A | -2.4124 | |
| 409 | S | A | -1.3358 | |
| 410 | S | A | -0.6994 | |
| 411 | G | A | -0.3441 | |
| 412 | W | A | 0.9185 | |
| 413 | G | A | 0.5155 | |
| 414 | M | A | 1.0865 |
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