| Chain sequence(s) |
A: MVMEKPSPLLVGREFVRQYYTLLNKAPEYLHRFYGRNSSYVHGGVDASGKPQEAVYGQNDIHHKVLSLNFSECHTKIRHVDAHATLSDGVVVQVMGLLSNSGQPERKFMQTFVLAPEGSVPNKFYVHNDMFRYEDEVFGDSEPELDEESEDEVEEEQEERQPSPEPVQENANSGYYEAHPVTNGIEEPLEESSHEPEPEPESETKTEELKPQVEEKNLEELEEKSTTPPPAEPVSLPQEPPKAFSWASVTSKNLPPSGTVSSSGIPPHVKAPVSQPRVEAKPEVQSQPPRVREQRPRERPGFPPRGPRPGRGDMEQNDSDNRRIIRYPDSHQLFVGNLPHDIDENELKEFFMSFGNVVELRINTKGVGGKLPNFGFVVFDDSEPVQRILIAKPIMFRGEVRLNVEEKKTRAARERETRGGGDDRRDIRRNDRGPGGPRGIVGGGMMRDRDGRGPPPRGGMAQKLGSGRGTGQMEGRFTGQRR
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] (00:00:06)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:06)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:06)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:06)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:07)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:01)
[INFO] Main: Simulation completed successfully. (00:04:04)
|
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 | 1.8870 | |
| 2 | V | A | 1.9764 | |
| 3 | M | A | 0.4129 | |
| 4 | E | A | -1.8732 | |
| 5 | K | A | -2.3960 | |
| 6 | P | A | -0.9486 | |
| 7 | S | A | -0.1039 | |
| 8 | P | A | -0.2307 | |
| 9 | L | A | 0.8691 | |
| 10 | L | A | 0.6479 | |
| 11 | V | A | -0.3044 | |
| 12 | G | A | 0.0000 | |
| 13 | R | A | -2.3012 | |
| 14 | E | A | -2.0717 | |
| 15 | F | A | -1.2963 | |
| 16 | V | A | 0.0000 | |
| 17 | R | A | -3.0032 | |
| 18 | Q | A | -2.2978 | |
| 19 | Y | A | 0.0000 | |
| 20 | Y | A | 0.0000 | |
| 21 | T | A | -1.4501 | |
| 22 | L | A | -0.8478 | |
| 23 | L | A | 0.0000 | |
| 24 | N | A | -1.9678 | |
| 25 | K | A | -2.1978 | |
| 26 | A | A | -0.9093 | |
| 27 | P | A | -0.7559 | |
| 28 | E | A | -0.6274 | |
| 29 | Y | A | 0.3079 | |
| 30 | L | A | 0.0000 | |
| 31 | H | A | -1.4839 | |
| 32 | R | A | -1.8053 | |
| 33 | F | A | -0.6066 | |
| 34 | Y | A | 0.0000 | |
| 35 | G | A | -1.9550 | |
| 36 | R | A | -2.8629 | |
| 37 | N | A | -2.0853 | |
| 38 | S | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | H | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | G | A | -0.2561 | |
| 45 | V | A | -0.0317 | |
| 46 | D | A | -1.4043 | |
| 47 | A | A | -0.6919 | |
| 48 | S | A | -1.0239 | |
| 49 | G | A | -1.3023 | |
| 50 | K | A | -2.2069 | |
| 51 | P | A | -1.3458 | |
| 52 | Q | A | -1.7321 | |
| 53 | E | A | -2.0431 | |
| 54 | A | A | -0.6362 | |
| 55 | V | A | -0.2177 | |
| 56 | Y | A | -0.1524 | |
| 57 | G | A | -1.7420 | |
| 58 | Q | A | -2.7605 | |
| 59 | N | A | -2.8864 | |
| 60 | D | A | -2.3105 | |
| 61 | I | A | 0.0000 | |
| 62 | H | A | -1.8549 | |
| 63 | H | A | -1.8464 | |
| 64 | K | A | -1.0676 | |
| 65 | V | A | 0.0000 | |
| 66 | L | A | -0.0440 | |
| 67 | S | A | -0.3420 | |
| 68 | L | A | -0.2436 | |
| 69 | N | A | -1.1617 | |
| 70 | F | A | -1.1770 | |
| 71 | S | A | -1.8209 | |
| 72 | E | A | -2.9404 | |
| 73 | C | A | 0.0000 | |
| 74 | H | A | -2.5665 | |
| 75 | T | A | -2.0769 | |
| 76 | K | A | -2.6499 | |
| 77 | I | A | -1.8502 | |
| 78 | R | A | -2.5152 | |
| 79 | H | A | -2.4883 | |
| 80 | V | A | -1.8028 | |
| 81 | D | A | -2.2352 | |
| 82 | A | A | -0.8678 | |
| 83 | H | A | -0.7950 | |
| 84 | A | A | -0.1843 | |
| 85 | T | A | 0.1727 | |
| 86 | L | A | 0.9627 | |
| 87 | S | A | -0.3379 | |
| 88 | D | A | -1.3955 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | V | A | 0.1812 | |
| 92 | V | A | 0.0000 | |
| 93 | Q | A | -1.4052 | |
| 94 | V | A | 0.0000 | |
| 95 | M | A | -1.2659 | |
| 96 | G | A | 0.0000 | |
| 97 | L | A | -2.0248 | |
| 98 | L | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | N | A | -1.9535 | |
| 101 | S | A | -1.6741 | |
| 102 | G | A | -1.9463 | |
| 103 | Q | A | -2.4900 | |
| 104 | P | A | -2.0294 | |
| 105 | E | A | -3.1432 | |
| 106 | R | A | -2.7316 | |
| 107 | K | A | -2.5403 | |
| 108 | F | A | 0.0000 | |
| 109 | M | A | -0.2067 | |
| 110 | Q | A | 0.0000 | |
| 111 | T | A | -0.2026 | |
| 112 | F | A | 0.0000 | |
| 113 | V | A | 0.2859 | |
| 114 | L | A | 0.0000 | |
| 115 | A | A | -0.3951 | |
| 116 | P | A | -1.0716 | |
| 117 | E | A | -0.9077 | |
| 118 | G | A | -0.5502 | |
| 119 | S | A | -0.1525 | |
| 120 | V | A | 0.6394 | |
| 121 | P | A | -0.6111 | |
| 122 | N | A | -1.7281 | |
| 123 | K | A | -1.1362 | |
| 124 | F | A | -0.4225 | |
| 125 | Y | A | -0.2706 | |
| 126 | V | A | 0.0000 | |
| 127 | H | A | -0.5777 | |
| 128 | N | A | -0.1219 | |
| 129 | D | A | 0.0000 | |
| 130 | M | A | 0.2789 | |
| 131 | F | A | 0.0000 | |
| 132 | R | A | -0.5393 | |
| 133 | Y | A | -0.7252 | |
| 134 | E | A | -0.8435 | |
| 135 | D | A | -1.7015 | |
| 136 | E | A | -0.5099 | |
| 137 | V | A | 1.2693 | |
| 138 | F | A | 0.8022 | |
| 139 | G | A | -1.2890 | |
| 140 | D | A | -2.0432 | |
| 141 | S | A | -1.7575 | |
| 142 | E | A | -2.6808 | |
| 143 | P | A | -2.3875 | |
| 144 | E | A | -2.6368 | |
| 145 | L | A | -1.4571 | |
| 146 | D | A | -3.2809 | |
| 147 | E | A | -3.8703 | |
| 148 | E | A | -3.6855 | |
| 149 | S | A | -3.4729 | |
| 150 | E | A | -4.0020 | |
| 151 | D | A | -3.5970 | |
| 152 | E | A | -2.7160 | |
| 153 | V | A | -1.2345 | |
| 154 | E | A | -2.9535 | |
| 155 | E | A | -3.4891 | |
| 156 | E | A | -4.1537 | |
| 157 | Q | A | -4.0004 | |
| 158 | E | A | -4.3425 | |
| 159 | E | A | -4.3802 | |
| 160 | R | A | -3.9612 | |
| 161 | Q | A | -2.9435 | |
| 162 | P | A | -1.6605 | |
| 163 | S | A | -1.2415 | |
| 164 | P | A | -1.4998 | |
| 165 | E | A | -1.7575 | |
| 166 | P | A | -0.7931 | |
| 167 | V | A | 0.3145 | |
| 168 | Q | A | -1.7090 | |
| 169 | E | A | -2.7312 | |
| 170 | N | A | -2.6694 | |
| 171 | A | A | -1.7466 | |
| 172 | N | A | -1.7427 | |
| 173 | S | A | -0.7685 | |
| 174 | G | A | 0.1013 | |
| 175 | Y | A | 1.3369 | |
| 176 | Y | A | 1.0248 | |
| 177 | E | A | -1.1219 | |
| 178 | A | A | -1.1770 | |
| 179 | H | A | -1.1564 | |
| 180 | P | A | 0.0873 | |
| 181 | V | A | 1.1768 | |
| 182 | T | A | -0.0555 | |
| 183 | N | A | -0.7537 | |
| 184 | G | A | -0.6199 | |
| 185 | I | A | 0.0181 | |
| 186 | E | A | -1.8634 | |
| 187 | E | A | -2.1564 | |
| 188 | P | A | -1.1039 | |
| 189 | L | A | -0.4137 | |
| 190 | E | A | -1.9887 | |
| 191 | E | A | -2.5226 | |
| 192 | S | A | -1.7321 | |
| 193 | S | A | -1.5610 | |
| 194 | H | A | -2.1692 | |
| 195 | E | A | -2.8673 | |
| 196 | P | A | -2.2129 | |
| 197 | E | A | -2.7645 | |
| 198 | P | A | -2.1615 | |
| 199 | E | A | -2.8715 | |
| 200 | P | A | -2.1551 | |
| 201 | E | A | -2.9005 | |
| 202 | S | A | -2.2488 | |
| 203 | E | A | -2.7733 | |
| 204 | T | A | -2.3481 | |
| 205 | K | A | -2.9005 | |
| 206 | T | A | -2.4104 | |
| 207 | E | A | -2.8669 | |
| 208 | E | A | -2.5710 | |
| 209 | L | A | -0.5982 | |
| 210 | K | A | -1.7667 | |
| 211 | P | A | -1.2679 | |
| 212 | Q | A | -1.1219 | |
| 213 | V | A | -0.2129 | |
| 214 | E | A | -2.5538 | |
| 215 | E | A | -3.4679 | |
| 216 | K | A | -3.3515 | |
| 217 | N | A | -2.2657 | |
| 218 | L | A | -0.8320 | |
| 219 | E | A | -1.8695 | |
| 220 | E | A | -2.0838 | |
| 221 | L | A | -1.1586 | |
| 222 | E | A | -2.8102 | |
| 223 | E | A | -3.3168 | |
| 224 | K | A | -3.0808 | |
| 225 | S | A | -1.7949 | |
| 226 | T | A | -0.6895 | |
| 227 | T | A | -0.5337 | |
| 228 | P | A | -0.5210 | |
| 229 | P | A | -0.5227 | |
| 230 | P | A | -0.8507 | |
| 231 | A | A | -1.1897 | |
| 232 | E | A | -1.6225 | |
| 233 | P | A | -0.4176 | |
| 234 | V | A | 1.5229 | |
| 235 | S | A | 1.3699 | |
| 236 | L | A | 1.4359 | |
| 237 | P | A | -0.5329 | |
| 238 | Q | A | -1.9455 | |
| 239 | E | A | -2.8831 | |
| 240 | P | A | -1.9160 | |
| 241 | P | A | -1.5136 | |
| 242 | K | A | -1.7012 | |
| 243 | A | A | 0.1623 | |
| 244 | F | A | 1.7600 | |
| 245 | S | A | 1.0899 | |
| 246 | W | A | 1.9267 | |
| 247 | A | A | 1.1244 | |
| 248 | S | A | 0.9065 | |
| 249 | V | A | 1.6357 | |
| 250 | T | A | 0.1165 | |
| 251 | S | A | -0.7692 | |
| 252 | K | A | -1.8246 | |
| 253 | N | A | -1.4988 | |
| 254 | L | A | 0.2148 | |
| 255 | P | A | -0.1529 | |
| 256 | P | A | -0.3559 | |
| 257 | S | A | -0.4574 | |
| 258 | G | A | -0.2509 | |
| 259 | T | A | 0.4382 | |
| 260 | V | A | 1.4877 | |
| 261 | S | A | 0.4782 | |
| 262 | S | A | -0.1806 | |
| 263 | S | A | -0.1838 | |
| 264 | G | A | 0.2694 | |
| 265 | I | A | 1.5636 | |
| 266 | P | A | 0.2684 | |
| 267 | P | A | -0.0371 | |
| 268 | H | A | -0.6605 | |
| 269 | V | A | 0.3769 | |
| 270 | K | A | -1.0239 | |
| 271 | A | A | -0.1416 | |
| 272 | P | A | 0.2213 | |
| 273 | V | A | 1.2872 | |
| 274 | S | A | 0.0476 | |
| 275 | Q | A | -1.3901 | |
| 276 | P | A | -1.3826 | |
| 277 | R | A | -1.6348 | |
| 278 | V | A | -0.1245 | |
| 279 | E | A | -1.7066 | |
| 280 | A | A | -1.4517 | |
| 281 | K | A | -2.5600 | |
| 282 | P | A | -1.5733 | |
| 283 | E | A | -1.6350 | |
| 284 | V | A | 0.1009 | |
| 285 | Q | A | -1.1021 | |
| 286 | S | A | -1.2162 | |
| 287 | Q | A | -1.9168 | |
| 288 | P | A | -1.2504 | |
| 289 | P | A | -1.3104 | |
| 290 | R | A | -1.8933 | |
| 291 | V | A | -0.7254 | |
| 292 | R | A | -2.8195 | |
| 293 | E | A | -3.5659 | |
| 294 | Q | A | -3.5144 | |
| 295 | R | A | -3.8467 | |
| 296 | P | A | -3.1892 | |
| 297 | R | A | -3.8060 | |
| 298 | E | A | -3.9973 | |
| 299 | R | A | -3.1927 | |
| 300 | P | A | -1.5210 | |
| 301 | G | A | -0.5055 | |
| 302 | F | A | 1.0568 | |
| 303 | P | A | -0.0775 | |
| 304 | P | A | -1.0269 | |
| 305 | R | A | -2.3536 | |
| 306 | G | A | -2.1550 | |
| 307 | P | A | -1.8387 | |
| 308 | R | A | -2.4941 | |
| 309 | P | A | -1.7883 | |
| 310 | G | A | -2.1438 | |
| 311 | R | A | -2.7187 | |
| 312 | G | A | -2.0763 | |
| 313 | D | A | -2.5892 | |
| 314 | M | A | -1.4528 | |
| 315 | E | A | -2.8546 | |
| 316 | Q | A | -3.1930 | |
| 317 | N | A | -3.3864 | |
| 318 | D | A | -3.6296 | |
| 319 | S | A | -3.1548 | |
| 320 | D | A | -3.9060 | |
| 321 | N | A | -3.5016 | |
| 322 | R | A | -3.1760 | |
| 323 | R | A | -2.0994 | |
| 324 | I | A | 0.7493 | |
| 325 | I | A | 1.1021 | |
| 326 | R | A | -0.7585 | |
| 327 | Y | A | -0.8641 | |
| 328 | P | A | -1.3705 | |
| 329 | D | A | -2.0863 | |
| 330 | S | A | -1.9016 | |
| 331 | H | A | -2.0322 | |
| 332 | Q | A | -1.6781 | |
| 333 | L | A | 0.0000 | |
| 334 | F | A | -0.9021 | |
| 335 | V | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | N | A | -0.7922 | |
| 338 | L | A | 0.0000 | |
| 339 | P | A | -1.4897 | |
| 340 | H | A | -1.9602 | |
| 341 | D | A | -2.3596 | |
| 342 | I | A | -2.0251 | |
| 343 | D | A | -2.7475 | |
| 344 | E | A | -3.5284 | |
| 345 | N | A | -3.2709 | |
| 346 | E | A | -2.8180 | |
| 347 | L | A | 0.0000 | |
| 348 | K | A | -2.9013 | |
| 349 | E | A | -2.7079 | |
| 350 | F | A | -1.2706 | |
| 351 | F | A | 0.0000 | |
| 352 | M | A | -0.6399 | |
| 353 | S | A | -0.4135 | |
| 354 | F | A | -0.5533 | |
| 355 | G | A | -1.3342 | |
| 356 | N | A | -2.1428 | |
| 357 | V | A | 0.0000 | |
| 358 | V | A | -0.9326 | |
| 359 | E | A | -1.7899 | |
| 360 | L | A | -1.6467 | |
| 361 | R | A | -2.1585 | |
| 362 | I | A | -1.1931 | |
| 363 | N | A | -0.9813 | |
| 364 | T | A | -0.8416 | |
| 365 | K | A | -1.2301 | |
| 366 | G | A | -0.6095 | |
| 367 | V | A | 0.7630 | |
| 368 | G | A | -0.3830 | |
| 369 | G | A | -1.1337 | |
| 370 | K | A | -1.2663 | |
| 371 | L | A | -0.1987 | |
| 372 | P | A | -0.7802 | |
| 373 | N | A | 0.0000 | |
| 374 | F | A | -0.3195 | |
| 375 | G | A | 0.0000 | |
| 376 | F | A | -0.5532 | |
| 377 | V | A | 0.0000 | |
| 378 | V | A | -1.3107 | |
| 379 | F | A | 0.0000 | |
| 380 | D | A | -3.1486 | |
| 381 | D | A | -3.3818 | |
| 382 | S | A | -2.7512 | |
| 383 | E | A | -3.2214 | |
| 384 | P | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | Q | A | -2.0344 | |
| 387 | R | A | -1.4496 | |
| 388 | I | A | 0.0000 | |
| 389 | L | A | -0.4524 | |
| 390 | I | A | 1.1393 | |
| 391 | A | A | 0.1013 | |
| 392 | K | A | -0.9929 | |
| 393 | P | A | -0.9126 | |
| 394 | I | A | 0.0000 | |
| 395 | M | A | -0.7493 | |
| 396 | F | A | 0.0000 | |
| 397 | R | A | -2.1323 | |
| 398 | G | A | -1.8468 | |
| 399 | E | A | -2.3907 | |
| 400 | V | A | -1.4229 | |
| 401 | R | A | -1.5989 | |
| 402 | L | A | 0.0000 | |
| 403 | N | A | -0.9844 | |
| 404 | V | A | 0.0000 | |
| 405 | E | A | -2.1604 | |
| 406 | E | A | -2.4511 | |
| 407 | K | A | -2.4301 | |
| 408 | K | A | -3.1854 | |
| 409 | T | A | -2.5811 | |
| 410 | R | A | -3.2883 | |
| 411 | A | A | -2.6780 | |
| 412 | A | A | -3.0254 | |
| 413 | R | A | -4.2392 | |
| 414 | E | A | -4.6750 | |
| 415 | R | A | -4.8962 | |
| 416 | E | A | -4.3859 | |
| 417 | T | A | -3.4711 | |
| 418 | R | A | -4.0509 | |
| 419 | G | A | -3.5045 | |
| 420 | G | A | -2.6510 | |
| 421 | G | A | -2.8967 | |
| 422 | D | A | -4.0703 | |
| 423 | D | A | -4.3482 | |
| 424 | R | A | -4.4356 | |
| 425 | R | A | -4.4645 | |
| 426 | D | A | -3.8809 | |
| 427 | I | A | -1.8943 | |
| 428 | R | A | -3.4847 | |
| 429 | R | A | -4.0183 | |
| 430 | N | A | -3.8242 | |
| 431 | D | A | -3.9283 | |
| 432 | R | A | -3.5454 | |
| 433 | G | A | -2.3853 | |
| 434 | P | A | -1.4155 | |
| 435 | G | A | -0.9718 | |
| 436 | G | A | -1.2936 | |
| 437 | P | A | -1.5677 | |
| 438 | R | A | -1.8554 | |
| 439 | G | A | 0.0434 | |
| 440 | I | A | 2.0677 | |
| 441 | V | A | 2.2514 | |
| 442 | G | A | 0.3936 | |
| 443 | G | A | -0.1621 | |
| 444 | G | A | 0.0477 | |
| 445 | M | A | 0.9421 | |
| 446 | M | A | 0.3013 | |
| 447 | R | A | -2.5026 | |
| 448 | D | A | -3.8234 | |
| 449 | R | A | -4.0714 | |
| 450 | D | A | -3.7075 | |
| 451 | G | A | -2.7715 | |
| 452 | R | A | -2.7858 | |
| 453 | G | A | -1.6137 | |
| 454 | P | A | -1.0017 | |
| 455 | P | A | -0.9374 | |
| 456 | P | A | -1.3819 | |
| 457 | R | A | -2.3312 | |
| 458 | G | A | -1.4400 | |
| 459 | G | A | -0.6122 | |
| 460 | M | A | 0.5337 | |
| 461 | A | A | -0.3749 | |
| 462 | Q | A | -1.5769 | |
| 463 | K | A | -1.6997 | |
| 464 | L | A | 0.2513 | |
| 465 | G | A | -0.2270 | |
| 466 | S | A | -0.6977 | |
| 467 | G | A | -1.6991 | |
| 468 | R | A | -2.3959 | |
| 469 | G | A | -1.7070 | |
| 470 | T | A | -1.2090 | |
| 471 | G | A | -0.9736 | |
| 472 | Q | A | -1.2727 | |
| 473 | M | A | -0.6966 | |
| 474 | E | A | -2.2200 | |
| 475 | G | A | -1.5920 | |
| 476 | R | A | -1.5334 | |
| 477 | F | A | 0.7571 | |
| 478 | T | A | -0.0550 | |
| 479 | G | A | -1.1955 | |
| 480 | Q | A | -2.7590 | |
| 481 | R | A | -3.5796 | |
| 482 | R | A | -3.1677 |
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