| Chain sequence(s) |
A: GIINTLQKYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKKEAAAKDYKEITTARAAYRTHPVTGEKAAYHESGAATSLAAYSTAEATTARAAYKENGVVATFAAYVSKGLVEQWAAYKVTRDLTEWAAYAELRLISAYAAYTIKTRTPSLAAYYQYSPTERFAAYRTAHLTILKAAYKVLSINHPRGPGPGFTRNIVGLKKEESDAGPGPGQGDYKEITTARYSDEGPGPGELGYHVTNYNLDTKDGPGPGQSGRVTTQTPQTESAGPGPGLKNDFLANMSHEIRTGPGPGMDDYIAKPVNKQLLAGPGPGVEQWNRTEGEFIGRDGPGPGRSRFTFLNYLHENNRGPGPGIAPVTGDDEPAVPEEKKGVQLSKLSLAGRDQLKKRNIVGLKKEESDAKKENMETVGFEERRNQIKKRLAAGGQVGSEARKKDNNGATQTRTLEAAAK
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 (00:09:15)
[INFO] Main: Simulation completed successfully. (00:09:18)
|
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 | G | A | 0.7632 | |
| 2 | I | A | 2.3060 | |
| 3 | I | A | 2.2142 | |
| 4 | N | A | 0.1811 | |
| 5 | T | A | 0.7558 | |
| 6 | L | A | 1.4113 | |
| 7 | Q | A | 0.3093 | |
| 8 | K | A | -0.0048 | |
| 9 | Y | A | 0.7464 | |
| 10 | Y | A | 0.6839 | |
| 11 | C | A | 0.0000 | |
| 12 | R | A | -1.3128 | |
| 13 | V | A | 0.3376 | |
| 14 | R | A | -1.5855 | |
| 15 | G | A | -1.5648 | |
| 16 | G | A | -1.6494 | |
| 17 | R | A | -2.1868 | |
| 18 | C | A | -0.7238 | |
| 19 | A | A | -0.0701 | |
| 20 | V | A | 1.2760 | |
| 21 | L | A | 0.5669 | |
| 22 | S | A | -0.1970 | |
| 23 | C | A | 0.0000 | |
| 24 | L | A | -0.6349 | |
| 25 | P | A | -1.9169 | |
| 26 | K | A | -2.8652 | |
| 27 | E | A | -3.1817 | |
| 28 | E | A | -2.8514 | |
| 29 | Q | A | -1.8377 | |
| 30 | I | A | -1.2049 | |
| 31 | G | A | -2.0871 | |
| 32 | K | A | -2.7360 | |
| 33 | C | A | 0.0000 | |
| 34 | S | A | -1.7584 | |
| 35 | T | A | -2.0218 | |
| 36 | R | A | -3.2282 | |
| 37 | G | A | -2.9177 | |
| 38 | R | A | -3.7860 | |
| 39 | K | A | -4.2893 | |
| 40 | C | A | -3.5746 | |
| 41 | C | A | -3.7858 | |
| 42 | R | A | -5.1426 | |
| 43 | R | A | -5.0180 | |
| 44 | K | A | -4.7364 | |
| 45 | K | A | -5.0056 | |
| 46 | E | A | -4.2795 | |
| 47 | A | A | -3.5698 | |
| 48 | A | A | -3.4691 | |
| 49 | A | A | -2.8554 | |
| 50 | K | A | -3.7648 | |
| 51 | D | A | -3.1291 | |
| 52 | Y | A | -1.2911 | |
| 53 | K | A | -2.8525 | |
| 54 | E | A | -2.7414 | |
| 55 | I | A | -0.3663 | |
| 56 | T | A | -0.9520 | |
| 57 | T | A | -1.1740 | |
| 58 | A | A | -0.7792 | |
| 59 | R | A | -1.8676 | |
| 60 | A | A | -1.0785 | |
| 61 | A | A | -0.5533 | |
| 62 | Y | A | -0.6740 | |
| 63 | R | A | -2.3688 | |
| 64 | T | A | -1.2228 | |
| 65 | H | A | -0.7645 | |
| 66 | P | A | -0.1370 | |
| 67 | V | A | 1.2034 | |
| 68 | T | A | -0.0469 | |
| 69 | G | A | -0.9924 | |
| 70 | E | A | -1.7252 | |
| 71 | K | A | -1.4726 | |
| 72 | A | A | -1.6434 | |
| 73 | A | A | -1.1844 | |
| 74 | Y | A | -0.3799 | |
| 75 | H | A | -1.4420 | |
| 76 | E | A | -1.9960 | |
| 77 | S | A | -0.6976 | |
| 78 | G | A | -0.4907 | |
| 79 | A | A | -0.2641 | |
| 80 | A | A | 0.1540 | |
| 81 | T | A | 0.1863 | |
| 82 | S | A | 0.7423 | |
| 83 | L | A | 1.9214 | |
| 84 | A | A | 0.9257 | |
| 85 | A | A | 0.8751 | |
| 86 | Y | A | 1.3098 | |
| 87 | S | A | 0.2569 | |
| 88 | T | A | -0.0360 | |
| 89 | A | A | -0.4957 | |
| 90 | E | A | -1.7979 | |
| 91 | A | A | -1.2422 | |
| 92 | T | A | -1.1811 | |
| 93 | T | A | -1.4557 | |
| 94 | A | A | -1.6462 | |
| 95 | R | A | -2.7355 | |
| 96 | A | A | -2.1747 | |
| 97 | A | A | -1.6425 | |
| 98 | Y | A | -1.1202 | |
| 99 | K | A | -2.9531 | |
| 100 | E | A | -3.1198 | |
| 101 | N | A | -2.1298 | |
| 102 | G | A | -1.0075 | |
| 103 | V | A | 1.0294 | |
| 104 | V | A | 2.3312 | |
| 105 | A | A | 0.9855 | |
| 106 | T | A | 1.7894 | |
| 107 | F | A | 3.5926 | |
| 108 | A | A | 2.4280 | |
| 109 | A | A | 1.6200 | |
| 110 | Y | A | 2.6662 | |
| 111 | V | A | 2.5404 | |
| 112 | S | A | 0.9122 | |
| 113 | K | A | -0.3120 | |
| 114 | G | A | 0.1284 | |
| 115 | L | A | 0.8975 | |
| 116 | V | A | 1.0550 | |
| 117 | E | A | -1.2943 | |
| 118 | Q | A | -0.7217 | |
| 119 | W | A | 0.5811 | |
| 120 | A | A | 0.0178 | |
| 121 | A | A | -0.1351 | |
| 122 | Y | A | -0.0136 | |
| 123 | K | A | -1.2655 | |
| 124 | V | A | 0.4296 | |
| 125 | T | A | -0.3004 | |
| 126 | R | A | -1.8954 | |
| 127 | D | A | -1.0470 | |
| 128 | L | A | 0.8190 | |
| 129 | T | A | -0.3616 | |
| 130 | E | A | -0.7234 | |
| 131 | W | A | 0.6880 | |
| 132 | A | A | 0.0278 | |
| 133 | A | A | -0.0401 | |
| 134 | Y | A | 0.5304 | |
| 135 | A | A | -0.2929 | |
| 136 | E | A | -1.0293 | |
| 137 | L | A | 0.0732 | |
| 138 | R | A | -0.8954 | |
| 139 | L | A | 0.6259 | |
| 140 | I | A | 0.7729 | |
| 141 | S | A | 0.7223 | |
| 142 | A | A | 0.9548 | |
| 143 | Y | A | 1.8867 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | 0.8764 | |
| 146 | Y | A | 0.9408 | |
| 147 | T | A | -0.1572 | |
| 148 | I | A | 0.0000 | |
| 149 | K | A | -1.8333 | |
| 150 | T | A | -1.5257 | |
| 151 | R | A | -2.3099 | |
| 152 | T | A | -1.6188 | |
| 153 | P | A | -1.1188 | |
| 154 | S | A | -0.4872 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | -0.0937 | |
| 157 | A | A | 0.4497 | |
| 158 | Y | A | 0.9360 | |
| 159 | Y | A | 0.1972 | |
| 160 | Q | A | -0.0917 | |
| 161 | Y | A | 0.4857 | |
| 162 | S | A | -0.2921 | |
| 163 | P | A | -0.4612 | |
| 164 | T | A | -0.6064 | |
| 165 | E | A | -1.2384 | |
| 166 | R | A | -0.3429 | |
| 167 | F | A | -0.0813 | |
| 168 | A | A | -0.6202 | |
| 169 | A | A | -0.3649 | |
| 170 | Y | A | -0.4386 | |
| 171 | R | A | -1.4456 | |
| 172 | T | A | -0.4587 | |
| 173 | A | A | -0.3224 | |
| 174 | H | A | -0.5049 | |
| 175 | L | A | 0.1121 | |
| 176 | T | A | -0.2485 | |
| 177 | I | A | -0.2503 | |
| 178 | L | A | 0.0000 | |
| 179 | K | A | -1.4334 | |
| 180 | A | A | -0.7423 | |
| 181 | A | A | 0.0000 | |
| 182 | Y | A | -0.5548 | |
| 183 | K | A | -0.8783 | |
| 184 | V | A | 0.7243 | |
| 185 | L | A | -0.1187 | |
| 186 | S | A | -0.1565 | |
| 187 | I | A | 1.0728 | |
| 188 | N | A | -0.5213 | |
| 189 | H | A | -1.0500 | |
| 190 | P | A | -2.1583 | |
| 191 | R | A | -3.3686 | |
| 192 | G | A | -2.6018 | |
| 193 | P | A | -1.4305 | |
| 194 | G | A | -0.8657 | |
| 195 | P | A | -0.5363 | |
| 196 | G | A | 0.1084 | |
| 197 | F | A | 0.9894 | |
| 198 | T | A | -0.3398 | |
| 199 | R | A | -1.9103 | |
| 200 | N | A | -1.8887 | |
| 201 | I | A | 0.0000 | |
| 202 | V | A | -0.3349 | |
| 203 | G | A | -1.1812 | |
| 204 | L | A | -1.4924 | |
| 205 | K | A | -3.2957 | |
| 206 | K | A | -3.5871 | |
| 207 | E | A | -3.6873 | |
| 208 | E | A | -3.7213 | |
| 209 | S | A | -2.5255 | |
| 210 | D | A | -2.6299 | |
| 211 | A | A | -1.6438 | |
| 212 | G | A | -1.8281 | |
| 213 | P | A | -1.6476 | |
| 214 | G | A | -1.5236 | |
| 215 | P | A | -1.2469 | |
| 216 | G | A | -1.5592 | |
| 217 | Q | A | -2.2173 | |
| 218 | G | A | -2.4672 | |
| 219 | D | A | -2.7198 | |
| 220 | Y | A | -2.3635 | |
| 221 | K | A | -2.4932 | |
| 222 | E | A | -1.7413 | |
| 223 | I | A | 0.3850 | |
| 224 | T | A | 0.0000 | |
| 225 | T | A | -0.7127 | |
| 226 | A | A | 0.0000 | |
| 227 | R | A | -2.0642 | |
| 228 | Y | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | D | A | -0.9833 | |
| 231 | E | A | -1.3565 | |
| 232 | G | A | -0.9615 | |
| 233 | P | A | -1.2892 | |
| 234 | G | A | -1.3521 | |
| 235 | P | A | -1.3442 | |
| 236 | G | A | 0.0000 | |
| 237 | E | A | -2.6506 | |
| 238 | L | A | 0.0000 | |
| 239 | G | A | -1.1301 | |
| 240 | Y | A | 0.0000 | |
| 241 | H | A | 0.0000 | |
| 242 | V | A | 0.3146 | |
| 243 | T | A | -0.0290 | |
| 244 | N | A | -1.0817 | |
| 245 | Y | A | -1.5259 | |
| 246 | N | A | -2.3632 | |
| 247 | L | A | -2.1935 | |
| 248 | D | A | -2.5288 | |
| 249 | T | A | -2.1666 | |
| 250 | K | A | -2.8793 | |
| 251 | D | A | -2.9046 | |
| 252 | G | A | -1.9158 | |
| 253 | P | A | -1.2512 | |
| 254 | G | A | -1.4155 | |
| 255 | P | A | -0.3987 | |
| 256 | G | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | R | A | -0.7309 | |
| 261 | V | A | -0.1674 | |
| 262 | T | A | -0.6782 | |
| 263 | T | A | -0.6611 | |
| 264 | Q | A | -1.5185 | |
| 265 | T | A | -1.1257 | |
| 266 | P | A | -1.2368 | |
| 267 | Q | A | -1.9674 | |
| 268 | T | A | -1.6702 | |
| 269 | E | A | -2.2772 | |
| 270 | S | A | -1.3993 | |
| 271 | A | A | -0.8288 | |
| 272 | G | A | -0.9770 | |
| 273 | P | A | -0.6488 | |
| 274 | G | A | -0.7569 | |
| 275 | P | A | -1.2255 | |
| 276 | G | A | -1.0306 | |
| 277 | L | A | -0.0690 | |
| 278 | K | A | -1.5093 | |
| 279 | N | A | -1.8327 | |
| 280 | D | A | -1.6073 | |
| 281 | F | A | 0.2441 | |
| 282 | L | A | 0.0358 | |
| 283 | A | A | -0.8850 | |
| 284 | N | A | -1.6415 | |
| 285 | M | A | -0.8154 | |
| 286 | S | A | -1.2385 | |
| 287 | H | A | -2.3635 | |
| 288 | E | A | -2.8075 | |
| 289 | I | A | -1.6575 | |
| 290 | R | A | -2.8760 | |
| 291 | T | A | -1.9782 | |
| 292 | G | A | -1.5480 | |
| 293 | P | A | -1.3422 | |
| 294 | G | A | -0.7438 | |
| 295 | P | A | -0.2534 | |
| 296 | G | A | -0.2723 | |
| 297 | M | A | -0.4675 | |
| 298 | D | A | -0.3515 | |
| 299 | D | A | -0.2872 | |
| 300 | Y | A | 0.6801 | |
| 301 | I | A | -0.0984 | |
| 302 | A | A | 0.0000 | |
| 303 | K | A | -2.0261 | |
| 304 | P | A | -1.5433 | |
| 305 | V | A | -1.3688 | |
| 306 | N | A | -1.8583 | |
| 307 | K | A | -2.5152 | |
| 308 | Q | A | -1.9669 | |
| 309 | L | A | -0.5326 | |
| 310 | L | A | -0.5623 | |
| 311 | A | A | -0.4797 | |
| 312 | G | A | -0.5705 | |
| 313 | P | A | -0.7803 | |
| 314 | G | A | -0.8445 | |
| 315 | P | A | -0.9217 | |
| 316 | G | A | -1.0526 | |
| 317 | V | A | -1.1343 | |
| 318 | E | A | -2.5708 | |
| 319 | Q | A | -2.7532 | |
| 320 | W | A | 0.0000 | |
| 321 | N | A | -3.3424 | |
| 322 | R | A | -3.1528 | |
| 323 | T | A | -2.7025 | |
| 324 | E | A | -3.1568 | |
| 325 | G | A | -2.0913 | |
| 326 | E | A | -1.6081 | |
| 327 | F | A | -0.1929 | |
| 328 | I | A | 0.7376 | |
| 329 | G | A | -1.0218 | |
| 330 | R | A | -2.5317 | |
| 331 | D | A | -2.7591 | |
| 332 | G | A | 0.0000 | |
| 333 | P | A | -1.8646 | |
| 334 | G | A | -1.3763 | |
| 335 | P | A | -1.7794 | |
| 336 | G | A | -1.2545 | |
| 337 | R | A | -1.5809 | |
| 338 | S | A | -1.9505 | |
| 339 | R | A | -2.2600 | |
| 340 | F | A | -0.7262 | |
| 341 | T | A | 0.0000 | |
| 342 | F | A | -0.4730 | |
| 343 | L | A | -0.6509 | |
| 344 | N | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | H | A | -1.3717 | |
| 348 | E | A | -1.6887 | |
| 349 | N | A | 0.0000 | |
| 350 | N | A | -2.4040 | |
| 351 | R | A | -2.8450 | |
| 352 | G | A | -2.4230 | |
| 353 | P | A | -1.8695 | |
| 354 | G | A | 0.0000 | |
| 355 | P | A | -0.7150 | |
| 356 | G | A | -0.1793 | |
| 357 | I | A | 0.5610 | |
| 358 | A | A | 0.5559 | |
| 359 | P | A | 0.0000 | |
| 360 | V | A | 0.3969 | |
| 361 | T | A | 0.0000 | |
| 362 | G | A | -0.9026 | |
| 363 | D | A | -2.4230 | |
| 364 | D | A | -3.6528 | |
| 365 | E | A | -3.0878 | |
| 366 | P | A | -1.6972 | |
| 367 | A | A | -1.5136 | |
| 368 | V | A | -1.0796 | |
| 369 | P | A | -1.7619 | |
| 370 | E | A | -3.0612 | |
| 371 | E | A | -2.9943 | |
| 372 | K | A | -2.0233 | |
| 373 | K | A | -1.7595 | |
| 374 | G | A | -0.8301 | |
| 375 | V | A | -0.0107 | |
| 376 | Q | A | -0.3591 | |
| 377 | L | A | -0.1123 | |
| 378 | S | A | 0.0414 | |
| 379 | K | A | -0.1786 | |
| 380 | L | A | 0.9718 | |
| 381 | S | A | 0.8686 | |
| 382 | L | A | 1.1774 | |
| 383 | A | A | 0.1614 | |
| 384 | G | A | -0.9299 | |
| 385 | R | A | -1.6233 | |
| 386 | D | A | -2.8362 | |
| 387 | Q | A | -3.0837 | |
| 388 | L | A | 0.0000 | |
| 389 | K | A | -3.8794 | |
| 390 | K | A | -4.2064 | |
| 391 | R | A | -4.0864 | |
| 392 | N | A | -3.2414 | |
| 393 | I | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | G | A | -0.7850 | |
| 396 | L | A | 0.0000 | |
| 397 | K | A | -0.8320 | |
| 398 | K | A | -0.7026 | |
| 399 | E | A | 0.0000 | |
| 400 | E | A | -1.2437 | |
| 401 | S | A | -1.4515 | |
| 402 | D | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | K | A | -3.1072 | |
| 405 | K | A | -3.1277 | |
| 406 | E | A | -2.5208 | |
| 407 | N | A | -2.5888 | |
| 408 | M | A | -1.4510 | |
| 409 | E | A | 0.0000 | |
| 410 | T | A | -0.8915 | |
| 411 | V | A | 0.0000 | |
| 412 | G | A | -0.9789 | |
| 413 | F | A | 0.0000 | |
| 414 | E | A | -2.3129 | |
| 415 | E | A | -2.1005 | |
| 416 | R | A | -1.6874 | |
| 417 | R | A | -2.2725 | |
| 418 | N | A | -2.6162 | |
| 419 | Q | A | -2.3553 | |
| 420 | I | A | -2.3535 | |
| 421 | K | A | -3.4334 | |
| 422 | K | A | -3.4720 | |
| 423 | R | A | -3.1703 | |
| 424 | L | A | -2.2442 | |
| 425 | A | A | -1.8549 | |
| 426 | A | A | -1.6167 | |
| 427 | G | A | -1.1671 | |
| 428 | G | A | -1.1276 | |
| 429 | Q | A | -0.7025 | |
| 430 | V | A | 0.4437 | |
| 431 | G | A | -0.7895 | |
| 432 | S | A | -1.8299 | |
| 433 | E | A | -2.8493 | |
| 434 | A | A | -2.8019 | |
| 435 | R | A | -3.4198 | |
| 436 | K | A | -4.3098 | |
| 437 | K | A | -4.4468 | |
| 438 | D | A | -3.5830 | |
| 439 | N | A | -3.8546 | |
| 440 | N | A | -3.7831 | |
| 441 | G | A | 0.0000 | |
| 442 | A | A | -1.5771 | |
| 443 | T | A | -0.8419 | |
| 444 | Q | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | R | A | 0.0000 | |
| 447 | T | A | -0.1729 | |
| 448 | L | A | -0.6807 | |
| 449 | E | A | -2.0927 | |
| 450 | A | A | -1.5607 | |
| 451 | A | A | -0.9306 | |
| 452 | A | A | -1.1094 | |
| 453 | K | A | -2.1561 |
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