| Chain sequence(s) |
A: NGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKGTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHLIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWQNDLGALENYLNKTNFNHSVFDVPLHYQFHAASTQGGGYDMRKLLNGTVVSKHPLKSVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:26)
[INFO] Main: Simulation completed successfully. (00:14:32)
|
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 | N | A | -1.4523 | |
| 2 | G | A | -0.7871 | |
| 3 | T | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | Q | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | F | A | 0.0000 | |
| 9 | E | A | 0.0000 | |
| 10 | W | A | 0.4632 | |
| 11 | Y | A | 0.0281 | |
| 12 | M | A | 0.0000 | |
| 13 | P | A | -0.9724 | |
| 14 | N | A | -1.7273 | |
| 15 | D | A | -1.6059 | |
| 16 | G | A | 0.0000 | |
| 17 | Q | A | -1.7341 | |
| 18 | H | A | 0.0000 | |
| 19 | W | A | 0.0000 | |
| 20 | K | A | -2.2890 | |
| 21 | R | A | -2.0115 | |
| 22 | L | A | 0.0000 | |
| 23 | Q | A | -2.1757 | |
| 24 | N | A | -2.1642 | |
| 25 | D | A | -1.4309 | |
| 26 | S | A | 0.0000 | |
| 27 | A | A | -1.1941 | |
| 28 | Y | A | -0.7525 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | -1.6481 | |
| 31 | E | A | -2.1724 | |
| 32 | H | A | -1.3643 | |
| 33 | G | A | -1.3524 | |
| 34 | I | A | 0.0000 | |
| 35 | T | A | -1.3858 | |
| 36 | A | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | P | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | K | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | T | A | -0.4032 | |
| 47 | S | A | -0.7109 | |
| 48 | Q | A | -0.9864 | |
| 49 | A | A | -0.7355 | |
| 50 | D | A | -0.4638 | |
| 51 | V | A | 0.1276 | |
| 52 | G | A | 0.0000 | |
| 53 | Y | A | 0.1990 | |
| 54 | G | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | D | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | E | A | -0.7318 | |
| 64 | F | A | -0.5839 | |
| 65 | H | A | -1.0420 | |
| 66 | Q | A | 0.0000 | |
| 67 | K | A | -1.1701 | |
| 68 | G | A | -0.9890 | |
| 69 | T | A | 0.0000 | |
| 70 | V | A | -0.1366 | |
| 71 | R | A | -0.5314 | |
| 72 | T | A | 0.0000 | |
| 73 | K | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | T | A | -0.7558 | |
| 77 | K | A | -0.9060 | |
| 78 | G | A | -1.0683 | |
| 79 | E | A | -1.4494 | |
| 80 | L | A | 0.0000 | |
| 81 | Q | A | -1.5542 | |
| 82 | S | A | -1.4902 | |
| 83 | A | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | K | A | -2.7394 | |
| 86 | S | A | -2.1521 | |
| 87 | L | A | 0.0000 | |
| 88 | H | A | -2.7421 | |
| 89 | S | A | -2.3753 | |
| 90 | R | A | -3.4775 | |
| 91 | D | A | -3.2407 | |
| 92 | I | A | 0.0000 | |
| 93 | N | A | -1.7104 | |
| 94 | V | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | H | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -0.1914 | |
| 106 | A | A | 0.0000 | |
| 107 | D | A | -0.6924 | |
| 108 | A | A | -0.4332 | |
| 109 | T | A | -0.8338 | |
| 110 | E | A | -1.2529 | |
| 111 | D | A | -1.9293 | |
| 112 | V | A | 0.0000 | |
| 113 | T | A | -0.9412 | |
| 114 | A | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | E | A | -0.5712 | |
| 117 | V | A | 0.0000 | |
| 118 | D | A | -1.1317 | |
| 119 | P | A | -1.1101 | |
| 120 | A | A | -1.5449 | |
| 121 | D | A | -2.7359 | |
| 122 | R | A | 0.0000 | |
| 123 | N | A | -2.2954 | |
| 124 | R | A | -2.0916 | |
| 125 | V | A | 0.0035 | |
| 126 | I | A | 0.7610 | |
| 127 | S | A | -0.0921 | |
| 128 | G | A | -1.0084 | |
| 129 | E | A | -1.8840 | |
| 130 | H | A | -0.7176 | |
| 131 | L | A | 0.0356 | |
| 132 | I | A | 0.0000 | |
| 133 | K | A | -1.9214 | |
| 134 | A | A | 0.0000 | |
| 135 | W | A | -0.0927 | |
| 136 | T | A | 0.0000 | |
| 137 | H | A | -0.4249 | |
| 138 | F | A | 0.0000 | |
| 139 | H | A | -1.1406 | |
| 140 | F | A | 0.0000 | |
| 141 | P | A | -0.7608 | |
| 142 | G | A | -0.8791 | |
| 143 | R | A | 0.0000 | |
| 144 | G | A | -0.7926 | |
| 145 | S | A | -1.1172 | |
| 146 | T | A | -0.3463 | |
| 147 | Y | A | -0.0356 | |
| 148 | S | A | 0.0000 | |
| 149 | D | A | -1.9996 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -1.2317 | |
| 152 | W | A | 0.0000 | |
| 153 | H | A | -0.0984 | |
| 154 | W | A | 0.2060 | |
| 155 | Y | A | 0.4247 | |
| 156 | H | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | D | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | D | A | -0.5934 | |
| 162 | W | A | -1.0390 | |
| 163 | D | A | 0.0000 | |
| 164 | E | A | -2.0001 | |
| 165 | S | A | -1.7760 | |
| 166 | R | A | -2.5102 | |
| 167 | K | A | -2.8136 | |
| 168 | L | A | -1.9068 | |
| 169 | N | A | -2.1972 | |
| 170 | R | A | -1.9341 | |
| 171 | I | A | -0.4814 | |
| 172 | Y | A | 0.0000 | |
| 173 | K | A | -1.0217 | |
| 174 | F | A | 0.0000 | |
| 175 | Q | A | -1.5366 | |
| 176 | G | A | -1.0320 | |
| 177 | K | A | -0.9286 | |
| 178 | A | A | -0.6226 | |
| 179 | W | A | 0.0000 | |
| 180 | D | A | 0.0000 | |
| 181 | W | A | -0.1848 | |
| 182 | E | A | -1.7449 | |
| 183 | V | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | N | A | -2.5589 | |
| 186 | E | A | -2.7684 | |
| 187 | N | A | -2.4766 | |
| 188 | G | A | -2.4373 | |
| 189 | N | A | 0.0000 | |
| 190 | Y | A | -1.1770 | |
| 191 | D | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | L | A | 0.7628 | |
| 194 | M | A | 0.8542 | |
| 195 | Y | A | 0.8876 | |
| 196 | A | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | D | A | -2.0912 | |
| 202 | H | A | -1.5698 | |
| 203 | P | A | -1.5385 | |
| 204 | D | A | -1.9297 | |
| 205 | V | A | 0.0000 | |
| 206 | A | A | -1.3798 | |
| 207 | A | A | -0.9540 | |
| 208 | E | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | K | A | -1.5254 | |
| 211 | R | A | -1.2747 | |
| 212 | W | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | T | A | -1.4347 | |
| 215 | W | A | -0.9794 | |
| 216 | Y | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | N | A | -2.1039 | |
| 219 | E | A | -1.4597 | |
| 220 | L | A | 0.0000 | |
| 221 | Q | A | -2.2949 | |
| 222 | L | A | 0.0000 | |
| 223 | D | A | -1.6375 | |
| 224 | G | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | A | A | -0.0059 | |
| 230 | V | A | 0.0000 | |
| 231 | K | A | -0.7944 | |
| 232 | H | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | K | A | -1.1236 | |
| 235 | F | A | 0.0000 | |
| 236 | S | A | -1.5269 | |
| 237 | F | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | R | A | -2.4487 | |
| 240 | D | A | -2.7456 | |
| 241 | W | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | N | A | -3.1224 | |
| 244 | H | A | -2.7723 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -3.5389 | |
| 247 | E | A | -3.9236 | |
| 248 | K | A | -3.5966 | |
| 249 | T | A | -3.1069 | |
| 250 | G | A | -2.9056 | |
| 251 | K | A | -3.5367 | |
| 252 | E | A | -3.1256 | |
| 253 | M | A | 0.0000 | |
| 254 | F | A | -0.5476 | |
| 255 | T | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | E | A | -0.2001 | |
| 259 | Y | A | 0.0000 | |
| 260 | W | A | -0.4427 | |
| 261 | Q | A | -1.1842 | |
| 262 | N | A | -1.8520 | |
| 263 | D | A | -1.7488 | |
| 264 | L | A | -1.4279 | |
| 265 | G | A | -1.1308 | |
| 266 | A | A | -1.4250 | |
| 267 | L | A | 0.0000 | |
| 268 | E | A | -1.7388 | |
| 269 | N | A | -2.2583 | |
| 270 | Y | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | N | A | -2.5732 | |
| 273 | K | A | -2.6812 | |
| 274 | T | A | 0.0000 | |
| 275 | N | A | -2.1062 | |
| 276 | F | A | -0.8022 | |
| 277 | N | A | -1.1537 | |
| 278 | H | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | H | A | 0.0000 | |
| 287 | Y | A | -0.2556 | |
| 288 | Q | A | -0.7038 | |
| 289 | F | A | 0.0000 | |
| 290 | H | A | -0.5787 | |
| 291 | A | A | -0.6231 | |
| 292 | A | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | T | A | -1.0942 | |
| 295 | Q | A | -1.6391 | |
| 296 | G | A | -1.2980 | |
| 297 | G | A | -1.1967 | |
| 298 | G | A | -1.1791 | |
| 299 | Y | A | -1.1615 | |
| 300 | D | A | 0.0000 | |
| 301 | M | A | 0.0000 | |
| 302 | R | A | -2.6095 | |
| 303 | K | A | -2.3496 | |
| 304 | L | A | 0.0000 | |
| 305 | L | A | -1.2888 | |
| 306 | N | A | -2.1523 | |
| 307 | G | A | -1.6987 | |
| 308 | T | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | S | A | -1.0986 | |
| 312 | K | A | -1.8922 | |
| 313 | H | A | -0.7461 | |
| 314 | P | A | -0.3046 | |
| 315 | L | A | 1.0742 | |
| 316 | K | A | 0.1291 | |
| 317 | S | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | 0.0000 | |
| 323 | N | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | D | A | -0.6856 | |
| 326 | T | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | G | A | -1.7359 | |
| 330 | Q | A | -0.9167 | |
| 331 | S | A | -0.7803 | |
| 332 | L | A | -0.6849 | |
| 333 | E | A | -1.8883 | |
| 334 | S | A | 0.0000 | |
| 335 | T | A | -0.9014 | |
| 336 | V | A | 0.0000 | |
| 337 | Q | A | -0.8026 | |
| 338 | T | A | -0.2897 | |
| 339 | W | A | 0.0519 | |
| 340 | F | A | 0.0000 | |
| 341 | K | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | T | A | 0.0000 | |
| 351 | R | A | 0.0000 | |
| 352 | E | A | -2.0263 | |
| 353 | S | A | -0.9426 | |
| 354 | G | A | -0.1655 | |
| 355 | Y | A | -0.0508 | |
| 356 | P | A | 0.0000 | |
| 357 | Q | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | Y | A | 0.2284 | |
| 361 | G | A | 0.0000 | |
| 362 | D | A | 0.0000 | |
| 363 | M | A | 0.0000 | |
| 364 | Y | A | -0.0545 | |
| 365 | G | A | -0.4586 | |
| 366 | T | A | 0.0000 | |
| 367 | K | A | -2.3522 | |
| 368 | G | A | -2.2929 | |
| 369 | D | A | -3.0788 | |
| 370 | S | A | -2.6909 | |
| 371 | Q | A | -3.1199 | |
| 372 | R | A | -3.3098 | |
| 373 | E | A | -2.6865 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.7555 | |
| 376 | A | A | -0.4064 | |
| 377 | L | A | 0.0000 | |
| 378 | K | A | -1.3162 | |
| 379 | H | A | -1.8972 | |
| 380 | K | A | -2.1401 | |
| 381 | I | A | 0.0000 | |
| 382 | E | A | -1.3736 | |
| 383 | P | A | -1.0660 | |
| 384 | I | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | K | A | -1.4608 | |
| 387 | A | A | 0.0000 | |
| 388 | R | A | 0.0000 | |
| 389 | K | A | -1.8625 | |
| 390 | Q | A | -1.4066 | |
| 391 | Y | A | -0.9241 | |
| 392 | A | A | 0.0000 | |
| 393 | Y | A | -1.0067 | |
| 394 | G | A | -0.8506 | |
| 395 | A | A | -0.7041 | |
| 396 | Q | A | -1.1788 | |
| 397 | H | A | -1.2690 | |
| 398 | D | A | -1.7377 | |
| 399 | Y | A | -1.4468 | |
| 400 | F | A | -1.7471 | |
| 401 | D | A | -2.5177 | |
| 402 | H | A | -2.0634 | |
| 403 | H | A | -2.0754 | |
| 404 | D | A | -1.5730 | |
| 405 | I | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | W | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | R | A | 0.0000 | |
| 411 | E | A | -1.0264 | |
| 412 | G | A | -1.0728 | |
| 413 | D | A | -1.1686 | |
| 414 | S | A | -0.9344 | |
| 415 | S | A | -0.4847 | |
| 416 | V | A | -0.2857 | |
| 417 | A | A | -0.5590 | |
| 418 | N | A | -1.4455 | |
| 419 | S | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | D | A | 0.0000 | |
| 428 | G | A | -0.9710 | |
| 429 | P | A | -0.9386 | |
| 430 | G | A | -1.1493 | |
| 431 | G | A | -0.7354 | |
| 432 | A | A | -1.2326 | |
| 433 | K | A | -1.9117 | |
| 434 | R | A | -2.6375 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | -1.2717 | |
| 437 | V | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | R | A | -3.2296 | |
| 440 | Q | A | -2.5944 | |
| 441 | N | A | 0.0000 | |
| 442 | A | A | -1.8455 | |
| 443 | G | A | -1.1811 | |
| 444 | E | A | -0.9239 | |
| 445 | T | A | -0.3674 | |
| 446 | W | A | 0.0000 | |
| 447 | H | A | -1.0149 | |
| 448 | D | A | 0.0000 | |
| 449 | I | A | -0.3177 | |
| 450 | T | A | -0.8433 | |
| 451 | G | A | -1.1473 | |
| 452 | N | A | -1.4803 | |
| 453 | R | A | -1.5628 | |
| 454 | S | A | -1.4398 | |
| 455 | E | A | -1.9367 | |
| 456 | P | A | -1.1766 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.8485 | |
| 459 | I | A | 0.0000 | |
| 460 | N | A | -1.7118 | |
| 461 | S | A | -2.0213 | |
| 462 | E | A | -2.9197 | |
| 463 | G | A | 0.0000 | |
| 464 | W | A | -1.5069 | |
| 465 | G | A | 0.0000 | |
| 466 | E | A | -2.5082 | |
| 467 | F | A | 0.0000 | |
| 468 | H | A | -1.6284 | |
| 469 | V | A | 0.0000 | |
| 470 | N | A | -1.3377 | |
| 471 | G | A | -1.2289 | |
| 472 | G | A | -0.7513 | |
| 473 | S | A | -0.6432 | |
| 474 | V | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | Y | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | Q | A | -1.3415 | |
| 480 | R | A | -2.2238 |
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