| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFFSVIDNDKVTVPKVSGNQYRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGIGTTGHPLFNKLGDTENPNKYQQGSKDNRQNTSMDPKQTQLFIVGCEPPTGEHWDVAKPCGALEKGDCPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFFTRNGSVGEPIPNSVSPSDFYYAPDSTQDQKTLAPSVYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQTNTPNPDTYDSTNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:09)
[INFO] Main: Simulation completed successfully. (00:00:13)
|
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 | Y | A | 1.9458 | |
| 2 | L | A | 1.9646 | |
| 3 | P | A | 0.8333 | |
| 4 | P | A | 0.3854 | |
| 5 | T | A | 0.1375 | |
| 6 | T | A | 0.1350 | |
| 7 | P | A | 0.2054 | |
| 8 | V | A | 1.2074 | |
| 9 | A | A | 0.0836 | |
| 10 | K | A | -1.0402 | |
| 11 | V | A | -0.1997 | |
| 12 | Q | A | -1.4221 | |
| 13 | S | A | -1.5532 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3918 | |
| 16 | E | A | -2.4276 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4627 | |
| 20 | P | A | 0.1104 | |
| 21 | T | A | 0.1114 | |
| 22 | S | A | -0.1703 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1010 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2943 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8892 | |
| 31 | R | A | -2.6619 | |
| 32 | L | A | -0.7779 | |
| 33 | L | A | 1.1625 | |
| 34 | T | A | 1.3506 | |
| 35 | V | A | 1.7971 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9803 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 1.0467 | |
| 40 | F | A | 1.8773 | |
| 41 | S | A | 1.4512 | |
| 42 | V | A | 1.5273 | |
| 43 | I | A | 0.9406 | |
| 44 | D | A | -1.9279 | |
| 45 | N | A | -2.7674 | |
| 46 | D | A | -2.7240 | |
| 47 | K | A | -1.9504 | |
| 48 | V | A | 0.8004 | |
| 49 | T | A | 0.2799 | |
| 50 | V | A | 1.1582 | |
| 51 | P | A | 1.2446 | |
| 52 | K | A | 0.7433 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.2308 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4254 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2793 | |
| 70 | K | A | -1.7971 | |
| 71 | F | A | -0.6489 | |
| 72 | A | A | -0.5803 | |
| 73 | L | A | -0.8831 | |
| 74 | P | A | -1.2771 | |
| 75 | Q | A | -2.4899 | |
| 76 | K | A | -3.1002 | |
| 77 | D | A | -2.9832 | |
| 78 | F | A | -1.6555 | |
| 79 | Y | A | -1.8775 | |
| 80 | D | A | -2.6753 | |
| 81 | P | A | -2.3340 | |
| 82 | E | A | -3.0415 | |
| 83 | K | A | -3.4016 | |
| 84 | E | A | -2.4622 | |
| 85 | R | A | -1.2915 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6231 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9570 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3451 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6754 | |
| 99 | G | A | -0.5252 | |
| 100 | P | A | -0.0959 | |
| 101 | L | A | 0.6706 | |
| 102 | G | A | 1.2170 | |
| 103 | I | A | 2.2686 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.2803 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.1816 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.6748 | |
| 110 | L | A | -0.7174 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7483 | |
| 113 | K | A | -1.2036 | |
| 114 | L | A | -1.4397 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.3285 | |
| 117 | T | A | -1.2311 | |
| 118 | E | A | -1.6779 | |
| 119 | N | A | -2.4068 | |
| 120 | P | A | -2.4629 | |
| 121 | N | A | -2.6878 | |
| 122 | K | A | -2.8096 | |
| 123 | Y | A | -1.7277 | |
| 124 | Q | A | -1.9490 | |
| 125 | Q | A | -1.8563 | |
| 126 | G | A | -2.0733 | |
| 127 | S | A | -2.2735 | |
| 128 | K | A | -2.9976 | |
| 129 | D | A | -3.2408 | |
| 130 | N | A | -2.4690 | |
| 131 | R | A | -2.3316 | |
| 132 | Q | A | -2.1395 | |
| 133 | N | A | -1.8184 | |
| 134 | T | A | -1.0769 | |
| 135 | S | A | -0.6327 | |
| 136 | M | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5458 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2097 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0866 | |
| 157 | D | A | 0.2080 | |
| 158 | V | A | 0.8034 | |
| 159 | A | A | 0.1970 | |
| 160 | K | A | -1.3618 | |
| 161 | P | A | -0.2110 | |
| 162 | C | A | 0.1896 | |
| 163 | G | A | -0.2869 | |
| 164 | A | A | -0.2887 | |
| 165 | L | A | -0.6294 | |
| 166 | E | A | -2.6393 | |
| 167 | K | A | -2.8948 | |
| 168 | G | A | -2.3558 | |
| 169 | D | A | -2.4007 | |
| 170 | C | A | -0.4235 | |
| 171 | P | A | -0.2262 | |
| 172 | P | A | 0.7048 | |
| 173 | I | A | 1.9503 | |
| 174 | Q | A | 0.8092 | |
| 175 | L | A | 1.4447 | |
| 176 | V | A | 0.8151 | |
| 177 | N | A | -0.3262 | |
| 178 | S | A | 0.0103 | |
| 179 | V | A | 0.4267 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3763 | |
| 182 | D | A | 0.0563 | |
| 183 | G | A | -0.1685 | |
| 184 | D | A | -0.5605 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1494 | |
| 190 | F | A | 0.0482 | |
| 191 | G | A | -0.1175 | |
| 192 | N | A | -0.2942 | |
| 193 | M | A | -0.2235 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.5947 | |
| 197 | E | A | -2.9684 | |
| 198 | L | A | -1.4084 | |
| 199 | Q | A | -2.6483 | |
| 200 | Q | A | -3.4640 | |
| 201 | D | A | -3.6581 | |
| 202 | R | A | -3.4073 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5629 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4336 | |
| 211 | S | A | -1.6182 | |
| 212 | T | A | -1.5315 | |
| 213 | R | A | -2.2353 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1690 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3855 | |
| 220 | L | A | 0.6334 | |
| 221 | K | A | -1.0588 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.7922 | |
| 224 | N | A | -1.5478 | |
| 225 | E | A | -1.1877 | |
| 226 | A | A | -0.5876 | |
| 227 | Y | A | -0.3461 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6641 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0821 | |
| 234 | F | A | 0.2742 | |
| 235 | G | A | -0.7815 | |
| 236 | R | A | -2.5435 | |
| 237 | R | A | -2.7411 | |
| 238 | E | A | -2.0480 | |
| 239 | Q | A | -0.1406 | |
| 240 | V | A | 1.4879 | |
| 241 | Y | A | 1.2202 | |
| 242 | A | A | 0.3136 | |
| 243 | R | A | -0.6604 | |
| 244 | H | A | -0.8163 | |
| 245 | F | A | 0.0419 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.0043 | |
| 249 | N | A | -1.1880 | |
| 250 | G | A | -1.3214 | |
| 251 | S | A | -0.5965 | |
| 252 | V | A | -0.1678 | |
| 253 | G | A | -1.2648 | |
| 254 | E | A | -1.8184 | |
| 255 | P | A | -0.9083 | |
| 256 | I | A | 0.0872 | |
| 257 | P | A | -0.4665 | |
| 258 | N | A | -0.6248 | |
| 259 | S | A | -0.2665 | |
| 260 | V | A | 0.9288 | |
| 261 | S | A | 0.1066 | |
| 262 | P | A | 0.0794 | |
| 263 | S | A | 0.1354 | |
| 264 | D | A | -0.5606 | |
| 265 | F | A | 1.4661 | |
| 266 | Y | A | 1.1629 | |
| 267 | Y | A | 1.0892 | |
| 268 | A | A | -0.0842 | |
| 269 | P | A | -1.6647 | |
| 270 | D | A | -3.0095 | |
| 271 | S | A | -2.5104 | |
| 272 | T | A | -2.1473 | |
| 273 | Q | A | -3.3014 | |
| 274 | D | A | -3.6573 | |
| 275 | Q | A | -2.8491 | |
| 276 | K | A | -3.2573 | |
| 277 | T | A | -1.6011 | |
| 278 | L | A | -0.0389 | |
| 279 | A | A | -0.3580 | |
| 280 | P | A | 0.4204 | |
| 281 | S | A | 0.9628 | |
| 282 | V | A | 1.5265 | |
| 283 | Y | A | 1.8577 | |
| 284 | F | A | 1.2191 | |
| 285 | G | A | 0.2494 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.2984 | |
| 291 | L | A | 2.0427 | |
| 292 | V | A | 1.1797 | |
| 293 | S | A | -0.1686 | |
| 294 | S | A | -0.9572 | |
| 295 | D | A | -1.8426 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0679 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6414 | |
| 301 | R | A | -1.8464 | |
| 302 | P | A | -0.9293 | |
| 303 | F | A | -0.1400 | |
| 304 | W | A | -0.5364 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0763 | |
| 307 | R | A | -2.8268 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3825 | |
| 310 | G | A | -1.2138 | |
| 311 | N | A | -1.2642 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.8057 | |
| 319 | N | A | -0.8639 | |
| 320 | E | A | -1.0506 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.3785 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.9053 | |
| 333 | N | A | 1.0469 | |
| 334 | F | A | 1.8649 | |
| 335 | T | A | 0.9718 | |
| 336 | I | A | 0.4423 | |
| 337 | S | A | -1.2444 | |
| 338 | Q | A | -2.4365 | |
| 339 | Q | A | -2.8013 | |
| 340 | T | A | -1.8983 | |
| 341 | N | A | -1.8836 | |
| 342 | T | A | -1.3240 | |
| 343 | P | A | -1.5587 | |
| 344 | N | A | -2.1984 | |
| 345 | P | A | -1.8679 | |
| 346 | D | A | -2.0406 | |
| 347 | T | A | -0.7781 | |
| 348 | Y | A | 0.1939 | |
| 349 | D | A | -0.6801 | |
| 350 | S | A | -0.8722 | |
| 351 | T | A | -0.8478 | |
| 352 | N | A | -1.5033 | |
| 353 | F | A | -1.8651 | |
| 354 | K | A | -2.6722 | |
| 355 | N | A | -1.9075 | |
| 356 | Y | A | 0.0474 | |
| 357 | L | A | 0.7960 | |
| 358 | R | A | 1.0714 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4002 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0647 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0109 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6777 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.3268 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3329 | |
| 376 | L | A | -1.7386 | |
| 377 | D | A | -2.0358 | |
| 378 | P | A | -1.0573 | |
| 379 | G | A | -1.0190 | |
| 380 | V | A | -0.9438 | |
| 381 | L | A | -0.5334 | |
| 382 | A | A | -0.6501 | |
| 383 | H | A | -0.8070 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3788 | |
| 386 | T | A | -0.5412 | |
| 387 | M | A | -0.2883 | |
| 388 | N | A | -0.8507 | |
| 389 | P | A | -1.2277 | |
| 390 | T | A | -1.4313 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4375 | |
| 393 | E | A | -2.7899 | |
| 394 | N | A | -2.5736 | |
| 395 | W | A | -1.3979 | |
| 396 | N | A | -1.3650 | |
| 397 | L | A | -0.2517 | |
| 398 | G | A | 0.4979 | |
| 399 | F | A | 2.4008 | |
| 400 | V | A | 1.8009 | |
| 401 | P | A | 0.0419 | |
| 402 | P | A | -1.7661 | |
| 403 | K | A | -3.4093 | |
| 404 | E | A | -3.8126 | |
| 405 | R | A | -3.8144 | |
| 406 | E | A | -3.7338 | |
| 407 | D | A | -2.8566 | |
| 408 | P | A | -1.7536 | |
| 409 | Y | A | -0.9794 | |
| 410 | K | A | -2.1017 | |
| 411 | G | A | -0.6393 | |
| 412 | L | A | 0.6718 | |
| 413 | I | A | 1.5612 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4743 | |
| 416 | E | A | -1.8592 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -3.0138 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0900 | |
| 421 | E | A | -2.8159 | |
| 422 | R | A | -2.6896 | |
| 423 | F | A | -1.3140 | |
| 424 | S | A | -1.4895 | |
| 425 | Q | A | -1.9357 | |
| 426 | D | A | -2.9030 | |
| 427 | L | A | -1.9863 | |
| 428 | D | A | -2.7816 | |
| 429 | Q | A | -2.6091 | |
| 430 | F | A | -1.3876 | |
| 431 | A | A | -0.8621 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5194 | |
| 435 | K | A | -0.6730 | |
| 436 | F | A | 0.1938 | |
| 437 | L | A | 1.0553 | |
| 438 | Y | A | 0.8506 | |
| 439 | Q | A | -0.2561 |
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