| Chain sequence(s) |
A: GPLPLDPSPELRHTSEYVTPTDLLYIAETDLITETGNPTKDIVVNGKVVTPKVSATDYKVFKLTLPDPNKLPLPSEDFINPETEILIWQLKAFKIHRYGPLGKGSYGHANYNKLGNVDNPTAPQQPGADMTQSLSWYPKRLQEYIIGDLPPIGKYTTLASPAPNLPPGAIPPLETKTTIIEHGDKADIGFGAKDYKKLLPTKNDVPDIIKDTVTKVFDYELMKNEPLGNRMFTYDKKESSKDVKKYVRNGPELTPLPSAPPPSPLYTPPPPSSPDAVLPPTDYFTLPDRGEITEDDLIFNKPKYLEKTSGLNQGVLWGNQLYVTIVDNTRDTITTNITQTSTPTNNVYDPSNYTTSKTYSYEYRLSLILQLCKIPLTPETLQYIERVDPRILVDANLPDIPPVERPDPYAGKKFIELDLTNKLSTNLEEYELGREYLNK
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] (00:00:00)
[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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
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 | -0.2080 | |
| 2 | P | A | 0.4089 | |
| 3 | L | A | 1.2906 | |
| 4 | P | A | 0.5355 | |
| 5 | L | A | 0.8351 | |
| 6 | D | A | -1.0843 | |
| 7 | P | A | -1.1762 | |
| 8 | S | A | -1.2161 | |
| 9 | P | A | -1.7805 | |
| 10 | E | A | -1.8396 | |
| 11 | L | A | -0.7979 | |
| 12 | R | A | -1.2866 | |
| 13 | H | A | -1.0996 | |
| 14 | T | A | 0.0000 | |
| 15 | S | A | -1.2626 | |
| 16 | E | A | -2.0497 | |
| 17 | Y | A | -1.2331 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.6486 | |
| 20 | P | A | -0.7552 | |
| 21 | T | A | -0.9286 | |
| 22 | D | A | -1.6608 | |
| 23 | L | A | -0.5178 | |
| 24 | L | A | -0.2446 | |
| 25 | Y | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.7904 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.5126 | |
| 31 | L | A | -0.1487 | |
| 32 | I | A | -0.1973 | |
| 33 | T | A | -0.4862 | |
| 34 | E | A | -0.7209 | |
| 35 | T | A | -0.5446 | |
| 36 | G | A | 0.0000 | |
| 37 | N | A | -1.3830 | |
| 38 | P | A | 0.0000 | |
| 39 | T | A | -1.5451 | |
| 40 | K | A | -2.1069 | |
| 41 | D | A | -0.8723 | |
| 42 | I | A | 1.2595 | |
| 43 | V | A | 2.2629 | |
| 44 | V | A | 1.7704 | |
| 45 | N | A | -0.4741 | |
| 46 | G | A | -0.3035 | |
| 47 | K | A | -0.0701 | |
| 48 | V | A | 1.9961 | |
| 49 | V | A | 2.6083 | |
| 50 | T | A | 1.0896 | |
| 51 | P | A | -0.1682 | |
| 52 | K | A | -1.2155 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | K | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | T | A | -1.2045 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3196 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.8507 | |
| 70 | K | A | -2.0530 | |
| 71 | L | A | -0.9197 | |
| 72 | P | A | -0.7071 | |
| 73 | L | A | -0.6147 | |
| 74 | P | A | -0.6739 | |
| 75 | S | A | -1.5125 | |
| 76 | E | A | -2.7469 | |
| 77 | D | A | -2.7320 | |
| 78 | F | A | -1.3315 | |
| 79 | I | A | -1.6329 | |
| 80 | N | A | -2.3584 | |
| 81 | P | A | -2.0017 | |
| 82 | E | A | -2.5967 | |
| 83 | T | A | -1.4974 | |
| 84 | E | A | -1.4460 | |
| 85 | I | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | Q | A | -0.3648 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -0.8721 | |
| 92 | A | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | K | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | H | A | 0.0000 | |
| 97 | R | A | 0.0000 | |
| 98 | Y | A | 0.0270 | |
| 99 | G | A | -0.3315 | |
| 100 | P | A | -0.1830 | |
| 101 | L | A | -0.0574 | |
| 102 | G | A | -0.4321 | |
| 103 | K | A | -0.8098 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.1261 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.5660 | |
| 108 | H | A | -1.1999 | |
| 109 | A | A | -1.0432 | |
| 110 | N | A | -2.0824 | |
| 111 | Y | A | 0.0000 | |
| 112 | N | A | -1.3082 | |
| 113 | K | A | -0.9574 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | N | A | -1.7267 | |
| 117 | V | A | -1.4584 | |
| 118 | D | A | -2.7154 | |
| 119 | N | A | -2.3964 | |
| 120 | P | A | -1.3303 | |
| 121 | T | A | -0.7434 | |
| 122 | A | A | -0.4624 | |
| 123 | P | A | -0.4768 | |
| 124 | Q | A | -0.5838 | |
| 125 | Q | A | -0.4739 | |
| 126 | P | A | -0.6336 | |
| 127 | G | A | -0.9195 | |
| 128 | A | A | -0.9400 | |
| 129 | D | A | -1.9255 | |
| 130 | M | A | -0.9350 | |
| 131 | T | A | -1.3358 | |
| 132 | Q | A | -1.4018 | |
| 133 | S | A | -0.9917 | |
| 134 | L | A | -0.5575 | |
| 135 | S | A | -0.2836 | |
| 136 | W | A | 0.0000 | |
| 137 | Y | A | -0.0499 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | -0.8714 | |
| 140 | R | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | L | A | 0.0833 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | I | A | 0.1828 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -0.4617 | |
| 155 | Y | A | -0.5383 | |
| 156 | T | A | -0.1968 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | 0.1787 | |
| 159 | A | A | 0.2417 | |
| 160 | S | A | -0.1686 | |
| 161 | P | A | -0.5113 | |
| 162 | A | A | -0.1764 | |
| 163 | P | A | -0.6709 | |
| 164 | N | A | -1.1531 | |
| 165 | L | A | 0.0331 | |
| 166 | P | A | -0.2568 | |
| 167 | P | A | -0.3402 | |
| 168 | G | A | 0.1777 | |
| 169 | A | A | 0.8879 | |
| 170 | I | A | 2.3259 | |
| 171 | P | A | 1.1538 | |
| 172 | P | A | 1.1051 | |
| 173 | L | A | 1.4752 | |
| 174 | E | A | 0.1075 | |
| 175 | T | A | -0.4516 | |
| 176 | K | A | -0.8478 | |
| 177 | T | A | -0.3490 | |
| 178 | T | A | -0.1693 | |
| 179 | I | A | -0.1781 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.1682 | |
| 182 | H | A | -1.0486 | |
| 183 | G | A | -0.8714 | |
| 184 | D | A | -0.6070 | |
| 185 | K | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.3618 | |
| 190 | F | A | -0.0763 | |
| 191 | G | A | -0.2096 | |
| 192 | A | A | -0.2490 | |
| 193 | K | A | -0.8488 | |
| 194 | D | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | K | A | -3.2145 | |
| 197 | K | A | -2.7056 | |
| 198 | L | A | -1.1519 | |
| 199 | L | A | -1.4201 | |
| 200 | P | A | -1.5484 | |
| 201 | T | A | -1.1915 | |
| 202 | K | A | -2.4244 | |
| 203 | N | A | -1.6356 | |
| 204 | D | A | -1.0684 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.7484 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | K | A | -2.1251 | |
| 211 | D | A | -2.4744 | |
| 212 | T | A | -1.3859 | |
| 213 | V | A | -0.6986 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.2297 | |
| 217 | F | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | Y | A | -1.0917 | |
| 220 | E | A | -2.2644 | |
| 221 | L | A | -1.0815 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.8561 | |
| 224 | N | A | -2.5301 | |
| 225 | E | A | -1.6479 | |
| 226 | P | A | -0.8844 | |
| 227 | L | A | -0.3546 | |
| 228 | G | A | 0.0000 | |
| 229 | N | A | 0.0000 | |
| 230 | R | A | -0.3666 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | T | A | -0.2140 | |
| 234 | Y | A | 0.1034 | |
| 235 | D | A | -0.7054 | |
| 236 | K | A | -1.4436 | |
| 237 | K | A | -1.8052 | |
| 238 | E | A | -2.0628 | |
| 239 | S | A | -1.7592 | |
| 240 | S | A | -2.0047 | |
| 241 | K | A | -3.0902 | |
| 242 | D | A | -3.1068 | |
| 243 | V | A | -2.3086 | |
| 244 | K | A | -3.2693 | |
| 245 | K | A | -2.5225 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.7490 | |
| 249 | N | A | -1.0830 | |
| 250 | G | A | -0.9028 | |
| 251 | P | A | -0.5740 | |
| 252 | E | A | -0.1997 | |
| 253 | L | A | 1.4773 | |
| 254 | T | A | 0.3454 | |
| 255 | P | A | -0.0268 | |
| 256 | L | A | 0.8439 | |
| 257 | P | A | 0.1309 | |
| 258 | S | A | 0.1188 | |
| 259 | A | A | -0.0959 | |
| 260 | P | A | -0.5144 | |
| 261 | P | A | -0.5299 | |
| 262 | P | A | -0.2576 | |
| 263 | S | A | 0.2393 | |
| 264 | P | A | 0.4489 | |
| 265 | L | A | 1.5511 | |
| 266 | Y | A | 0.8454 | |
| 267 | T | A | 0.1382 | |
| 268 | P | A | 0.0154 | |
| 269 | P | A | -0.3119 | |
| 270 | P | A | -0.5293 | |
| 271 | P | A | -0.4527 | |
| 272 | S | A | -0.4692 | |
| 273 | S | A | -0.4995 | |
| 274 | P | A | -0.5314 | |
| 275 | D | A | -0.6401 | |
| 276 | A | A | 0.1379 | |
| 277 | V | A | 1.2699 | |
| 278 | L | A | 0.6469 | |
| 279 | P | A | -0.1741 | |
| 280 | P | A | 0.0000 | |
| 281 | T | A | -0.4745 | |
| 282 | D | A | -1.2187 | |
| 283 | Y | A | 0.2356 | |
| 284 | F | A | -0.1434 | |
| 285 | T | A | -0.9485 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.7989 | |
| 289 | R | A | 0.0000 | |
| 290 | G | A | -1.9625 | |
| 291 | E | A | -2.2176 | |
| 292 | I | A | -1.4908 | |
| 293 | T | A | -1.9090 | |
| 294 | E | A | -2.7453 | |
| 295 | D | A | -2.9052 | |
| 296 | D | A | -2.2180 | |
| 297 | L | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.0659 | |
| 301 | K | A | -1.3631 | |
| 302 | P | A | -0.9417 | |
| 303 | K | A | -0.7797 | |
| 304 | Y | A | -0.9276 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.6874 | |
| 307 | K | A | -2.6358 | |
| 308 | T | A | -1.2780 | |
| 309 | S | A | -1.0747 | |
| 310 | G | A | -0.9412 | |
| 311 | L | A | -0.3423 | |
| 312 | N | A | 0.0000 | |
| 313 | Q | A | -0.9643 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -1.1314 | |
| 319 | N | A | -0.7457 | |
| 320 | Q | A | -0.7761 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | 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 | 0.0000 | |
| 331 | D | A | 0.0000 | |
| 332 | T | A | -0.2137 | |
| 333 | I | A | -0.3430 | |
| 334 | T | A | -0.3429 | |
| 335 | T | A | -0.3947 | |
| 336 | N | A | -0.0292 | |
| 337 | I | A | 1.2554 | |
| 338 | T | A | 0.2650 | |
| 339 | Q | A | -0.6999 | |
| 340 | T | A | -0.4528 | |
| 341 | S | A | -0.6397 | |
| 342 | T | A | -0.7941 | |
| 343 | P | A | -0.4703 | |
| 344 | T | A | -0.5952 | |
| 345 | N | A | -1.1854 | |
| 346 | N | A | -0.8654 | |
| 347 | V | A | 1.0995 | |
| 348 | Y | A | 1.1853 | |
| 349 | D | A | -0.1470 | |
| 350 | P | A | -0.3724 | |
| 351 | S | A | -0.5842 | |
| 352 | N | A | -0.4349 | |
| 353 | Y | A | 0.0190 | |
| 354 | T | A | 0.1527 | |
| 355 | T | A | 0.0634 | |
| 356 | S | A | -0.5712 | |
| 357 | K | A | -1.3224 | |
| 358 | T | A | -0.8951 | |
| 359 | Y | A | 0.0000 | |
| 360 | S | A | -0.4752 | |
| 361 | Y | A | 0.0000 | |
| 362 | E | A | -0.5826 | |
| 363 | Y | A | 0.0000 | |
| 364 | R | A | -0.8004 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | -0.5030 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.6108 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.7701 | |
| 376 | L | A | -0.8518 | |
| 377 | T | A | -0.8350 | |
| 378 | P | A | -1.3384 | |
| 379 | E | A | -2.3909 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | -1.5639 | |
| 382 | Q | A | -2.7824 | |
| 383 | Y | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | E | A | -3.2495 | |
| 386 | R | A | -2.9142 | |
| 387 | V | A | -1.6046 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -1.8395 | |
| 390 | R | A | -1.6358 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | V | A | -1.3651 | |
| 394 | D | A | -2.1378 | |
| 395 | A | A | -1.4835 | |
| 396 | N | A | -1.8913 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | -1.6647 | |
| 399 | D | A | -2.1249 | |
| 400 | I | A | -0.5274 | |
| 401 | P | A | -0.5383 | |
| 402 | P | A | -0.8208 | |
| 403 | V | A | -0.0439 | |
| 404 | E | A | -2.0629 | |
| 405 | R | A | -2.3781 | |
| 406 | P | A | -1.7291 | |
| 407 | D | A | -2.0963 | |
| 408 | P | A | -1.2728 | |
| 409 | Y | A | 0.0000 | |
| 410 | A | A | -1.1592 | |
| 411 | G | A | -1.4065 | |
| 412 | K | A | -1.9330 | |
| 413 | K | A | -2.4507 | |
| 414 | F | A | -1.3933 | |
| 415 | I | A | -1.0807 | |
| 416 | E | A | -2.1714 | |
| 417 | L | A | -1.7078 | |
| 418 | D | A | -2.4453 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.3177 | |
| 421 | N | A | -1.7542 | |
| 422 | K | A | -1.5599 | |
| 423 | L | A | -0.4893 | |
| 424 | S | A | -0.6622 | |
| 425 | T | A | -0.7155 | |
| 426 | N | A | -1.8706 | |
| 427 | L | A | 0.0000 | |
| 428 | E | A | -3.3421 | |
| 429 | E | A | -3.2888 | |
| 430 | Y | A | -2.3026 | |
| 431 | E | A | -2.2511 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.9375 | |
| 435 | E | A | -2.0586 | |
| 436 | Y | A | -1.1592 | |
| 437 | L | A | -0.6369 | |
| 438 | N | A | -1.8938 | |
| 439 | K | A | -2.0782 |
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