| Chain sequence(s) |
A: MSPSRSEPLIDNLVDRSNLKIVALASPADGHTFPLLRIVEELVLRGYDVTLLASEDYRARTAAVGAYFVPVPPYDDIQRITTEISVIADPGERMNAAMIELFIKPTAGRMATLYAALEDVKREKPLHKVVLLTESFFLGDHPLFLGAPLPKGFTRRPRAINIHACSYGLSSVDSAPFGLTIIPDGTAESREKYRKLHSDMMTGSLAESVALQKKVLTELGATNMDEVEGRNPLDVIATTADVTLQMCPPSLEYRRSDIHPKVRFIGALPPRAPQKTFSAPPFWNTVINGSKRVVVVSQGTVAVRYDQLLVPAMHALADRDDIVVVAILGQKGAKLPGEVVIPSNAYTVDYLSYDAMLPYASVFVLNAGYGGFMHGIVNGVPMVLAGGSEDKPEVANRGEFAGVGINLRTGTPSQRQIRQGVDEILSNPKYKRRVKEIQLENEKMKAMDSVEKEILKWAAMD
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] (00:00:00)
[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] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:19)
[INFO] Main: Simulation completed successfully. (00:06:21)
|
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 | 0.8617 | |
| 2 | S | A | -0.1340 | |
| 3 | P | A | -0.6981 | |
| 4 | S | A | -1.4416 | |
| 5 | R | A | -2.6622 | |
| 6 | S | A | -1.9151 | |
| 7 | E | A | -2.0961 | |
| 8 | P | A | -0.8412 | |
| 9 | L | A | 0.3689 | |
| 10 | I | A | -0.2020 | |
| 11 | D | A | -1.7328 | |
| 12 | N | A | -1.2604 | |
| 13 | L | A | 0.3094 | |
| 14 | V | A | -0.9593 | |
| 15 | D | A | -2.3804 | |
| 16 | R | A | -2.0754 | |
| 17 | S | A | -1.5260 | |
| 18 | N | A | -1.4011 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | 0.0000 | |
| 27 | P | A | -0.7572 | |
| 28 | A | A | -0.4984 | |
| 29 | D | A | -0.6540 | |
| 30 | G | A | -0.4892 | |
| 31 | H | A | -0.4028 | |
| 32 | T | A | 0.0000 | |
| 33 | F | A | 0.3726 | |
| 34 | P | A | -0.0244 | |
| 35 | L | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | R | A | -0.7513 | |
| 38 | I | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | E | A | -1.0070 | |
| 41 | E | A | -0.6710 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0609 | |
| 44 | L | A | 0.8194 | |
| 45 | R | A | -0.2112 | |
| 46 | G | A | -0.4403 | |
| 47 | Y | A | 0.0000 | |
| 48 | D | A | -0.5527 | |
| 49 | V | A | 0.0000 | |
| 50 | T | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | S | A | -1.5443 | |
| 55 | E | A | -2.4465 | |
| 56 | D | A | -2.9859 | |
| 57 | Y | A | 0.0000 | |
| 58 | R | A | -2.1073 | |
| 59 | A | A | -1.5755 | |
| 60 | R | A | -2.0405 | |
| 61 | T | A | 0.0000 | |
| 62 | A | A | -0.3607 | |
| 63 | A | A | -0.5175 | |
| 64 | V | A | -0.0703 | |
| 65 | G | A | -0.1592 | |
| 66 | A | A | 0.0000 | |
| 67 | Y | A | 1.0878 | |
| 68 | F | A | 0.0000 | |
| 69 | V | A | 0.0943 | |
| 70 | P | A | -0.9052 | |
| 71 | V | A | 0.0000 | |
| 72 | P | A | -0.7084 | |
| 73 | P | A | -0.9165 | |
| 74 | Y | A | -1.2240 | |
| 75 | D | A | -2.2573 | |
| 76 | D | A | -1.9969 | |
| 77 | I | A | -1.3822 | |
| 78 | Q | A | -2.3799 | |
| 79 | R | A | -3.1325 | |
| 80 | I | A | 0.0000 | |
| 81 | T | A | -1.5750 | |
| 82 | T | A | -1.4371 | |
| 83 | E | A | -1.9950 | |
| 84 | I | A | 0.0000 | |
| 85 | S | A | -0.4376 | |
| 86 | V | A | 1.0709 | |
| 87 | I | A | -0.0942 | |
| 88 | A | A | -0.3069 | |
| 89 | D | A | -1.5081 | |
| 90 | P | A | -1.3877 | |
| 91 | G | A | 0.0000 | |
| 92 | E | A | -2.4161 | |
| 93 | R | A | -1.7005 | |
| 94 | M | A | -1.1640 | |
| 95 | N | A | 0.0000 | |
| 96 | A | A | -1.2626 | |
| 97 | A | A | -1.0125 | |
| 98 | M | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | E | A | -1.2816 | |
| 101 | L | A | -0.4817 | |
| 102 | F | A | -0.5015 | |
| 103 | I | A | 0.0000 | |
| 104 | K | A | -1.8826 | |
| 105 | P | A | -1.2229 | |
| 106 | T | A | 0.0000 | |
| 107 | A | A | -0.5522 | |
| 108 | G | A | -0.5143 | |
| 109 | R | A | 0.0000 | |
| 110 | M | A | 0.0000 | |
| 111 | A | A | 0.0606 | |
| 112 | T | A | 0.0272 | |
| 113 | L | A | 0.0000 | |
| 114 | Y | A | -0.3032 | |
| 115 | A | A | -0.6310 | |
| 116 | A | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | E | A | -2.5104 | |
| 119 | D | A | -3.3393 | |
| 120 | V | A | 0.0000 | |
| 121 | K | A | -2.8330 | |
| 122 | R | A | -3.8669 | |
| 123 | E | A | -3.3890 | |
| 124 | K | A | -2.1501 | |
| 125 | P | A | -1.3664 | |
| 126 | L | A | 0.4559 | |
| 127 | H | A | -0.7210 | |
| 128 | K | A | -1.3713 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | H | A | 0.0000 | |
| 142 | P | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | -0.8090 | |
| 147 | A | A | 0.0000 | |
| 148 | P | A | -0.4784 | |
| 149 | L | A | -0.5105 | |
| 150 | P | A | 0.0000 | |
| 151 | K | A | -2.3000 | |
| 152 | G | A | -2.0819 | |
| 153 | F | A | -1.2427 | |
| 154 | T | A | -1.1901 | |
| 155 | R | A | -2.3236 | |
| 156 | R | A | -1.5984 | |
| 157 | P | A | 0.0000 | |
| 158 | R | A | -1.1627 | |
| 159 | A | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | A | A | 0.0069 | |
| 165 | C | A | -0.1830 | |
| 166 | S | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | S | A | -0.3527 | |
| 171 | S | A | 0.0000 | |
| 172 | V | A | -1.2530 | |
| 173 | D | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | F | A | 0.2093 | |
| 178 | G | A | -0.6319 | |
| 179 | L | A | 0.5212 | |
| 180 | T | A | 0.2814 | |
| 181 | I | A | 0.9587 | |
| 182 | I | A | 0.7270 | |
| 183 | P | A | 0.0000 | |
| 184 | D | A | -2.1556 | |
| 185 | G | A | -1.9036 | |
| 186 | T | A | -1.7473 | |
| 187 | A | A | -1.9285 | |
| 188 | E | A | -3.1834 | |
| 189 | S | A | -3.1334 | |
| 190 | R | A | -3.4110 | |
| 191 | E | A | -4.2766 | |
| 192 | K | A | -3.8433 | |
| 193 | Y | A | 0.0000 | |
| 194 | R | A | -3.9937 | |
| 195 | K | A | -3.9539 | |
| 196 | L | A | -2.4623 | |
| 197 | H | A | -1.8794 | |
| 198 | S | A | -2.2205 | |
| 199 | D | A | -2.6337 | |
| 200 | M | A | 0.0000 | |
| 201 | M | A | -1.1069 | |
| 202 | T | A | -1.0860 | |
| 203 | G | A | -1.4840 | |
| 204 | S | A | -1.6812 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | -1.2926 | |
| 207 | E | A | -1.9612 | |
| 208 | S | A | 0.0000 | |
| 209 | V | A | -1.0409 | |
| 210 | A | A | -1.1871 | |
| 211 | L | A | -1.0949 | |
| 212 | Q | A | 0.0000 | |
| 213 | K | A | -1.9158 | |
| 214 | K | A | -1.8847 | |
| 215 | V | A | -1.4612 | |
| 216 | L | A | 0.0000 | |
| 217 | T | A | -1.6090 | |
| 218 | E | A | -2.1405 | |
| 219 | L | A | -0.9053 | |
| 220 | G | A | -0.8301 | |
| 221 | A | A | 0.0000 | |
| 222 | T | A | -1.3102 | |
| 223 | N | A | -2.2481 | |
| 224 | M | A | -2.2558 | |
| 225 | D | A | -3.0406 | |
| 226 | E | A | -2.2459 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | -3.0261 | |
| 229 | G | A | -1.8182 | |
| 230 | R | A | -1.5128 | |
| 231 | N | A | 0.0000 | |
| 232 | P | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | D | A | -0.3771 | |
| 235 | V | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | D | A | -0.4025 | |
| 242 | V | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | C | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | P | A | -0.7361 | |
| 250 | S | A | -0.7321 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | R | A | -2.2511 | |
| 255 | R | A | -1.3185 | |
| 256 | S | A | -0.8915 | |
| 257 | D | A | -0.9342 | |
| 258 | I | A | -0.3867 | |
| 259 | H | A | -0.6001 | |
| 260 | P | A | -0.7355 | |
| 261 | K | A | -0.8956 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | -1.2879 | |
| 264 | F | A | -0.3633 | |
| 265 | I | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | P | A | -1.1770 | |
| 270 | P | A | -0.7012 | |
| 271 | R | A | -1.2028 | |
| 272 | A | A | -1.0082 | |
| 273 | P | A | -1.2264 | |
| 274 | Q | A | -1.8643 | |
| 275 | K | A | -2.0973 | |
| 276 | T | A | -1.0352 | |
| 277 | F | A | -0.5022 | |
| 278 | S | A | -0.3668 | |
| 279 | A | A | -0.1929 | |
| 280 | P | A | -0.1469 | |
| 281 | P | A | -0.4586 | |
| 282 | F | A | 0.0000 | |
| 283 | W | A | 0.0000 | |
| 284 | N | A | -1.6136 | |
| 285 | T | A | -1.1935 | |
| 286 | V | A | 0.0000 | |
| 287 | I | A | -0.7250 | |
| 288 | N | A | -1.6668 | |
| 289 | G | A | -1.6633 | |
| 290 | S | A | -1.4992 | |
| 291 | K | A | -2.5941 | |
| 292 | R | A | -2.0919 | |
| 293 | V | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | Q | A | 0.0000 | |
| 299 | G | A | 0.4600 | |
| 300 | T | A | 0.5948 | |
| 301 | V | A | 1.6716 | |
| 302 | A | A | 0.9741 | |
| 303 | V | A | 0.7810 | |
| 304 | R | A | -1.4120 | |
| 305 | Y | A | 0.0000 | |
| 306 | D | A | -2.2296 | |
| 307 | Q | A | -1.5939 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | V | A | -0.4026 | |
| 311 | P | A | -1.1781 | |
| 312 | A | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | H | A | -0.5557 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | A | A | -1.2412 | |
| 318 | D | A | -2.5792 | |
| 319 | R | A | -2.5900 | |
| 320 | D | A | -3.1470 | |
| 321 | D | A | -2.7159 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | Q | A | -1.2451 | |
| 331 | K | A | -2.2962 | |
| 332 | G | A | -1.8155 | |
| 333 | A | A | -1.4893 | |
| 334 | K | A | -2.0130 | |
| 335 | L | A | -0.8938 | |
| 336 | P | A | -1.1647 | |
| 337 | G | A | -1.2450 | |
| 338 | E | A | -1.3422 | |
| 339 | V | A | 0.2210 | |
| 340 | V | A | 1.8453 | |
| 341 | I | A | 1.8112 | |
| 342 | P | A | 0.6007 | |
| 343 | S | A | -0.2165 | |
| 344 | N | A | -0.9230 | |
| 345 | A | A | 0.0000 | |
| 346 | Y | A | 0.5775 | |
| 347 | T | A | 0.3029 | |
| 348 | V | A | -0.2529 | |
| 349 | D | A | -1.1399 | |
| 350 | Y | A | -0.0864 | |
| 351 | L | A | 0.0000 | |
| 352 | S | A | 0.0614 | |
| 353 | Y | A | 0.0636 | |
| 354 | D | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | P | A | 0.1967 | |
| 359 | Y | A | 0.4834 | |
| 360 | A | A | 0.0000 | |
| 361 | S | A | -0.4432 | |
| 362 | V | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | N | A | -0.4400 | |
| 367 | A | A | 0.0000 | |
| 368 | G | A | -0.7095 | |
| 369 | Y | A | -0.4450 | |
| 370 | G | A | -0.4585 | |
| 371 | G | A | -0.3229 | |
| 372 | F | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | H | A | -0.3388 | |
| 375 | G | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | N | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | M | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | G | A | -1.6154 | |
| 388 | S | A | -1.7303 | |
| 389 | E | A | -2.6841 | |
| 390 | D | A | -2.1176 | |
| 391 | K | A | -1.6115 | |
| 392 | P | A | -1.3557 | |
| 393 | E | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | N | A | 0.0000 | |
| 397 | R | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | E | A | -0.2142 | |
| 400 | F | A | 0.0827 | |
| 401 | A | A | 0.0000 | |
| 402 | G | A | -0.6971 | |
| 403 | V | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | I | A | -0.3075 | |
| 406 | N | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | R | A | -2.0107 | |
| 409 | T | A | -1.3349 | |
| 410 | G | A | -0.9633 | |
| 411 | T | A | -1.0830 | |
| 412 | P | A | 0.0000 | |
| 413 | S | A | -1.4502 | |
| 414 | Q | A | -2.2353 | |
| 415 | R | A | -2.9814 | |
| 416 | Q | A | -2.4786 | |
| 417 | I | A | 0.0000 | |
| 418 | R | A | -2.2783 | |
| 419 | Q | A | -2.3994 | |
| 420 | G | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | D | A | -1.6800 | |
| 423 | E | A | -1.5604 | |
| 424 | I | A | 0.0000 | |
| 425 | L | A | -1.0928 | |
| 426 | S | A | -0.9918 | |
| 427 | N | A | -1.6850 | |
| 428 | P | A | -2.0211 | |
| 429 | K | A | -2.7927 | |
| 430 | Y | A | -2.2843 | |
| 431 | K | A | -2.7864 | |
| 432 | R | A | -3.7652 | |
| 433 | R | A | -2.8906 | |
| 434 | V | A | 0.0000 | |
| 435 | K | A | -2.7462 | |
| 436 | E | A | -2.9082 | |
| 437 | I | A | 0.0000 | |
| 438 | Q | A | -1.8388 | |
| 439 | L | A | -1.3931 | |
| 440 | E | A | -2.4507 | |
| 441 | N | A | 0.0000 | |
| 442 | E | A | -3.0779 | |
| 443 | K | A | -3.0660 | |
| 444 | M | A | -2.2720 | |
| 445 | K | A | -3.2328 | |
| 446 | A | A | 0.0000 | |
| 447 | M | A | 0.0000 | |
| 448 | D | A | -2.4927 | |
| 449 | S | A | -1.7386 | |
| 450 | V | A | 0.0000 | |
| 451 | E | A | -1.6669 | |
| 452 | K | A | -1.6571 | |
| 453 | E | A | -1.0383 | |
| 454 | I | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | K | A | -0.8197 | |
| 457 | W | A | -0.5627 | |
| 458 | A | A | 0.0000 | |
| 459 | A | A | -0.2263 | |
| 460 | M | A | -0.2641 | |
| 461 | D | A | -2.0465 |
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