| Chain sequence(s) |
A: MSVTPNAGCVDVVIVGAGISGLGAAYRIIERNPQLTYTILERRARIGGTWDLFRYPGVRSDSSIFTLSFPYEPWTREEGIADGAHIREYLTDMAHKYGIDRHIEFNSYVRAADWDSSTDTWTVTFEQNGVHKHYRSRFVFFGSGYYNYDEGYTPDFGGIEKFGGAVVHPQHWPEDLDYTGKKIVVIGSGATAVTLIPSLTDRAEKVTMLQRSPTYLISASKYSTFAAVVRKALPPKTSHLIVRMYNALLEAVFWFLSRKTPVFVKWLLRRTAIKNLPEGYDIETHFTPRYNPWDQRLCLIPDADLYNAITSGRAEVVTDHIDHFDATGIALKSGGHLDADIIVTATGLQLQALGGAAISLDGVEIDPRDRFVYKAHMLEDVPNLFWCVGYTNASWTLRADMTARATAKLLAHMAAHGHTRAAPHLGDEPMDEKPSWDIQAGYVKRAPYALPKSGTKRPWNVRQNYLADAIDYRFDRIEEAMVFGAA
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] (00:00:07)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:07)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:07)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:07)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:07)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:09)
[INFO] Main: Simulation completed successfully. (00:05:12)
|
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 | 1.4260 | |
| 2 | S | A | 1.1295 | |
| 3 | V | A | 1.6976 | |
| 4 | T | A | 0.3953 | |
| 5 | P | A | -0.4418 | |
| 6 | N | A | -1.3503 | |
| 7 | A | A | -0.8545 | |
| 8 | G | A | -0.3945 | |
| 9 | C | A | 0.1089 | |
| 10 | V | A | 0.0415 | |
| 11 | D | A | -0.6455 | |
| 12 | V | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | G | A | -0.1251 | |
| 17 | A | A | 0.0000 | |
| 18 | G | A | 0.0000 | |
| 19 | I | A | 0.1815 | |
| 20 | S | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | Y | A | -0.3406 | |
| 27 | R | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | I | A | -0.7600 | |
| 30 | E | A | -1.6470 | |
| 31 | R | A | -2.5174 | |
| 32 | N | A | 0.0000 | |
| 33 | P | A | -1.2779 | |
| 34 | Q | A | -1.5113 | |
| 35 | L | A | -0.6791 | |
| 36 | T | A | -0.2564 | |
| 37 | Y | A | 0.0000 | |
| 38 | T | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | E | A | 0.0000 | |
| 42 | R | A | -1.3999 | |
| 43 | R | A | -1.4170 | |
| 44 | A | A | -1.3513 | |
| 45 | R | A | -2.0798 | |
| 46 | I | A | 0.0000 | |
| 47 | G | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | T | A | -0.0283 | |
| 50 | W | A | -0.4727 | |
| 51 | D | A | 0.0000 | |
| 52 | L | A | -0.7262 | |
| 53 | F | A | -0.7572 | |
| 54 | R | A | -2.2074 | |
| 55 | Y | A | 0.0000 | |
| 56 | P | A | -0.7749 | |
| 57 | G | A | -0.5622 | |
| 58 | V | A | -0.6461 | |
| 59 | R | A | -0.8327 | |
| 60 | S | A | 0.0000 | |
| 61 | D | A | -0.8108 | |
| 62 | S | A | -0.4404 | |
| 63 | S | A | -0.2063 | |
| 64 | I | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | S | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | P | A | -0.2226 | |
| 71 | Y | A | 0.0000 | |
| 72 | E | A | -0.5330 | |
| 73 | P | A | -0.7337 | |
| 74 | W | A | 0.0000 | |
| 75 | T | A | -1.4782 | |
| 76 | R | A | -2.6354 | |
| 77 | E | A | -2.5413 | |
| 78 | E | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | D | A | -1.0863 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | -1.0512 | |
| 85 | H | A | -1.4376 | |
| 86 | I | A | 0.0000 | |
| 87 | R | A | -1.5691 | |
| 88 | E | A | -2.1634 | |
| 89 | Y | A | -1.7090 | |
| 90 | L | A | 0.0000 | |
| 91 | T | A | -2.2747 | |
| 92 | D | A | -3.0386 | |
| 93 | M | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | H | A | -2.7904 | |
| 96 | K | A | -2.6012 | |
| 97 | Y | A | -1.3619 | |
| 98 | G | A | -1.7645 | |
| 99 | I | A | 0.0000 | |
| 100 | D | A | -2.1094 | |
| 101 | R | A | -2.4206 | |
| 102 | H | A | -1.4739 | |
| 103 | I | A | -1.1056 | |
| 104 | E | A | -1.0527 | |
| 105 | F | A | -0.8031 | |
| 106 | N | A | -1.9540 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | -1.2190 | |
| 109 | V | A | 0.0000 | |
| 110 | R | A | -1.1877 | |
| 111 | A | A | -0.9054 | |
| 112 | A | A | 0.0000 | |
| 113 | D | A | -1.2249 | |
| 114 | W | A | 0.0000 | |
| 115 | D | A | -1.5174 | |
| 116 | S | A | -0.9226 | |
| 117 | S | A | -0.6485 | |
| 118 | T | A | -0.4824 | |
| 119 | D | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | W | A | 0.0000 | |
| 122 | T | A | -0.6593 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -1.0395 | |
| 125 | F | A | 0.0000 | |
| 126 | E | A | -1.5554 | |
| 127 | Q | A | -1.3847 | |
| 128 | N | A | -1.6309 | |
| 129 | G | A | -0.8749 | |
| 130 | V | A | -0.0751 | |
| 131 | H | A | -1.1564 | |
| 132 | K | A | -1.1591 | |
| 133 | H | A | -1.1435 | |
| 134 | Y | A | -0.5849 | |
| 135 | R | A | -0.9560 | |
| 136 | S | A | 0.0000 | |
| 137 | R | A | -0.9565 | |
| 138 | F | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | S | A | -0.1677 | |
| 144 | G | A | 0.0000 | |
| 145 | Y | A | -0.0554 | |
| 146 | Y | A | 0.0000 | |
| 147 | N | A | -1.2293 | |
| 148 | Y | A | -1.3419 | |
| 149 | D | A | -2.3434 | |
| 150 | E | A | -2.5887 | |
| 151 | G | A | -1.2370 | |
| 152 | Y | A | -0.4027 | |
| 153 | T | A | -0.6084 | |
| 154 | P | A | -0.8908 | |
| 155 | D | A | -1.8674 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -1.7812 | |
| 158 | G | A | -1.8692 | |
| 159 | I | A | -1.4934 | |
| 160 | E | A | -2.5336 | |
| 161 | K | A | -2.8057 | |
| 162 | F | A | 0.0000 | |
| 163 | G | A | -1.3842 | |
| 164 | G | A | -1.0071 | |
| 165 | A | A | -0.0062 | |
| 166 | V | A | 0.4768 | |
| 167 | V | A | 0.0000 | |
| 168 | H | A | -0.4914 | |
| 169 | P | A | 0.0000 | |
| 170 | Q | A | 0.0000 | |
| 171 | H | A | -2.0326 | |
| 172 | W | A | 0.0000 | |
| 173 | P | A | -2.2344 | |
| 174 | E | A | -3.3511 | |
| 175 | D | A | -3.0505 | |
| 176 | L | A | -2.0588 | |
| 177 | D | A | -2.7292 | |
| 178 | Y | A | 0.0000 | |
| 179 | T | A | -2.2468 | |
| 180 | G | A | -2.6855 | |
| 181 | K | A | -2.7658 | |
| 182 | K | A | -2.6761 | |
| 183 | I | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | G | A | -0.5151 | |
| 188 | S | A | -0.4769 | |
| 189 | G | A | -0.4412 | |
| 190 | A | A | -0.3422 | |
| 191 | T | A | -0.1747 | |
| 192 | A | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | P | A | -0.8528 | |
| 198 | S | A | -0.8588 | |
| 199 | L | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | D | A | -2.9141 | |
| 202 | R | A | -3.1667 | |
| 203 | A | A | 0.0000 | |
| 204 | E | A | -3.4635 | |
| 205 | K | A | -2.6022 | |
| 206 | V | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | Q | A | 0.0000 | |
| 211 | R | A | -1.9789 | |
| 212 | S | A | -1.3736 | |
| 213 | P | A | 0.0000 | |
| 214 | T | A | 0.0000 | |
| 215 | Y | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | I | A | 0.1864 | |
| 218 | S | A | -0.4747 | |
| 219 | A | A | -0.4860 | |
| 220 | S | A | -0.7706 | |
| 221 | K | A | -0.8888 | |
| 222 | Y | A | 0.1175 | |
| 223 | S | A | 0.4596 | |
| 224 | T | A | 0.6160 | |
| 225 | F | A | 1.2615 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | 0.3086 | |
| 228 | V | A | 1.3878 | |
| 229 | V | A | 0.6672 | |
| 230 | R | A | -0.7632 | |
| 231 | K | A | -1.1358 | |
| 232 | A | A | -0.1791 | |
| 233 | L | A | 0.0121 | |
| 234 | P | A | -0.8986 | |
| 235 | P | A | -1.2803 | |
| 236 | K | A | -1.6136 | |
| 237 | T | A | -0.4143 | |
| 238 | S | A | 0.0000 | |
| 239 | H | A | 0.0000 | |
| 240 | L | A | 0.8350 | |
| 241 | I | A | 1.3522 | |
| 242 | V | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | M | A | 1.5422 | |
| 245 | Y | A | 1.7340 | |
| 246 | N | A | 1.1792 | |
| 247 | A | A | 0.0000 | |
| 248 | L | A | 2.2625 | |
| 249 | L | A | 2.4326 | |
| 250 | E | A | 1.5396 | |
| 251 | A | A | 2.1056 | |
| 252 | V | A | 3.1147 | |
| 253 | F | A | 2.1118 | |
| 254 | W | A | 1.5304 | |
| 255 | F | A | 1.7840 | |
| 256 | L | A | 1.2245 | |
| 257 | S | A | 0.0000 | |
| 258 | R | A | -0.5717 | |
| 259 | K | A | -1.1502 | |
| 260 | T | A | 0.0149 | |
| 261 | P | A | 0.7212 | |
| 262 | V | A | 2.1104 | |
| 263 | F | A | 2.0063 | |
| 264 | V | A | 0.0000 | |
| 265 | K | A | 0.7955 | |
| 266 | W | A | 1.3608 | |
| 267 | L | A | 1.0151 | |
| 268 | L | A | 0.0000 | |
| 269 | R | A | -0.9190 | |
| 270 | R | A | -1.5808 | |
| 271 | T | A | -0.9239 | |
| 272 | A | A | 0.0000 | |
| 273 | I | A | -0.7838 | |
| 274 | K | A | -2.0011 | |
| 275 | N | A | -1.3891 | |
| 276 | L | A | 0.0000 | |
| 277 | P | A | -1.4587 | |
| 278 | E | A | -2.2043 | |
| 279 | G | A | -1.3849 | |
| 280 | Y | A | -1.2104 | |
| 281 | D | A | -1.9589 | |
| 282 | I | A | 0.0000 | |
| 283 | E | A | -2.3090 | |
| 284 | T | A | -1.3387 | |
| 285 | H | A | -1.2015 | |
| 286 | F | A | 0.0000 | |
| 287 | T | A | -1.4104 | |
| 288 | P | A | 0.0000 | |
| 289 | R | A | -1.8796 | |
| 290 | Y | A | -1.1858 | |
| 291 | N | A | -0.8748 | |
| 292 | P | A | 0.0000 | |
| 293 | W | A | -0.5622 | |
| 294 | D | A | -1.2234 | |
| 295 | Q | A | -1.2261 | |
| 296 | R | A | -0.9074 | |
| 297 | L | A | 0.0000 | |
| 298 | C | A | 0.0000 | |
| 299 | L | A | -0.2962 | |
| 300 | I | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | D | A | -1.9942 | |
| 303 | A | A | 0.0000 | |
| 304 | D | A | -1.3084 | |
| 305 | L | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | N | A | -1.7569 | |
| 308 | A | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | T | A | -1.2440 | |
| 311 | S | A | -1.1575 | |
| 312 | G | A | -1.5938 | |
| 313 | R | A | -2.5556 | |
| 314 | A | A | 0.0000 | |
| 315 | E | A | -0.9357 | |
| 316 | V | A | 0.0000 | |
| 317 | V | A | -0.2926 | |
| 318 | T | A | -0.7326 | |
| 319 | D | A | -1.7334 | |
| 320 | H | A | -2.2703 | |
| 321 | I | A | -1.9500 | |
| 322 | D | A | -2.6072 | |
| 323 | H | A | -2.0361 | |
| 324 | F | A | 0.0000 | |
| 325 | D | A | -1.6961 | |
| 326 | A | A | -1.4358 | |
| 327 | T | A | -1.3598 | |
| 328 | G | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | A | A | -1.6686 | |
| 331 | L | A | 0.0000 | |
| 332 | K | A | -2.8542 | |
| 333 | S | A | -1.7494 | |
| 334 | G | A | -1.4999 | |
| 335 | G | A | -1.2124 | |
| 336 | H | A | -1.5374 | |
| 337 | L | A | -1.0863 | |
| 338 | D | A | -2.3131 | |
| 339 | A | A | 0.0000 | |
| 340 | D | A | -2.0897 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | -0.0993 | |
| 347 | G | A | -0.1256 | |
| 348 | L | A | -0.2376 | |
| 349 | Q | A | -0.8492 | |
| 350 | L | A | 0.0000 | |
| 351 | Q | A | -0.3840 | |
| 352 | A | A | -0.4596 | |
| 353 | L | A | 0.0000 | |
| 354 | G | A | -0.5187 | |
| 355 | G | A | -0.6742 | |
| 356 | A | A | 0.0000 | |
| 357 | A | A | -0.8667 | |
| 358 | I | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | L | A | -0.8879 | |
| 361 | D | A | -1.9573 | |
| 362 | G | A | -1.0413 | |
| 363 | V | A | 0.2091 | |
| 364 | E | A | -1.3725 | |
| 365 | I | A | -1.0332 | |
| 366 | D | A | -2.0484 | |
| 367 | P | A | -1.7188 | |
| 368 | R | A | -2.1672 | |
| 369 | D | A | -2.6286 | |
| 370 | R | A | -2.1138 | |
| 371 | F | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | K | A | -0.8868 | |
| 375 | A | A | -0.3560 | |
| 376 | H | A | 0.0000 | |
| 377 | M | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | E | A | -1.0118 | |
| 380 | D | A | -0.7693 | |
| 381 | V | A | 0.0000 | |
| 382 | P | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | F | A | 0.0000 | |
| 386 | W | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | Y | A | 0.0000 | |
| 391 | T | A | 0.0000 | |
| 392 | N | A | -0.3261 | |
| 393 | A | A | -0.2508 | |
| 394 | S | A | 0.0000 | |
| 395 | W | A | 0.1571 | |
| 396 | T | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | R | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | D | A | -0.3966 | |
| 401 | M | A | -0.3281 | |
| 402 | T | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | R | A | -1.7330 | |
| 405 | A | A | -0.8257 | |
| 406 | T | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | K | A | -1.3464 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | A | A | -0.7064 | |
| 412 | H | A | -0.7893 | |
| 413 | M | A | 0.0000 | |
| 414 | A | A | -0.4742 | |
| 415 | A | A | -0.6070 | |
| 416 | H | A | -1.2402 | |
| 417 | G | A | -1.0622 | |
| 418 | H | A | -0.8195 | |
| 419 | T | A | -0.6326 | |
| 420 | R | A | -0.3413 | |
| 421 | A | A | 0.0000 | |
| 422 | A | A | 0.1120 | |
| 423 | P | A | 0.0000 | |
| 424 | H | A | -0.5602 | |
| 425 | L | A | -0.9618 | |
| 426 | G | A | -1.8376 | |
| 427 | D | A | -2.8535 | |
| 428 | E | A | -2.9791 | |
| 429 | P | A | -2.1464 | |
| 430 | M | A | -2.3278 | |
| 431 | D | A | -3.2088 | |
| 432 | E | A | -3.2317 | |
| 433 | K | A | -2.1266 | |
| 434 | P | A | -1.2545 | |
| 435 | S | A | 0.0000 | |
| 436 | W | A | 0.0000 | |
| 437 | D | A | -2.4703 | |
| 438 | I | A | 0.0000 | |
| 439 | Q | A | -2.0887 | |
| 440 | A | A | 0.0000 | |
| 441 | G | A | -1.3695 | |
| 442 | Y | A | -0.9224 | |
| 443 | V | A | 0.0000 | |
| 444 | K | A | -2.4678 | |
| 445 | R | A | -1.6480 | |
| 446 | A | A | -0.7275 | |
| 447 | P | A | -0.8922 | |
| 448 | Y | A | 0.1526 | |
| 449 | A | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | P | A | 0.0000 | |
| 452 | K | A | -1.7577 | |
| 453 | S | A | 0.0000 | |
| 454 | G | A | 0.0000 | |
| 455 | T | A | -2.2455 | |
| 456 | K | A | -2.6587 | |
| 457 | R | A | -2.7041 | |
| 458 | P | A | -1.8903 | |
| 459 | W | A | 0.0000 | |
| 460 | N | A | -2.1399 | |
| 461 | V | A | 0.0000 | |
| 462 | R | A | -1.4214 | |
| 463 | Q | A | -0.8517 | |
| 464 | N | A | -0.2422 | |
| 465 | Y | A | 0.4004 | |
| 466 | L | A | 1.0242 | |
| 467 | A | A | 0.4057 | |
| 468 | D | A | 0.2280 | |
| 469 | A | A | 0.7600 | |
| 470 | I | A | 1.6902 | |
| 471 | D | A | 0.0474 | |
| 472 | Y | A | -0.0876 | |
| 473 | R | A | -0.5931 | |
| 474 | F | A | 0.8471 | |
| 475 | D | A | -0.8452 | |
| 476 | R | A | -2.2412 | |
| 477 | I | A | -1.4786 | |
| 478 | E | A | -1.9557 | |
| 479 | E | A | 0.0000 | |
| 480 | A | A | -0.6581 | |
| 481 | M | A | -0.1752 | |
| 482 | V | A | 1.1023 | |
| 483 | F | A | 0.4022 | |
| 484 | G | A | 0.0624 | |
| 485 | A | A | -0.3328 | |
| 486 | A | A | -0.1800 |
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