| Chain sequence(s) |
B: HDIAELKRLDLAHHLPAFADHKVIAEQGGSRIITRAEGVYIHDGEGHQILDGWAGLFCVNVGYGREELAKAAYDQMLELPYYNTFFKTATPPPIELAAKIAQKMGGHLSHVFYNSSGSEANDTVFRLVRHFWKLKGEPSRTVFISRWNAYHGSTVAGVSLGGMKHMHKQGDLPIAGVEHVMQPYQFGDGFGEDPAAFRDRAVQAIEDKILEVGPENVAAFIGEPVQGAGGVIIPPDGYWPAVEALCRKYGILLVCDEVACGFGRLGQWFGHQHYGIKPDLIAMAKGLSSGYLPISAVGVADHIVAELREKGGDFIHGFTYSGHPTAAAVALKNIEIMEREGLVERTRDETGPYLAQALASLNDHPLVGEVRSLGLIGAVEIVREKGTNHRFLDKEGEAGPIVRDLCIKNGLMVRAIRDSIVCCPPLIITKAQIDELVGIIRKSLDEAEPVLRAL
input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LA63B,WF60B,AL266B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0536092 kcal/mol |
| 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 B 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] FoldX: Building mutant model (00:05:16)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:59)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:43)
[INFO] Main: Simulation completed successfully. (00:08:45)
|
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 | |
| 8 | H | B | -1.8516 | |
| 9 | D | B | -2.6186 | |
| 10 | I | B | -1.6220 | |
| 11 | A | B | -1.4510 | |
| 12 | E | B | -2.0482 | |
| 13 | L | B | -1.0807 | |
| 14 | K | B | -1.5085 | |
| 15 | R | B | -2.0230 | |
| 16 | L | B | -0.5755 | |
| 17 | D | B | 0.0000 | |
| 18 | L | B | -0.0421 | |
| 19 | A | B | -0.1807 | |
| 20 | H | B | -0.8554 | |
| 21 | H | B | -0.5263 | |
| 22 | L | B | 1.0138 | |
| 23 | P | B | 0.6440 | |
| 24 | A | B | 0.9537 | |
| 25 | F | B | 1.6745 | |
| 26 | A | B | 0.1850 | |
| 27 | D | B | -1.5314 | |
| 28 | H | B | -1.4087 | |
| 29 | K | B | -2.3783 | |
| 30 | V | B | -1.1855 | |
| 31 | I | B | -1.1640 | |
| 32 | A | B | -1.7124 | |
| 33 | E | B | -2.4202 | |
| 34 | Q | B | -2.2133 | |
| 35 | G | B | -1.7750 | |
| 36 | G | B | 0.0000 | |
| 37 | S | B | -0.7001 | |
| 38 | R | B | -1.2487 | |
| 39 | I | B | -0.2242 | |
| 40 | I | B | 0.3714 | |
| 41 | T | B | -0.7163 | |
| 42 | R | B | -1.9317 | |
| 43 | A | B | -1.6515 | |
| 44 | E | B | -2.3727 | |
| 45 | G | B | -0.9597 | |
| 46 | V | B | 0.0000 | |
| 47 | Y | B | -0.9304 | |
| 48 | I | B | 0.0000 | |
| 49 | H | B | 0.0000 | |
| 50 | D | B | 0.0000 | |
| 51 | G | B | -1.7173 | |
| 52 | E | B | -2.3473 | |
| 53 | G | B | -1.8096 | |
| 54 | H | B | -1.9852 | |
| 55 | Q | B | -1.9459 | |
| 56 | I | B | 0.0000 | |
| 57 | L | B | 0.0000 | |
| 58 | D | B | 0.0000 | |
| 59 | G | B | 0.0000 | |
| 60 | F | B | 0.0000 | mutated: WF60B |
| 61 | A | B | 0.0000 | |
| 62 | G | B | -0.1199 | |
| 63 | A | B | -0.1214 | mutated: LA63B |
| 64 | F | B | 0.0000 | |
| 65 | C | B | -0.1944 | |
| 66 | V | B | 0.0000 | |
| 67 | N | B | 0.0000 | |
| 68 | V | B | 0.0000 | |
| 69 | G | B | 0.0000 | |
| 70 | Y | B | -1.2440 | |
| 71 | G | B | -1.9453 | |
| 72 | R | B | -1.9675 | |
| 73 | E | B | -2.7309 | |
| 74 | E | B | -1.9862 | |
| 75 | L | B | 0.0000 | |
| 76 | A | B | -1.5496 | |
| 77 | K | B | -2.3749 | |
| 78 | A | B | -1.3747 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | 0.0633 | |
| 81 | D | B | -1.3733 | |
| 82 | Q | B | -0.5138 | |
| 83 | M | B | 0.5526 | |
| 84 | L | B | 0.7129 | |
| 85 | E | B | -0.9852 | |
| 86 | L | B | -0.0446 | |
| 87 | P | B | 0.4405 | |
| 88 | Y | B | 0.7296 | |
| 89 | Y | B | 1.3467 | |
| 90 | N | B | 0.0000 | |
| 91 | T | B | 1.0256 | |
| 92 | F | B | 2.1140 | |
| 93 | F | B | 1.8801 | |
| 94 | K | B | -0.3243 | |
| 95 | T | B | 0.3160 | |
| 96 | A | B | 0.6078 | |
| 97 | T | B | 0.0000 | |
| 98 | P | B | -0.0259 | |
| 99 | P | B | 0.0000 | |
| 100 | P | B | 0.0000 | |
| 101 | I | B | 1.0478 | |
| 102 | E | B | -0.9605 | |
| 103 | L | B | 0.0000 | |
| 104 | A | B | -0.0625 | |
| 105 | A | B | -0.6086 | |
| 106 | K | B | -1.0970 | |
| 107 | I | B | 0.0000 | |
| 108 | A | B | -1.1965 | |
| 109 | Q | B | -1.4544 | |
| 110 | K | B | 0.0000 | |
| 111 | M | B | 0.0000 | |
| 112 | G | B | -1.2273 | |
| 113 | G | B | -1.5723 | |
| 114 | H | B | -1.8360 | |
| 115 | L | B | 0.0000 | |
| 116 | S | B | -1.1479 | |
| 117 | H | B | -0.4859 | |
| 118 | V | B | 0.5289 | |
| 119 | F | B | 0.5164 | |
| 120 | Y | B | 0.4739 | |
| 121 | N | B | 0.0000 | |
| 122 | S | B | 0.0026 | |
| 123 | S | B | -0.3760 | |
| 124 | G | B | -0.4211 | |
| 125 | S | B | -0.1639 | |
| 126 | E | B | -0.4221 | |
| 127 | A | B | 0.0000 | |
| 128 | N | B | 0.0000 | |
| 129 | D | B | -0.7636 | |
| 130 | T | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | F | B | 0.0000 | |
| 133 | R | B | -1.3984 | |
| 134 | L | B | 0.0000 | |
| 135 | V | B | 0.0000 | |
| 136 | R | B | -1.4880 | |
| 137 | H | B | -1.1814 | |
| 138 | F | B | 0.0000 | |
| 139 | W | B | 0.0000 | |
| 140 | K | B | -2.5486 | |
| 141 | L | B | -2.2604 | |
| 142 | K | B | -2.4679 | |
| 143 | G | B | -2.0688 | |
| 144 | E | B | -2.5440 | |
| 145 | P | B | -2.0832 | |
| 146 | S | B | -1.5326 | |
| 147 | R | B | 0.0000 | |
| 148 | T | B | -1.0240 | |
| 149 | V | B | -0.3788 | |
| 150 | F | B | 0.0000 | |
| 151 | I | B | 0.0000 | |
| 152 | S | B | 0.0000 | |
| 153 | R | B | 0.0000 | |
| 154 | W | B | 0.1116 | |
| 155 | N | B | -0.1935 | |
| 156 | A | B | 0.0000 | |
| 157 | Y | B | 0.2450 | |
| 158 | H | B | 0.0000 | |
| 159 | G | B | 0.0000 | |
| 160 | S | B | 0.4095 | |
| 161 | T | B | 0.5456 | |
| 162 | V | B | 1.4778 | |
| 163 | A | B | 0.0000 | |
| 164 | G | B | 0.0000 | |
| 165 | V | B | 0.0000 | |
| 166 | S | B | 0.0000 | |
| 167 | L | B | 0.0000 | |
| 168 | G | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | M | B | -1.0133 | |
| 171 | K | B | -2.5307 | |
| 172 | H | B | -2.4941 | |
| 173 | M | B | -2.0930 | |
| 174 | H | B | 0.0000 | |
| 175 | K | B | -3.6249 | |
| 176 | Q | B | -3.1114 | |
| 177 | G | B | -1.9440 | |
| 178 | D | B | -2.5038 | |
| 179 | L | B | -1.0985 | |
| 180 | P | B | -0.2242 | |
| 181 | I | B | 0.7410 | |
| 182 | A | B | 0.3445 | |
| 183 | G | B | 0.0011 | |
| 184 | V | B | 0.0000 | |
| 185 | E | B | -0.4791 | |
| 186 | H | B | -0.2858 | |
| 187 | V | B | 0.0000 | |
| 188 | M | B | -0.1658 | |
| 189 | Q | B | -0.3789 | |
| 190 | P | B | 0.0000 | |
| 191 | Y | B | 0.0000 | |
| 192 | Q | B | -0.9460 | |
| 193 | F | B | 0.0000 | |
| 194 | G | B | -1.0117 | |
| 195 | D | B | -1.6277 | |
| 196 | G | B | 0.0000 | |
| 197 | F | B | -0.0868 | |
| 198 | G | B | -0.8828 | |
| 199 | E | B | -1.6838 | |
| 200 | D | B | -2.4113 | |
| 201 | P | B | -2.0348 | |
| 202 | A | B | -1.8722 | |
| 203 | A | B | -1.8028 | |
| 204 | F | B | 0.0000 | |
| 205 | R | B | -2.5196 | |
| 206 | D | B | -2.8667 | |
| 207 | R | B | -2.2451 | |
| 208 | A | B | 0.0000 | |
| 209 | V | B | -1.5073 | |
| 210 | Q | B | -2.0647 | |
| 211 | A | B | -1.4237 | |
| 212 | I | B | 0.0000 | |
| 213 | E | B | -1.5114 | |
| 214 | D | B | -2.0916 | |
| 215 | K | B | -1.5037 | |
| 216 | I | B | 0.0000 | |
| 217 | L | B | -0.3638 | |
| 218 | E | B | -1.6657 | |
| 219 | V | B | -0.9813 | |
| 220 | G | B | -0.9249 | |
| 221 | P | B | -1.1797 | |
| 222 | E | B | -2.1252 | |
| 223 | N | B | -1.5759 | |
| 224 | V | B | 0.0000 | |
| 225 | A | B | 0.0000 | |
| 226 | A | B | 0.0000 | |
| 227 | F | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | E | B | 0.0000 | |
| 231 | P | B | 0.0000 | |
| 232 | V | B | 0.0000 | |
| 233 | Q | B | 0.0000 | |
| 234 | G | B | 0.0000 | |
| 235 | A | B | 0.1206 | |
| 236 | G | B | 0.0000 | |
| 237 | G | B | 0.0000 | |
| 238 | V | B | 0.0000 | |
| 239 | I | B | 0.0000 | |
| 240 | I | B | 0.1199 | |
| 241 | P | B | 0.0000 | |
| 242 | P | B | -1.4596 | |
| 243 | D | B | -1.9347 | |
| 244 | G | B | -1.3683 | |
| 245 | Y | B | 0.0000 | |
| 246 | W | B | 0.0000 | |
| 247 | P | B | -0.6914 | |
| 248 | A | B | -0.8087 | |
| 249 | V | B | 0.0000 | |
| 250 | E | B | -1.1078 | |
| 251 | A | B | -0.9654 | |
| 252 | L | B | 0.0000 | |
| 253 | C | B | 0.0000 | |
| 254 | R | B | -2.0490 | |
| 255 | K | B | -2.2969 | |
| 256 | Y | B | -1.3178 | |
| 257 | G | B | -1.3865 | |
| 258 | I | B | 0.0000 | |
| 259 | L | B | 0.0000 | |
| 260 | L | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | C | B | 0.0000 | |
| 263 | D | B | 0.0000 | |
| 264 | E | B | 0.0000 | |
| 265 | V | B | 0.0231 | |
| 266 | L | B | 0.0000 | mutated: AL266B |
| 267 | C | B | 0.0000 | |
| 268 | G | B | 0.0000 | |
| 269 | F | B | 0.0000 | |
| 270 | G | B | 0.0000 | |
| 271 | R | B | 0.0000 | |
| 272 | L | B | 0.0000 | |
| 273 | G | B | 0.0000 | |
| 274 | Q | B | -0.9290 | |
| 275 | W | B | -0.4314 | |
| 276 | F | B | 0.0000 | |
| 277 | G | B | 0.0000 | |
| 278 | H | B | 0.0000 | |
| 279 | Q | B | -1.0501 | |
| 280 | H | B | -0.9363 | |
| 281 | Y | B | -0.9395 | |
| 282 | G | B | -0.9985 | |
| 283 | I | B | 0.0000 | |
| 284 | K | B | -1.4734 | |
| 285 | P | B | 0.0000 | |
| 286 | D | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | I | B | 0.0000 | |
| 289 | A | B | 0.0000 | |
| 290 | M | B | 0.0000 | |
| 291 | A | B | 0.0000 | |
| 292 | K | B | -0.5239 | |
| 293 | G | B | 0.0000 | |
| 294 | L | B | 0.0000 | |
| 295 | S | B | 0.0000 | |
| 296 | S | B | 0.0000 | |
| 297 | G | B | -0.2638 | |
| 298 | Y | B | 0.2237 | |
| 299 | L | B | 0.2658 | |
| 300 | P | B | -0.1143 | |
| 301 | I | B | 0.0000 | |
| 302 | S | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | G | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | D | B | -1.7481 | |
| 309 | H | B | -1.2712 | |
| 310 | I | B | 0.0000 | |
| 311 | V | B | 0.0000 | |
| 312 | A | B | -1.8738 | |
| 313 | E | B | -2.5026 | |
| 314 | L | B | -2.2910 | |
| 315 | R | B | -3.4011 | |
| 316 | E | B | -3.6548 | |
| 317 | K | B | -3.4193 | |
| 318 | G | B | -2.7258 | |
| 319 | G | B | -1.9049 | |
| 320 | D | B | -1.2310 | |
| 321 | F | B | 0.1334 | |
| 322 | I | B | 1.3981 | |
| 323 | H | B | 0.5107 | |
| 324 | G | B | 0.6254 | |
| 325 | F | B | 0.5262 | |
| 326 | T | B | 0.7431 | |
| 327 | Y | B | 0.9177 | |
| 328 | S | B | 0.0000 | |
| 329 | G | B | 0.0000 | |
| 330 | H | B | 0.4419 | |
| 331 | P | B | 0.0000 | |
| 332 | T | B | 0.0000 | |
| 333 | A | B | 0.0000 | |
| 334 | A | B | 0.0000 | |
| 335 | A | B | -0.3543 | |
| 336 | V | B | 0.0000 | |
| 337 | A | B | 0.0000 | |
| 338 | L | B | -0.5753 | |
| 339 | K | B | -1.3002 | |
| 340 | N | B | 0.0000 | |
| 341 | I | B | 0.0000 | |
| 342 | E | B | -2.5980 | |
| 343 | I | B | 0.0000 | |
| 344 | M | B | 0.0000 | |
| 345 | E | B | -3.6508 | |
| 346 | R | B | -3.5425 | |
| 347 | E | B | -2.8385 | |
| 348 | G | B | -2.5000 | |
| 349 | L | B | 0.0000 | |
| 350 | V | B | 0.0000 | |
| 351 | E | B | -3.1874 | |
| 352 | R | B | -2.7788 | |
| 353 | T | B | 0.0000 | |
| 354 | R | B | -3.2158 | |
| 355 | D | B | -3.7850 | |
| 356 | E | B | -3.4704 | |
| 357 | T | B | 0.0000 | |
| 358 | G | B | 0.0000 | |
| 359 | P | B | -1.5276 | |
| 360 | Y | B | -1.3914 | |
| 361 | L | B | 0.0000 | |
| 362 | A | B | -0.4864 | |
| 363 | Q | B | -1.1055 | |
| 364 | A | B | -1.0138 | |
| 365 | L | B | 0.0000 | |
| 366 | A | B | -0.9657 | |
| 367 | S | B | -1.0932 | |
| 368 | L | B | 0.0000 | |
| 369 | N | B | -1.9280 | |
| 370 | D | B | -2.4319 | |
| 371 | H | B | 0.0000 | |
| 372 | P | B | -1.8462 | |
| 373 | L | B | 0.0000 | |
| 374 | V | B | 0.0000 | |
| 375 | G | B | -1.7284 | |
| 376 | E | B | -1.1589 | |
| 377 | V | B | -0.4586 | |
| 378 | R | B | -0.2511 | |
| 379 | S | B | -0.0523 | |
| 380 | L | B | 0.0595 | |
| 381 | G | B | -0.9973 | |
| 382 | L | B | 0.0000 | |
| 383 | I | B | 0.0000 | |
| 384 | G | B | 0.0000 | |
| 385 | A | B | 0.0000 | |
| 386 | V | B | 0.0000 | |
| 387 | E | B | 0.0000 | |
| 388 | I | B | 0.0000 | |
| 389 | V | B | 0.0000 | |
| 390 | R | B | -2.1373 | |
| 391 | E | B | -2.7010 | |
| 392 | K | B | -2.9783 | |
| 393 | G | B | -1.9035 | |
| 394 | T | B | -1.4406 | |
| 395 | N | B | -1.5479 | |
| 396 | H | B | -2.1255 | |
| 397 | R | B | 0.0000 | |
| 398 | F | B | 0.0000 | |
| 399 | L | B | -0.4951 | |
| 400 | D | B | -2.5637 | |
| 401 | K | B | -2.9747 | |
| 402 | E | B | -2.4849 | |
| 403 | G | B | -1.7611 | |
| 404 | E | B | -1.3738 | |
| 405 | A | B | 0.0000 | |
| 406 | G | B | 0.0000 | |
| 407 | P | B | -0.6669 | |
| 408 | I | B | -0.2536 | |
| 409 | V | B | 0.0000 | |
| 410 | R | B | -1.1630 | |
| 411 | D | B | -1.3587 | |
| 412 | L | B | -1.3889 | |
| 413 | C | B | 0.0000 | |
| 414 | I | B | -0.9743 | |
| 415 | K | B | -1.9468 | |
| 416 | N | B | -1.4893 | |
| 417 | G | B | -0.9978 | |
| 418 | L | B | 0.0000 | |
| 419 | M | B | -0.3823 | |
| 420 | V | B | 0.0000 | |
| 421 | R | B | -0.9975 | |
| 422 | A | B | -0.6524 | |
| 423 | I | B | -0.2180 | |
| 424 | R | B | -1.0461 | |
| 425 | D | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | I | B | 0.0000 | |
| 428 | V | B | 0.0000 | |
| 429 | C | B | 0.0000 | |
| 430 | C | B | 0.0000 | |
| 431 | P | B | 0.0000 | |
| 432 | P | B | 0.0000 | |
| 433 | L | B | 0.0000 | |
| 434 | I | B | 0.0858 | |
| 435 | I | B | 0.0000 | |
| 436 | T | B | -0.7963 | |
| 437 | K | B | -1.4416 | |
| 438 | A | B | -1.0655 | |
| 439 | Q | B | -1.1475 | |
| 440 | I | B | 0.0000 | |
| 441 | D | B | -1.8745 | |
| 442 | E | B | -1.6786 | |
| 443 | L | B | 0.0000 | |
| 444 | V | B | 0.0000 | |
| 445 | G | B | -1.4869 | |
| 446 | I | B | -1.4273 | |
| 447 | I | B | 0.0000 | |
| 448 | R | B | -1.9997 | |
| 449 | K | B | -2.4593 | |
| 450 | S | B | 0.0000 | |
| 451 | L | B | 0.0000 | |
| 452 | D | B | -2.9373 | |
| 453 | E | B | -2.0806 | |
| 454 | A | B | 0.0000 | |
| 455 | E | B | -1.9211 | |
| 456 | P | B | -1.0901 | |
| 457 | V | B | -0.0332 | |
| 458 | L | B | 0.0000 | |
| 459 | R | B | -1.1167 | |
| 460 | A | B | 0.1035 | |
| 461 | L | B | 1.3229 |
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