| Chain sequence(s) |
A: MYAKYFQQICCTFCLYYVRKLYWGYRICPFFIVWLIFLFSISNNNYHIILVDARLKILPYDKEIDGIAIEIPYIFIKNKVQAKGIYLNVDFENLDLVKATINKYQNEDNLYCNLNKDKTEKEIKKEEKQRCNDEHANVVITDNCLVFVNIKYKDSLINVQDFMEYMYLKTSAIGLIFVCDNFLYENEIYKPHGELNITILGENILTYLISYDLLSEYDRRNFNKYIFELYWGIENKTDIVHIIYNLDFGKYFSYSFFIYMKNFLLELKNYITYEIKFSVHTNFIIDPRFCFIRDSSYCISEPDYINSNMVREVVEQQVRSLCIYKLTAWKNEKLQHFPIADNNNSSDRTFSEKFIHYINALFDLGFEKKICSSGSIDLTKKCSDKILSHINVSVKEVNDCFLKNFHTYMKNMIKSKFYVYTIVINNKVFKIKLNKDMSIRLICSAFKLMPPRCIKYLKGDKSLSYLEMREKKKEQYISLYFLIVVVLVHIMGTLLNYVVPRYIDAKKKKTK
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:09)
[INFO] Main: Simulation completed successfully. (00:14:13)
|
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 | M | A | 1.7343 | |
| 2 | Y | A | 1.9938 | |
| 3 | A | A | 0.8380 | |
| 4 | K | A | -0.3504 | |
| 5 | Y | A | 1.5603 | |
| 6 | F | A | 1.8947 | |
| 7 | Q | A | -0.1420 | |
| 8 | Q | A | -0.0203 | |
| 9 | I | A | 1.3887 | |
| 10 | C | A | 1.7366 | |
| 11 | C | A | 2.1970 | |
| 12 | T | A | 2.5268 | |
| 13 | F | A | 3.5634 | |
| 14 | C | A | 3.5600 | |
| 15 | L | A | 3.5535 | |
| 16 | Y | A | 3.2337 | |
| 17 | Y | A | 3.4286 | |
| 18 | V | A | 2.9545 | |
| 19 | R | A | 0.3991 | |
| 20 | K | A | 0.5746 | |
| 21 | L | A | 2.1568 | |
| 22 | Y | A | 2.0452 | |
| 23 | W | A | 1.4426 | |
| 24 | G | A | 0.9773 | |
| 25 | Y | A | 1.0737 | |
| 26 | R | A | 0.2625 | |
| 27 | I | A | 2.6168 | |
| 28 | C | A | 2.6244 | |
| 29 | P | A | 2.4687 | |
| 30 | F | A | 3.8742 | |
| 31 | F | A | 4.4063 | |
| 32 | I | A | 4.4876 | |
| 33 | V | A | 4.5444 | |
| 34 | W | A | 4.4481 | |
| 35 | L | A | 4.3448 | |
| 36 | I | A | 4.9650 | |
| 37 | F | A | 4.8103 | |
| 38 | L | A | 3.7977 | |
| 39 | F | A | 3.2323 | |
| 40 | S | A | 2.1390 | |
| 41 | I | A | 2.3412 | |
| 42 | S | A | 0.5135 | |
| 43 | N | A | -1.2244 | |
| 44 | N | A | -1.4520 | |
| 45 | N | A | -1.3565 | |
| 46 | Y | A | -0.0969 | |
| 47 | H | A | -0.8999 | |
| 48 | I | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | L | A | -0.1410 | |
| 51 | V | A | 0.0000 | |
| 52 | D | A | -0.7726 | |
| 53 | A | A | 0.0000 | |
| 54 | R | A | -2.1402 | |
| 55 | L | A | 0.0000 | |
| 56 | K | A | -1.8584 | |
| 57 | I | A | 0.0000 | |
| 58 | L | A | -0.0518 | |
| 59 | P | A | -0.0199 | |
| 60 | Y | A | 0.0866 | |
| 61 | D | A | -1.9505 | |
| 62 | K | A | -2.3815 | |
| 63 | E | A | -3.1167 | |
| 64 | I | A | 0.0000 | |
| 65 | D | A | -2.6817 | |
| 66 | G | A | 0.0000 | |
| 67 | I | A | -0.3337 | |
| 68 | A | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | E | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | P | A | 1.0655 | |
| 73 | Y | A | 2.4179 | |
| 74 | I | A | 2.9373 | |
| 75 | F | A | 2.1578 | |
| 76 | I | A | 1.9325 | |
| 77 | K | A | -0.5474 | |
| 78 | N | A | -0.9977 | |
| 79 | K | A | -0.4618 | |
| 80 | V | A | 0.0000 | |
| 81 | Q | A | 0.3320 | |
| 82 | A | A | 0.0000 | |
| 83 | K | A | -1.0993 | |
| 84 | G | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | Y | A | -0.7696 | |
| 87 | L | A | 0.0000 | |
| 88 | N | A | -1.6027 | |
| 89 | V | A | -0.9985 | |
| 90 | D | A | -1.4427 | |
| 91 | F | A | 0.0000 | |
| 92 | E | A | -1.7682 | |
| 93 | N | A | -1.9994 | |
| 94 | L | A | -1.6978 | |
| 95 | D | A | -1.9406 | |
| 96 | L | A | -0.8200 | |
| 97 | V | A | 0.0000 | |
| 98 | K | A | -1.6040 | |
| 99 | A | A | -1.1544 | |
| 100 | T | A | -1.1607 | |
| 101 | I | A | 0.0000 | |
| 102 | N | A | -2.4735 | |
| 103 | K | A | -2.8373 | |
| 104 | Y | A | -2.2477 | |
| 105 | Q | A | -2.7325 | |
| 106 | N | A | -3.2567 | |
| 107 | E | A | -3.5653 | |
| 108 | D | A | -3.2185 | |
| 109 | N | A | -2.4230 | |
| 110 | L | A | -1.3317 | |
| 111 | Y | A | -0.9919 | |
| 112 | C | A | 0.0000 | |
| 113 | N | A | -1.6537 | |
| 114 | L | A | 0.0000 | |
| 115 | N | A | -2.5727 | |
| 116 | K | A | -2.9758 | |
| 117 | D | A | -3.9153 | |
| 118 | K | A | -3.8428 | |
| 119 | T | A | -3.4957 | |
| 120 | E | A | -4.1275 | |
| 121 | K | A | -4.3961 | |
| 122 | E | A | -4.2896 | |
| 123 | I | A | -2.8111 | |
| 124 | K | A | -4.3737 | |
| 125 | K | A | -5.2072 | |
| 126 | E | A | -4.9385 | |
| 127 | E | A | -4.9070 | |
| 128 | K | A | -4.7223 | |
| 129 | Q | A | -4.7510 | |
| 130 | R | A | -4.6167 | |
| 131 | C | A | -3.2617 | |
| 132 | N | A | -3.6500 | |
| 133 | D | A | -4.0944 | |
| 134 | E | A | -3.7125 | |
| 135 | H | A | -2.8188 | |
| 136 | A | A | -2.3607 | |
| 137 | N | A | -2.0190 | |
| 138 | V | A | -0.2164 | |
| 139 | V | A | 0.3890 | |
| 140 | I | A | 1.1572 | |
| 141 | T | A | -0.2595 | |
| 142 | D | A | -1.7128 | |
| 143 | N | A | -1.1463 | |
| 144 | C | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | N | A | -0.7429 | |
| 150 | I | A | 0.0000 | |
| 151 | K | A | -1.0851 | |
| 152 | Y | A | -0.2672 | |
| 153 | K | A | -0.9158 | |
| 154 | D | A | -1.4744 | |
| 155 | S | A | -0.5323 | |
| 156 | L | A | 0.0000 | |
| 157 | I | A | 0.7012 | |
| 158 | N | A | -0.5867 | |
| 159 | V | A | 0.0000 | |
| 160 | Q | A | -1.3259 | |
| 161 | D | A | -2.0914 | |
| 162 | F | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | E | A | -1.7099 | |
| 165 | Y | A | -0.9193 | |
| 166 | M | A | 0.0000 | |
| 167 | Y | A | -0.2457 | |
| 168 | L | A | -0.0916 | |
| 169 | K | A | -1.6061 | |
| 170 | T | A | 0.0000 | |
| 171 | S | A | -1.3099 | |
| 172 | A | A | -0.4095 | |
| 173 | I | A | -0.0959 | |
| 174 | G | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | C | A | 0.0000 | |
| 180 | D | A | -1.3865 | |
| 181 | N | A | -1.6954 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | -0.2965 | |
| 184 | Y | A | -0.0306 | |
| 185 | E | A | -0.8367 | |
| 186 | N | A | -0.7117 | |
| 187 | E | A | -0.2650 | |
| 188 | I | A | 1.0482 | |
| 189 | Y | A | 0.9134 | |
| 190 | K | A | -1.4190 | |
| 191 | P | A | -0.9354 | |
| 192 | H | A | -1.5586 | |
| 193 | G | A | -1.6237 | |
| 194 | E | A | -2.3264 | |
| 195 | L | A | -0.5449 | |
| 196 | N | A | -1.2154 | |
| 197 | I | A | -0.0687 | |
| 198 | T | A | 0.1606 | |
| 199 | I | A | 0.0000 | |
| 200 | L | A | -0.2463 | |
| 201 | G | A | -1.0007 | |
| 202 | E | A | -1.3838 | |
| 203 | N | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | Y | A | -1.0226 | |
| 212 | D | A | -2.0686 | |
| 213 | L | A | -1.4077 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -1.6829 | |
| 216 | E | A | -2.3226 | |
| 217 | Y | A | 0.0000 | |
| 218 | D | A | -2.2029 | |
| 219 | R | A | -2.2899 | |
| 220 | R | A | -2.9357 | |
| 221 | N | A | -2.4284 | |
| 222 | F | A | 0.0000 | |
| 223 | N | A | -2.1914 | |
| 224 | K | A | -2.4636 | |
| 225 | Y | A | 0.0000 | |
| 226 | I | A | 0.0819 | |
| 227 | F | A | 0.0000 | |
| 228 | E | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | Y | A | -0.8431 | |
| 231 | W | A | -0.3782 | |
| 232 | G | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | E | A | -2.9975 | |
| 235 | N | A | -2.8999 | |
| 236 | K | A | -2.4645 | |
| 237 | T | A | -1.4283 | |
| 238 | D | A | -0.4984 | |
| 239 | I | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | H | A | -0.5514 | |
| 242 | I | A | 0.0000 | |
| 243 | I | A | -0.2047 | |
| 244 | Y | A | 0.0000 | |
| 245 | N | A | -0.3966 | |
| 246 | L | A | 0.0000 | |
| 247 | D | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | K | A | 0.0000 | |
| 251 | Y | A | 1.1061 | |
| 252 | F | A | 0.8557 | |
| 253 | S | A | 0.0000 | |
| 254 | Y | A | 0.0000 | |
| 255 | S | A | 0.3362 | |
| 256 | F | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | I | A | 0.1728 | |
| 259 | Y | A | -0.1305 | |
| 260 | M | A | 0.0000 | |
| 261 | K | A | -0.9723 | |
| 262 | N | A | -1.6243 | |
| 263 | F | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | -1.1662 | |
| 266 | E | A | -1.5772 | |
| 267 | L | A | 0.0000 | |
| 268 | K | A | -1.0654 | |
| 269 | N | A | -1.1610 | |
| 270 | Y | A | -0.0257 | |
| 271 | I | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | Y | A | 0.0000 | |
| 274 | E | A | -1.0665 | |
| 275 | I | A | 0.0000 | |
| 276 | K | A | -1.4309 | |
| 277 | F | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | H | A | -0.4357 | |
| 281 | T | A | -0.2296 | |
| 282 | N | A | 0.3405 | |
| 283 | F | A | 1.8038 | |
| 284 | I | A | 2.0928 | |
| 285 | I | A | 0.7428 | |
| 286 | D | A | -0.7789 | |
| 287 | P | A | -1.2682 | |
| 288 | R | A | -2.5086 | |
| 289 | F | A | -1.6006 | |
| 290 | C | A | -1.1744 | |
| 291 | F | A | -0.8834 | |
| 292 | I | A | -1.0246 | |
| 293 | R | A | -2.5834 | |
| 294 | D | A | -2.2809 | |
| 295 | S | A | -1.3113 | |
| 296 | S | A | -0.8006 | |
| 297 | Y | A | 0.0000 | |
| 298 | C | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | S | A | -0.6543 | |
| 301 | E | A | -1.8525 | |
| 302 | P | A | -0.7359 | |
| 303 | D | A | -0.5870 | |
| 304 | Y | A | 0.2897 | |
| 305 | I | A | 1.0855 | |
| 306 | N | A | -0.8364 | |
| 307 | S | A | -1.3141 | |
| 308 | N | A | -2.0629 | |
| 309 | M | A | -1.4346 | |
| 310 | V | A | 0.0000 | |
| 311 | R | A | -1.8878 | |
| 312 | E | A | -1.9317 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | E | A | -1.4349 | |
| 316 | Q | A | 0.0000 | |
| 317 | Q | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | 0.0000 | |
| 320 | S | A | 0.0000 | |
| 321 | L | A | -0.3602 | |
| 322 | C | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | Y | A | 0.0000 | |
| 325 | K | A | -1.4739 | |
| 326 | L | A | -0.4085 | |
| 327 | T | A | -0.4632 | |
| 328 | A | A | -1.0037 | |
| 329 | W | A | -1.0877 | |
| 330 | K | A | -2.6194 | |
| 331 | N | A | 0.0000 | |
| 332 | E | A | -3.4492 | |
| 333 | K | A | -3.0441 | |
| 334 | L | A | -1.9291 | |
| 335 | Q | A | -2.3430 | |
| 336 | H | A | -1.4418 | |
| 337 | F | A | 0.5227 | |
| 338 | P | A | 0.7018 | |
| 339 | I | A | 1.1635 | |
| 340 | A | A | -0.1422 | |
| 341 | D | A | -2.3817 | |
| 342 | N | A | -2.7795 | |
| 343 | N | A | -3.0026 | |
| 344 | N | A | -3.0152 | |
| 345 | S | A | -1.9194 | |
| 346 | S | A | -2.0619 | |
| 347 | D | A | -2.9267 | |
| 348 | R | A | -1.8897 | |
| 349 | T | A | -1.5826 | |
| 350 | F | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | E | A | -0.9418 | |
| 353 | K | A | -0.9394 | |
| 354 | F | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | H | A | -0.6103 | |
| 357 | Y | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | N | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | F | A | 0.0000 | |
| 363 | D | A | -0.5414 | |
| 364 | L | A | -0.5525 | |
| 365 | G | A | -0.8276 | |
| 366 | F | A | -0.4544 | |
| 367 | E | A | 0.0000 | |
| 368 | K | A | -2.5289 | |
| 369 | K | A | -2.2267 | |
| 370 | I | A | -1.3866 | |
| 371 | C | A | 0.0000 | |
| 372 | S | A | -1.3999 | |
| 373 | S | A | -1.1267 | |
| 374 | G | A | -1.2943 | |
| 375 | S | A | -0.7290 | |
| 376 | I | A | -0.2619 | |
| 377 | D | A | -0.9883 | |
| 378 | L | A | 0.0000 | |
| 379 | T | A | -1.8836 | |
| 380 | K | A | -2.9340 | |
| 381 | K | A | -2.8384 | |
| 382 | C | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | D | A | -2.0223 | |
| 385 | K | A | -1.8375 | |
| 386 | I | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | S | A | -1.2830 | |
| 389 | H | A | -1.5695 | |
| 390 | I | A | -1.1651 | |
| 391 | N | A | -1.5139 | |
| 392 | V | A | -1.1151 | |
| 393 | S | A | -1.3063 | |
| 394 | V | A | -1.7204 | |
| 395 | K | A | -2.9856 | |
| 396 | E | A | -2.9600 | |
| 397 | V | A | 0.0000 | |
| 398 | N | A | -2.1806 | |
| 399 | D | A | -2.8645 | |
| 400 | C | A | 0.0000 | |
| 401 | F | A | -0.8032 | |
| 402 | L | A | -0.0878 | |
| 403 | K | A | -1.5307 | |
| 404 | N | A | -0.8129 | |
| 405 | F | A | -0.4317 | |
| 406 | H | A | -1.5223 | |
| 407 | T | A | -1.5252 | |
| 408 | Y | A | -1.3039 | |
| 409 | M | A | 0.0000 | |
| 410 | K | A | -2.4901 | |
| 411 | N | A | -2.3691 | |
| 412 | M | A | 0.0000 | |
| 413 | I | A | -1.2329 | |
| 414 | K | A | -1.8700 | |
| 415 | S | A | -1.4952 | |
| 416 | K | A | -1.7555 | |
| 417 | F | A | -0.5949 | |
| 418 | Y | A | 0.1418 | |
| 419 | V | A | 0.0664 | |
| 420 | Y | A | -0.0026 | |
| 421 | T | A | 0.0190 | |
| 422 | I | A | 0.0000 | |
| 423 | V | A | 0.0452 | |
| 424 | I | A | 0.0000 | |
| 425 | N | A | 0.0000 | |
| 426 | N | A | -1.5230 | |
| 427 | K | A | -1.0664 | |
| 428 | V | A | 0.4747 | |
| 429 | F | A | 0.0000 | |
| 430 | K | A | -0.4033 | |
| 431 | I | A | 0.0000 | |
| 432 | K | A | -1.0267 | |
| 433 | L | A | 0.0000 | |
| 434 | N | A | -1.1611 | |
| 435 | K | A | -1.4635 | |
| 436 | D | A | -1.0822 | |
| 437 | M | A | 0.0000 | |
| 438 | S | A | 0.0000 | |
| 439 | I | A | 0.0000 | |
| 440 | R | A | -0.1309 | |
| 441 | L | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | S | A | -0.4237 | |
| 445 | A | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | K | A | -1.7153 | |
| 448 | L | A | 0.8003 | |
| 449 | M | A | 0.5670 | |
| 450 | P | A | 0.0000 | |
| 451 | P | A | -0.3960 | |
| 452 | R | A | -1.3678 | |
| 453 | C | A | 0.0000 | |
| 454 | I | A | -0.2654 | |
| 455 | K | A | -2.4365 | |
| 456 | Y | A | -1.3587 | |
| 457 | L | A | -0.6615 | |
| 458 | K | A | -2.4920 | |
| 459 | G | A | -2.3199 | |
| 460 | D | A | -2.7791 | |
| 461 | K | A | -2.3349 | |
| 462 | S | A | -0.8226 | |
| 463 | L | A | 0.3329 | |
| 464 | S | A | -0.6573 | |
| 465 | Y | A | -0.6129 | |
| 466 | L | A | -0.8364 | |
| 467 | E | A | -2.4913 | |
| 468 | M | A | -2.2447 | |
| 469 | R | A | -3.9611 | |
| 470 | E | A | -4.7988 | |
| 471 | K | A | -4.3881 | |
| 472 | K | A | -4.0008 | |
| 473 | K | A | -4.1802 | |
| 474 | E | A | -3.4855 | |
| 475 | Q | A | -2.0782 | |
| 476 | Y | A | 0.3214 | |
| 477 | I | A | 1.1968 | |
| 478 | S | A | 1.4027 | |
| 479 | L | A | 2.7252 | |
| 480 | Y | A | 4.0725 | |
| 481 | F | A | 4.7296 | |
| 482 | L | A | 4.2301 | |
| 483 | I | A | 4.5721 | |
| 484 | V | A | 5.2280 | |
| 485 | V | A | 4.5044 | |
| 486 | V | A | 4.0729 | |
| 487 | L | A | 4.4923 | |
| 488 | V | A | 3.9614 | |
| 489 | H | A | 2.2792 | |
| 490 | I | A | 2.8804 | |
| 491 | M | A | 2.7256 | |
| 492 | G | A | 1.4886 | |
| 493 | T | A | 1.3985 | |
| 494 | L | A | 2.4571 | |
| 495 | L | A | 1.8273 | |
| 496 | N | A | 0.4356 | |
| 497 | Y | A | 1.4222 | |
| 498 | V | A | 1.5297 | |
| 499 | V | A | 1.6491 | |
| 500 | P | A | -0.0309 | |
| 501 | R | A | -1.1900 | |
| 502 | Y | A | 0.1919 | |
| 503 | I | A | -0.5495 | |
| 504 | D | A | -2.8201 | |
| 505 | A | A | -2.6382 | |
| 506 | K | A | -3.8615 | |
| 507 | K | A | -4.4444 | |
| 508 | K | A | -4.4824 | |
| 509 | K | A | -4.3356 | |
| 510 | T | A | -3.1461 | |
| 511 | K | A | -3.3281 |