| Chain sequence(s) |
A: YEHQTSIPNTVGVPYKTLVNRPGYSPMVLEMELQSVTLEPTLSLDYITCEYKTVIPSPYVKCCGTAECKDKSLPDYSCKVFTKVSPFMWGGASCYCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQGNNITVKAYANGDHAVTVKDAKFVVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESKDVYANTQLVLQRPAAGTVHVPYSQAPSGFKYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNIPISIDIPDAAFTRVVDAPSVTDMSCEVPACTHSSDFGGVAIIKYTASKKGKCAVHSMTNAVTIREADVEVEGNSQLQISKSTALASAEFRVQQCSTQVHCAAACHPPKDHIVNYPASHTTLGVQDISTTAMSWVQKITGGVGKQQAKDAEIQNSSLSQSYSRH
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FR87A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.304033 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 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] FoldX: Building mutant model (00:01:43)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:47)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:24)
[INFO] Main: Simulation completed successfully. (00:03:30)
|
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 | Y | A | -1.1186 | |
| 2 | E | A | -2.3958 | |
| 3 | H | A | -1.8633 | |
| 4 | Q | A | -1.8708 | |
| 5 | T | A | -0.6797 | |
| 6 | S | A | -0.6009 | |
| 7 | I | A | -0.3481 | |
| 8 | P | A | -0.3935 | |
| 9 | N | A | -0.3688 | |
| 10 | T | A | -0.2458 | |
| 11 | V | A | -0.1536 | |
| 12 | G | A | -0.3617 | |
| 13 | V | A | -0.1315 | |
| 14 | P | A | -0.5261 | |
| 15 | Y | A | -0.4525 | |
| 16 | K | A | -0.6268 | |
| 17 | T | A | -0.0965 | |
| 18 | L | A | 0.1533 | |
| 19 | V | A | 0.0000 | |
| 20 | N | A | -1.2040 | |
| 21 | R | A | -1.0004 | |
| 22 | P | A | -0.8516 | |
| 23 | G | A | -0.4432 | |
| 24 | Y | A | -0.3744 | |
| 25 | S | A | -0.2798 | |
| 26 | P | A | -0.1786 | |
| 27 | M | A | -0.2162 | |
| 28 | V | A | -0.1604 | |
| 29 | L | A | 0.0000 | |
| 30 | E | A | -0.4376 | |
| 31 | M | A | 0.0000 | |
| 32 | E | A | -0.7867 | |
| 33 | L | A | 0.0000 | |
| 34 | Q | A | -1.3411 | |
| 35 | S | A | -0.6847 | |
| 36 | V | A | -0.0052 | |
| 37 | T | A | -0.3238 | |
| 38 | L | A | -0.5411 | |
| 39 | E | A | -1.4923 | |
| 40 | P | A | -1.0564 | |
| 41 | T | A | -0.6510 | |
| 42 | L | A | -0.1696 | |
| 43 | S | A | 0.0287 | |
| 44 | L | A | 0.3885 | |
| 45 | D | A | -0.3470 | |
| 46 | Y | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | T | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | E | A | -1.8313 | |
| 51 | Y | A | -1.4302 | |
| 52 | K | A | -1.5822 | |
| 53 | T | A | -0.3109 | |
| 54 | V | A | 0.4112 | |
| 55 | I | A | 0.9144 | |
| 56 | P | A | 0.2875 | |
| 57 | S | A | 0.1447 | |
| 58 | P | A | 0.4424 | |
| 59 | Y | A | 1.0546 | |
| 60 | V | A | 0.7736 | |
| 61 | K | A | -0.2918 | |
| 62 | C | A | -0.1885 | |
| 63 | C | A | -0.1607 | |
| 64 | G | A | -0.3719 | |
| 65 | T | A | -0.6529 | |
| 66 | A | A | -0.7391 | |
| 67 | E | A | -2.0133 | |
| 68 | C | A | -2.0137 | |
| 69 | K | A | -3.0648 | |
| 70 | D | A | -3.0875 | |
| 71 | K | A | -2.4455 | |
| 72 | S | A | -0.9452 | |
| 73 | L | A | -0.2825 | |
| 74 | P | A | -0.5701 | |
| 75 | D | A | -0.8491 | |
| 76 | Y | A | -0.6428 | |
| 77 | S | A | -0.7914 | |
| 78 | C | A | -1.3007 | |
| 79 | K | A | -1.4154 | |
| 80 | V | A | -0.3246 | |
| 81 | F | A | -0.5423 | |
| 82 | T | A | -1.2134 | |
| 83 | K | A | -2.4241 | |
| 84 | V | A | 0.0000 | |
| 85 | S | A | -1.3211 | |
| 86 | P | A | 0.0000 | |
| 87 | R | A | -1.5135 | mutated: FR87A |
| 88 | M | A | -0.1101 | |
| 89 | W | A | 0.6773 | |
| 90 | G | A | -0.1841 | |
| 91 | G | A | -0.4745 | |
| 92 | A | A | -0.6362 | |
| 93 | S | A | -0.3167 | |
| 94 | C | A | 0.2615 | |
| 95 | Y | A | 1.0726 | |
| 96 | C | A | -0.2527 | |
| 97 | D | A | -1.8924 | |
| 98 | A | A | -1.8438 | |
| 99 | E | A | -2.4913 | |
| 100 | N | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | L | A | 0.0408 | |
| 104 | S | A | 0.0000 | |
| 105 | E | A | -0.4877 | |
| 106 | A | A | 0.0000 | |
| 107 | H | A | -0.2305 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -1.8930 | |
| 110 | K | A | -2.0399 | |
| 111 | S | A | -2.1132 | |
| 112 | E | A | -2.8162 | |
| 113 | S | A | -1.9425 | |
| 114 | C | A | 0.0000 | |
| 115 | K | A | -2.4637 | |
| 116 | T | A | -1.3445 | |
| 117 | E | A | -1.4174 | |
| 118 | F | A | -0.3579 | |
| 119 | A | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | Y | A | -0.2709 | |
| 123 | R | A | -1.8090 | |
| 124 | A | A | -1.8079 | |
| 125 | H | A | -1.8515 | |
| 126 | T | A | -0.6999 | |
| 127 | A | A | -0.7633 | |
| 128 | S | A | -0.5207 | |
| 129 | A | A | -0.1386 | |
| 130 | S | A | -0.2170 | |
| 131 | A | A | -0.5236 | |
| 132 | K | A | -1.6528 | |
| 133 | L | A | 0.0000 | |
| 134 | R | A | -1.4397 | |
| 135 | V | A | 0.0000 | |
| 136 | L | A | -0.8701 | |
| 137 | Y | A | -1.1565 | |
| 138 | Q | A | -1.6562 | |
| 139 | G | A | -1.8068 | |
| 140 | N | A | -1.8849 | |
| 141 | N | A | -1.8343 | |
| 142 | I | A | -0.8222 | |
| 143 | T | A | -0.8551 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | -1.7774 | |
| 146 | A | A | -0.7017 | |
| 147 | Y | A | 0.0964 | |
| 148 | A | A | 0.0000 | |
| 149 | N | A | -1.5865 | |
| 150 | G | A | -1.6887 | |
| 151 | D | A | -2.1954 | |
| 152 | H | A | -1.2779 | |
| 153 | A | A | -0.7209 | |
| 154 | V | A | -0.3707 | |
| 155 | T | A | -1.2398 | |
| 156 | V | A | -1.2560 | |
| 157 | K | A | -2.5474 | |
| 158 | D | A | -2.9375 | |
| 159 | A | A | 0.0000 | |
| 160 | K | A | -2.1874 | |
| 161 | F | A | 0.0000 | |
| 162 | V | A | -0.5501 | |
| 163 | V | A | -0.3110 | |
| 164 | G | A | -0.7555 | |
| 165 | P | A | -0.8464 | |
| 166 | M | A | -0.4150 | |
| 167 | S | A | -0.4470 | |
| 168 | S | A | -0.1978 | |
| 169 | A | A | 0.1662 | |
| 170 | W | A | 0.3742 | |
| 171 | T | A | -0.1605 | |
| 172 | P | A | -0.0149 | |
| 173 | F | A | -1.5263 | |
| 174 | D | A | -3.2282 | |
| 175 | N | A | -3.1978 | |
| 176 | K | A | -2.7573 | |
| 177 | I | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | V | A | -0.2778 | |
| 180 | Y | A | -0.7050 | |
| 181 | K | A | -1.9510 | |
| 182 | G | A | -1.4002 | |
| 183 | D | A | -0.8648 | |
| 184 | V | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | N | A | -2.1628 | |
| 187 | M | A | -1.7980 | |
| 188 | D | A | -2.4887 | |
| 189 | Y | A | 0.0000 | |
| 190 | P | A | -0.6800 | |
| 191 | P | A | -0.3119 | |
| 192 | F | A | 0.0844 | |
| 193 | G | A | -0.4251 | |
| 194 | A | A | -0.5526 | |
| 195 | G | A | 0.0000 | |
| 196 | R | A | -2.4186 | |
| 197 | P | A | -1.8313 | |
| 198 | G | A | -1.4168 | |
| 199 | Q | A | -1.6435 | |
| 200 | F | A | -0.6490 | |
| 201 | G | A | 0.0000 | |
| 202 | D | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | R | A | -2.3996 | |
| 207 | T | A | -1.8987 | |
| 208 | P | A | -1.9392 | |
| 209 | E | A | -2.9738 | |
| 210 | S | A | -2.7218 | |
| 211 | K | A | -3.3337 | |
| 212 | D | A | -3.0796 | |
| 213 | V | A | -1.4186 | |
| 214 | Y | A | -0.5474 | |
| 215 | A | A | -0.8326 | |
| 216 | N | A | -1.5047 | |
| 217 | T | A | -1.3579 | |
| 218 | Q | A | -1.1821 | |
| 219 | L | A | 0.0600 | |
| 220 | V | A | 0.9441 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -1.3568 | |
| 223 | R | A | -2.2231 | |
| 224 | P | A | -0.9250 | |
| 225 | A | A | -0.4796 | |
| 226 | A | A | -0.5978 | |
| 227 | G | A | -0.6648 | |
| 228 | T | A | -0.2527 | |
| 229 | V | A | 0.3765 | |
| 230 | H | A | -0.3292 | |
| 231 | V | A | -0.1283 | |
| 232 | P | A | -0.0855 | |
| 233 | Y | A | 0.6090 | |
| 234 | S | A | 0.1927 | |
| 235 | Q | A | -0.2308 | |
| 236 | A | A | -0.7733 | |
| 237 | P | A | -0.7241 | |
| 238 | S | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | K | A | -1.4625 | |
| 242 | Y | A | -0.8357 | |
| 243 | W | A | -1.3209 | |
| 244 | L | A | -1.4172 | |
| 245 | K | A | -2.6964 | |
| 246 | E | A | -3.0561 | |
| 247 | R | A | -2.3154 | |
| 248 | G | A | -1.6454 | |
| 249 | A | A | -0.9246 | |
| 250 | S | A | 0.0000 | |
| 251 | L | A | -0.7798 | |
| 252 | Q | A | -1.3318 | |
| 253 | H | A | -1.4194 | |
| 254 | T | A | -0.6348 | |
| 255 | A | A | -0.2934 | |
| 256 | P | A | 0.2745 | |
| 257 | F | A | 1.4804 | |
| 258 | G | A | -0.1048 | |
| 259 | C | A | 0.0000 | |
| 260 | Q | A | -1.3386 | |
| 261 | I | A | -0.8878 | |
| 262 | A | A | -0.8055 | |
| 263 | T | A | -1.1762 | |
| 264 | N | A | -1.7427 | |
| 265 | P | A | -1.4075 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -1.2063 | |
| 268 | A | A | 0.0000 | |
| 269 | V | A | -0.4498 | |
| 270 | N | A | -0.3733 | |
| 271 | C | A | 0.3137 | |
| 272 | A | A | 0.4360 | |
| 273 | V | A | 0.3479 | |
| 274 | G | A | -0.5685 | |
| 275 | N | A | -0.9358 | |
| 276 | I | A | 0.0000 | |
| 277 | P | A | -0.6091 | |
| 278 | I | A | 0.0000 | |
| 279 | S | A | -1.2999 | |
| 280 | I | A | 0.0000 | |
| 281 | D | A | -2.6328 | |
| 282 | I | A | 0.0000 | |
| 283 | P | A | -1.7235 | |
| 284 | D | A | -1.7341 | |
| 285 | A | A | -0.7667 | |
| 286 | A | A | -0.6309 | |
| 287 | F | A | -0.6330 | |
| 288 | T | A | -0.7418 | |
| 289 | R | A | -0.9723 | |
| 290 | V | A | 1.0440 | |
| 291 | V | A | 1.1318 | |
| 292 | D | A | -1.0518 | |
| 293 | A | A | -0.8998 | |
| 294 | P | A | -1.2759 | |
| 295 | S | A | -0.7473 | |
| 296 | V | A | -0.9465 | |
| 297 | T | A | -0.9950 | |
| 298 | D | A | -1.9649 | |
| 299 | M | A | -1.4336 | |
| 300 | S | A | -1.3373 | |
| 301 | C | A | -0.9983 | |
| 302 | E | A | -1.7581 | |
| 303 | V | A | -0.4370 | |
| 304 | P | A | -0.3543 | |
| 305 | A | A | -0.1894 | |
| 306 | C | A | -0.1339 | |
| 307 | T | A | -0.6432 | |
| 308 | H | A | -0.7876 | |
| 309 | S | A | -1.2605 | |
| 310 | S | A | -0.5848 | |
| 311 | D | A | -1.3294 | |
| 312 | F | A | -0.7011 | |
| 313 | G | A | -0.3736 | |
| 314 | G | A | 0.0230 | |
| 315 | V | A | 0.0725 | |
| 316 | A | A | 0.0000 | |
| 317 | I | A | -0.9604 | |
| 318 | I | A | 0.0000 | |
| 319 | K | A | -2.4757 | |
| 320 | Y | A | 0.0000 | |
| 321 | T | A | -2.0532 | |
| 322 | A | A | -2.0396 | |
| 323 | S | A | -1.8174 | |
| 324 | K | A | -3.2581 | |
| 325 | K | A | -3.8341 | |
| 326 | G | A | -2.9260 | |
| 327 | K | A | -3.4909 | |
| 328 | C | A | 0.0000 | |
| 329 | A | A | -1.2866 | |
| 330 | V | A | 0.0000 | |
| 331 | H | A | -0.8903 | |
| 332 | S | A | -0.6285 | |
| 333 | M | A | -0.4645 | |
| 334 | T | A | -1.0072 | |
| 335 | N | A | -1.2516 | |
| 336 | A | A | -0.7412 | |
| 337 | V | A | 0.0000 | |
| 338 | T | A | -0.8841 | |
| 339 | I | A | 0.0000 | |
| 340 | R | A | -2.6089 | |
| 341 | E | A | -2.6257 | |
| 342 | A | A | -1.8546 | |
| 343 | D | A | -2.9497 | |
| 344 | V | A | -2.3450 | |
| 345 | E | A | -3.4091 | |
| 346 | V | A | 0.0000 | |
| 347 | E | A | -4.0840 | |
| 348 | G | A | -2.6389 | |
| 349 | N | A | -2.4598 | |
| 350 | S | A | -2.1333 | |
| 351 | Q | A | -2.3618 | |
| 352 | L | A | -1.4072 | |
| 353 | Q | A | -1.3799 | |
| 354 | I | A | 0.0000 | |
| 355 | S | A | -0.7012 | |
| 356 | K | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | A | A | -0.1542 | |
| 360 | L | A | 0.0000 | |
| 361 | A | A | -0.3645 | |
| 362 | S | A | -0.5624 | |
| 363 | A | A | 0.0000 | |
| 364 | E | A | -2.2400 | |
| 365 | F | A | 0.0000 | |
| 366 | R | A | -2.0898 | |
| 367 | V | A | 0.0000 | |
| 368 | Q | A | -0.9159 | |
| 369 | Q | A | 0.0000 | |
| 370 | C | A | -0.6308 | |
| 371 | S | A | -0.2725 | |
| 372 | T | A | -0.6884 | |
| 373 | Q | A | -1.2209 | |
| 374 | V | A | -1.1889 | |
| 375 | H | A | -1.9486 | |
| 376 | C | A | 0.0000 | |
| 377 | A | A | -1.2336 | |
| 378 | A | A | -0.5395 | |
| 379 | A | A | -0.3872 | |
| 380 | C | A | 0.0000 | |
| 381 | H | A | -1.1634 | |
| 382 | P | A | -1.3989 | |
| 383 | P | A | -1.9669 | |
| 384 | K | A | -2.6986 | |
| 385 | D | A | -2.3889 | |
| 386 | H | A | -1.0518 | |
| 387 | I | A | 1.3023 | |
| 388 | V | A | 1.2739 | |
| 389 | N | A | 0.1523 | |
| 390 | Y | A | 0.5164 | |
| 391 | P | A | -0.1248 | |
| 392 | A | A | -0.2611 | |
| 393 | S | A | -0.3754 | |
| 394 | H | A | -0.6062 | |
| 395 | T | A | -0.3286 | |
| 396 | T | A | 0.0082 | |
| 397 | L | A | 0.5964 | |
| 398 | G | A | 0.2559 | |
| 399 | V | A | 1.0243 | |
| 400 | Q | A | -0.4943 | |
| 401 | D | A | -0.4906 | |
| 402 | I | A | 0.9353 | |
| 403 | S | A | 0.3574 | |
| 404 | T | A | 0.4572 | |
| 405 | T | A | 0.6846 | |
| 406 | A | A | 1.0450 | |
| 407 | M | A | 0.9201 | |
| 408 | S | A | 0.4452 | |
| 409 | W | A | 1.0470 | |
| 410 | V | A | 0.6898 | |
| 411 | Q | A | -0.9657 | |
| 412 | K | A | -1.0429 | |
| 413 | I | A | 0.4992 | |
| 414 | T | A | -0.1171 | |
| 415 | G | A | -1.0945 | |
| 416 | G | A | -0.9614 | |
| 417 | V | A | 0.1416 | |
| 418 | G | A | -1.4282 | |
| 419 | K | A | -3.1391 | |
| 420 | Q | A | -3.2179 | |
| 421 | Q | A | -3.4373 | |
| 422 | A | A | -2.9808 | |
| 423 | K | A | -4.0391 | |
| 424 | D | A | -3.8311 | |
| 425 | A | A | -2.7536 | |
| 426 | E | A | -2.9325 | |
| 427 | I | A | -0.7280 | |
| 428 | Q | A | -1.7897 | |
| 429 | N | A | -2.0557 | |
| 430 | S | A | -1.1356 | |
| 431 | S | A | -0.6471 | |
| 432 | L | A | 0.0209 | |
| 433 | S | A | -0.8646 | |
| 434 | Q | A | -1.6187 | |
| 435 | S | A | -0.8934 | |
| 436 | Y | A | 0.0739 | |
| 437 | S | A | -1.1158 | |
| 438 | R | A | -2.3956 | |
| 439 | H | A | -1.7634 |
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