| Chain sequence(s) |
A: HEKARGIIIAALDEVAWLYNIRGDDVHYSPVVHSYSIVTLHSAFFYVDKRKVSVEVQNYMTDNGIDIKDYNMVQSDASLLASGQLKGSAVNGSSYGENDMNENSKVWIDSNSCCLALYSKLDQDQVLMLQSPIALPKAVKNPVELDGLRKAHIRDGAAVVQYLAWLDNQMQENYGASGYFSEAKGSQKKQHMEVKLTEVSVSDKLEGFRASKEHFKGLSFPTISSVGPNAAVIHYSPEASSCAELDADKIYLCDSGAQYLDGTTDITRTVHFGKPSEHEKSCYTAVLKGHIALDSAVFPNGTTGHALDILARTPLWRSGLDYRHGTGHGIGSYLNVHEGPHLISFRPSARNIPLQASMTVTDEPGYYEDGSFGIRLENVLIVKEANTKYNFGDKGYLAFEHITWAPYQTKLIDTTLLTPAEIEWVNAYHADCRKILQPYLNEQEKEWLRKATEPIAVSCC
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IV352A,VM457A,SR458A,DE62A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.261067 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 (00:08:27)
[INFO] FoldX: Starting FoldX energy minimalization (00:09:06)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:42)
[INFO] Main: Simulation completed successfully. (00:13:47)
|
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 | H | A | -1.5958 | |
| 2 | E | A | -1.6708 | |
| 3 | K | A | -2.7410 | |
| 4 | A | A | 0.0000 | |
| 5 | R | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | I | A | 0.4829 | |
| 8 | I | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | A | A | -0.0403 | |
| 11 | A | A | -0.1205 | |
| 12 | L | A | 0.1459 | |
| 13 | D | A | -0.0835 | |
| 14 | E | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | W | A | -0.0358 | |
| 18 | L | A | 0.3150 | |
| 19 | Y | A | 0.0000 | |
| 20 | N | A | -1.0729 | |
| 21 | I | A | 0.0000 | |
| 22 | R | A | -1.1058 | |
| 23 | G | A | -1.6545 | |
| 24 | D | A | -2.3703 | |
| 25 | D | A | -1.6025 | |
| 26 | V | A | -0.5665 | |
| 27 | H | A | -0.9038 | |
| 28 | Y | A | -0.2079 | |
| 29 | S | A | -0.6180 | |
| 30 | P | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | H | A | -0.8822 | |
| 34 | S | A | 0.0000 | |
| 35 | Y | A | 0.0162 | |
| 36 | S | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | V | A | 0.5812 | |
| 39 | T | A | 0.2367 | |
| 40 | L | A | 0.6829 | |
| 41 | H | A | -0.6203 | |
| 42 | S | A | -0.4476 | |
| 43 | A | A | -0.2524 | |
| 44 | F | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | Y | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | D | A | -2.3474 | |
| 49 | K | A | -3.1676 | |
| 50 | R | A | -3.3398 | |
| 51 | K | A | -2.6432 | |
| 52 | V | A | -1.8218 | |
| 53 | S | A | -0.9519 | |
| 54 | V | A | 0.1567 | |
| 55 | E | A | -1.5116 | |
| 56 | V | A | -1.3563 | |
| 57 | Q | A | -1.7814 | |
| 58 | N | A | -2.3422 | |
| 59 | Y | A | -1.7587 | |
| 60 | M | A | 0.0000 | |
| 61 | T | A | -2.1429 | |
| 62 | E | A | -2.7909 | mutated: DE62A |
| 63 | N | A | -2.2503 | |
| 64 | G | A | -1.4606 | |
| 65 | I | A | -0.9138 | |
| 66 | D | A | -0.7326 | |
| 67 | I | A | -0.5789 | |
| 68 | K | A | -0.8595 | |
| 69 | D | A | -1.5536 | |
| 70 | Y | A | -0.9225 | |
| 71 | N | A | -1.3631 | |
| 72 | M | A | -0.6291 | |
| 73 | V | A | 0.0000 | |
| 74 | Q | A | -1.0712 | |
| 75 | S | A | -0.6149 | |
| 76 | D | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | S | A | -0.7584 | |
| 79 | L | A | -0.4023 | |
| 80 | L | A | 0.0000 | |
| 81 | A | A | -0.9710 | |
| 82 | S | A | -0.6609 | |
| 83 | G | A | -0.8576 | |
| 84 | Q | A | -1.4313 | |
| 85 | L | A | -1.1034 | |
| 86 | K | A | -2.1768 | |
| 87 | G | A | -1.1458 | |
| 88 | S | A | -0.7360 | |
| 89 | A | A | -1.0339 | |
| 90 | V | A | -0.9923 | |
| 91 | N | A | -1.5451 | |
| 92 | G | A | -1.0690 | |
| 93 | S | A | -1.0265 | |
| 94 | S | A | -1.3157 | |
| 95 | Y | A | -1.3892 | |
| 96 | G | A | -1.7320 | |
| 97 | E | A | -3.0875 | |
| 98 | N | A | -3.2485 | |
| 99 | D | A | -2.7080 | |
| 100 | M | A | -2.5038 | |
| 101 | N | A | -3.3589 | |
| 102 | E | A | -3.6548 | |
| 103 | N | A | -2.5167 | |
| 104 | S | A | -1.9546 | |
| 105 | K | A | -1.9680 | |
| 106 | V | A | 0.0000 | |
| 107 | W | A | 0.1862 | |
| 108 | I | A | 0.0000 | |
| 109 | D | A | 0.0000 | |
| 110 | S | A | -0.3589 | |
| 111 | N | A | -1.3355 | |
| 112 | S | A | -0.5520 | |
| 113 | C | A | 0.3062 | |
| 114 | C | A | 0.8828 | |
| 115 | L | A | 1.6037 | |
| 116 | A | A | 0.5933 | |
| 117 | L | A | 0.0000 | |
| 118 | Y | A | -0.0401 | |
| 119 | S | A | -0.5992 | |
| 120 | K | A | -1.3181 | |
| 121 | L | A | 0.0000 | |
| 122 | D | A | -3.2192 | |
| 123 | Q | A | -3.0035 | |
| 124 | D | A | -3.0682 | |
| 125 | Q | A | -2.3118 | |
| 126 | V | A | -1.0067 | |
| 127 | L | A | -0.0845 | |
| 128 | M | A | 0.6364 | |
| 129 | L | A | 0.6193 | |
| 130 | Q | A | -0.6610 | |
| 131 | S | A | 0.0000 | |
| 132 | P | A | -0.1413 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | L | A | 0.4075 | |
| 136 | P | A | 0.2415 | |
| 137 | K | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | V | A | 0.1988 | |
| 140 | K | A | 0.0000 | |
| 141 | N | A | -0.8099 | |
| 142 | P | A | -0.2678 | |
| 143 | V | A | 0.6674 | |
| 144 | E | A | -0.4190 | |
| 145 | L | A | -0.7220 | |
| 146 | D | A | -1.4701 | |
| 147 | G | A | -0.7974 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -1.3749 | |
| 150 | K | A | -1.8657 | |
| 151 | A | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | I | A | -0.0758 | |
| 154 | R | A | -0.5906 | |
| 155 | D | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | Q | A | -0.3537 | |
| 162 | Y | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | -0.5765 | |
| 165 | W | A | -0.3241 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | 0.0000 | |
| 168 | N | A | -0.9359 | |
| 169 | Q | A | -0.9100 | |
| 170 | M | A | 0.0000 | |
| 171 | Q | A | -1.8194 | |
| 172 | E | A | -2.1110 | |
| 173 | N | A | 0.0000 | |
| 174 | Y | A | -1.7673 | |
| 175 | G | A | -2.0417 | |
| 176 | A | A | 0.0000 | |
| 177 | S | A | -1.6523 | |
| 178 | G | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | F | A | -0.7609 | |
| 181 | S | A | -1.4367 | |
| 182 | E | A | -2.2747 | |
| 183 | A | A | -1.8810 | |
| 184 | K | A | -2.5476 | |
| 185 | G | A | -2.2538 | |
| 186 | S | A | -2.2556 | |
| 187 | Q | A | -3.0389 | |
| 188 | K | A | -3.6135 | |
| 189 | K | A | -3.5665 | |
| 190 | Q | A | -3.0532 | |
| 191 | H | A | -2.3833 | |
| 192 | M | A | -1.9044 | |
| 193 | E | A | -1.9815 | |
| 194 | V | A | -0.5581 | |
| 195 | K | A | -1.7769 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -1.3383 | |
| 198 | E | A | 0.0000 | |
| 199 | V | A | -0.8169 | |
| 200 | S | A | -0.9199 | |
| 201 | V | A | 0.0000 | |
| 202 | S | A | -1.1968 | |
| 203 | D | A | -2.3718 | |
| 204 | K | A | -1.7751 | |
| 205 | L | A | 0.0000 | |
| 206 | E | A | -1.7588 | |
| 207 | G | A | -1.4052 | |
| 208 | F | A | -0.6935 | |
| 209 | R | A | 0.0000 | |
| 210 | A | A | -0.9515 | |
| 211 | S | A | -0.8315 | |
| 212 | K | A | -1.2695 | |
| 213 | E | A | -2.1507 | |
| 214 | H | A | -1.2543 | |
| 215 | F | A | -0.9568 | |
| 216 | K | A | -1.3664 | |
| 217 | G | A | -0.7594 | |
| 218 | L | A | -0.1768 | |
| 219 | S | A | 0.0000 | |
| 220 | F | A | 0.0822 | |
| 221 | P | A | -0.0357 | |
| 222 | T | A | -0.2363 | |
| 223 | I | A | 0.2298 | |
| 224 | S | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | P | A | -0.8157 | |
| 229 | N | A | -0.1719 | |
| 230 | A | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | V | A | 0.9604 | |
| 233 | I | A | 0.3332 | |
| 234 | H | A | -0.3124 | |
| 235 | Y | A | 0.0270 | |
| 236 | S | A | -0.5090 | |
| 237 | P | A | -1.0096 | |
| 238 | E | A | -1.8544 | |
| 239 | A | A | -0.8816 | |
| 240 | S | A | -0.8011 | |
| 241 | S | A | -0.9506 | |
| 242 | C | A | -0.9472 | |
| 243 | A | A | -1.0988 | |
| 244 | E | A | -2.0547 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -2.2638 | |
| 247 | A | A | -2.1084 | |
| 248 | D | A | -2.9707 | |
| 249 | K | A | -2.3102 | |
| 250 | I | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | C | A | 0.0000 | |
| 254 | D | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | Q | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | L | A | 0.2714 | |
| 261 | D | A | -0.4736 | |
| 262 | G | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | D | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | R | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | H | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | K | A | -2.5368 | |
| 275 | P | A | 0.0000 | |
| 276 | S | A | -1.9878 | |
| 277 | E | A | -2.5663 | |
| 278 | H | A | -1.6734 | |
| 279 | E | A | 0.0000 | |
| 280 | K | A | -1.3107 | |
| 281 | S | A | -0.9735 | |
| 282 | C | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | K | A | -0.0706 | |
| 289 | G | A | 0.0000 | |
| 290 | H | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | A | A | 0.3002 | |
| 293 | L | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | S | A | 0.2002 | |
| 296 | A | A | 0.8111 | |
| 297 | V | A | 1.1553 | |
| 298 | F | A | 0.0000 | |
| 299 | P | A | -0.6446 | |
| 300 | N | A | -1.4039 | |
| 301 | G | A | -0.9823 | |
| 302 | T | A | -0.6805 | |
| 303 | T | A | -1.0483 | |
| 304 | G | A | 0.0000 | |
| 305 | H | A | -0.5219 | |
| 306 | A | A | 0.2072 | |
| 307 | L | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | I | A | 1.7302 | |
| 310 | L | A | 1.0021 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | 0.0000 | |
| 313 | T | A | -0.0470 | |
| 314 | P | A | -0.4770 | |
| 315 | L | A | 0.0000 | |
| 316 | W | A | -0.6167 | |
| 317 | R | A | -1.8776 | |
| 318 | S | A | -1.2209 | |
| 319 | G | A | -1.0450 | |
| 320 | L | A | -0.8845 | |
| 321 | D | A | -1.8138 | |
| 322 | Y | A | 0.0000 | |
| 323 | R | A | -1.9983 | |
| 324 | H | A | -1.0789 | |
| 325 | G | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | H | A | -0.3839 | |
| 329 | G | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | Y | A | 0.0178 | |
| 334 | L | A | 0.0000 | |
| 335 | N | A | -0.4832 | |
| 336 | V | A | 0.0000 | |
| 337 | H | A | -1.1303 | |
| 338 | E | A | 0.0000 | |
| 339 | G | A | -0.4104 | |
| 340 | P | A | -0.4651 | |
| 341 | H | A | 0.0000 | |
| 342 | L | A | -0.4553 | |
| 343 | I | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | F | A | 0.5513 | |
| 346 | R | A | -0.9820 | |
| 347 | P | A | -1.3653 | |
| 348 | S | A | -1.3826 | |
| 349 | A | A | 0.0000 | |
| 350 | R | A | -2.5802 | |
| 351 | N | A | -2.1920 | |
| 352 | V | A | -1.0712 | mutated: IV352A |
| 353 | P | A | -0.9870 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -0.8637 | |
| 356 | A | A | -0.9304 | |
| 357 | S | A | -0.7289 | |
| 358 | M | A | 0.0000 | |
| 359 | T | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | D | A | 0.0000 | |
| 363 | E | A | -0.2210 | |
| 364 | P | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | E | A | -1.3251 | |
| 369 | D | A | -2.0627 | |
| 370 | G | A | -1.3993 | |
| 371 | S | A | -1.1030 | |
| 372 | F | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | N | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | K | A | -1.6755 | |
| 384 | E | A | -2.3689 | |
| 385 | A | A | -1.4716 | |
| 386 | N | A | -1.8529 | |
| 387 | T | A | -0.9653 | |
| 388 | K | A | -1.3362 | |
| 389 | Y | A | 0.1464 | |
| 390 | N | A | -0.8585 | |
| 391 | F | A | 0.5283 | |
| 392 | G | A | -0.9843 | |
| 393 | D | A | -2.3137 | |
| 394 | K | A | -2.4823 | |
| 395 | G | A | -1.7770 | |
| 396 | Y | A | -0.9145 | |
| 397 | L | A | 0.0000 | |
| 398 | A | A | -0.3226 | |
| 399 | F | A | -0.2446 | |
| 400 | E | A | -0.6909 | |
| 401 | H | A | -0.3390 | |
| 402 | I | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | W | A | -0.0342 | |
| 405 | A | A | 0.0000 | |
| 406 | P | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | Q | A | 0.0000 | |
| 409 | T | A | -0.3004 | |
| 410 | K | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | D | A | -0.7176 | |
| 414 | T | A | -0.2861 | |
| 415 | T | A | 0.0603 | |
| 416 | L | A | 0.5374 | |
| 417 | L | A | 0.0000 | |
| 418 | T | A | -0.3789 | |
| 419 | P | A | -0.6921 | |
| 420 | A | A | -0.7515 | |
| 421 | E | A | -0.7286 | |
| 422 | I | A | 0.0000 | |
| 423 | E | A | -1.8519 | |
| 424 | W | A | -0.9410 | |
| 425 | V | A | 0.0000 | |
| 426 | N | A | -1.2593 | |
| 427 | A | A | -0.8227 | |
| 428 | Y | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | A | A | -1.3446 | |
| 431 | D | A | -1.5821 | |
| 432 | C | A | 0.0000 | |
| 433 | R | A | -2.2044 | |
| 434 | K | A | -2.2976 | |
| 435 | I | A | -0.7651 | |
| 436 | L | A | 0.0000 | |
| 437 | Q | A | -1.8214 | |
| 438 | P | A | -0.6841 | |
| 439 | Y | A | 0.4603 | |
| 440 | L | A | 0.0000 | |
| 441 | N | A | -2.5222 | |
| 442 | E | A | -3.5658 | |
| 443 | Q | A | -3.1666 | |
| 444 | E | A | -2.5061 | |
| 445 | K | A | -3.0936 | |
| 446 | E | A | -3.2785 | |
| 447 | W | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | R | A | -2.7118 | |
| 450 | K | A | -1.9822 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | 0.0000 | |
| 453 | E | A | -1.8850 | |
| 454 | P | A | -1.1914 | |
| 455 | I | A | -0.6116 | |
| 456 | A | A | -0.4224 | |
| 457 | M | A | -0.2434 | mutated: VM457A |
| 458 | R | A | -0.8674 | mutated: SR458A |
| 459 | C | A | 0.3579 | |
| 460 | C | A | 0.6425 |
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