| Chain sequence(s) |
A: MSTDYAASRVSYEGAEFRLQRNDDRSQSLVITGAPESLTAAFSGRRDGDAFVAPATGENAAALRSVLPWLKPRRWGLETSAGTGDRLGLATPGHVQAFKDVAGVNPVFAQQSTREMGRTHRTPRNVLDDATWGAFQEGWTGGVGADADHQKTEESLSECAEAGFVFFTIDPGDEMDMAAHDDDEATVRSKAAAIDLSSLDTSADDIVSRYAGQTIELESGPLTLDEESVLRAVAKAGPALVRGLQLINHVEGLGVEHELEFAIDETDKPTTLVEHVVVVKELQRNGVELISFAPRWVGQFEKGVEYIGDREALAKNFSDHAEIARVLGPYKLSLHSGSDKFSIYPSFVEATRGVAHLKTAGTSWIEALRIVAAHDPQLLRDILKLSLESFEENRHSYHLSCDTTRIPTDVPDDKVGELVTALESRQVMHVGYGAVLDEYGVQIKDLLNTHEDEYAALMKEHFIAHIAPFGKR
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] (00:00:00)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:04:45)
[INFO] Main: Simulation completed successfully. (00:04:48)
|
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 | 0.0127 | |
| 2 | S | A | -1.1846 | |
| 3 | T | A | -1.3039 | |
| 4 | D | A | -2.2456 | |
| 5 | Y | A | -1.3504 | |
| 6 | A | A | -1.0870 | |
| 7 | A | A | -0.8649 | |
| 8 | S | A | 0.0000 | |
| 9 | R | A | -2.4443 | |
| 10 | V | A | -1.0157 | |
| 11 | S | A | -1.2021 | |
| 12 | Y | A | -0.9184 | |
| 13 | E | A | -2.0411 | |
| 14 | G | A | -1.5550 | |
| 15 | A | A | 0.0000 | |
| 16 | E | A | -1.5252 | |
| 17 | F | A | 0.0000 | |
| 18 | R | A | -1.9288 | |
| 19 | L | A | 0.0000 | |
| 20 | Q | A | -1.8987 | |
| 21 | R | A | -1.9102 | |
| 22 | N | A | -2.3421 | |
| 23 | D | A | -2.9303 | |
| 24 | D | A | -3.1483 | |
| 25 | R | A | -2.8843 | |
| 26 | S | A | -1.8140 | |
| 27 | Q | A | -1.4374 | |
| 28 | S | A | 0.0000 | |
| 29 | L | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | I | A | 0.0000 | |
| 32 | T | A | -1.4835 | |
| 33 | G | A | -1.5152 | |
| 34 | A | A | -1.4403 | |
| 35 | P | A | -1.4540 | |
| 36 | E | A | -1.9943 | |
| 37 | S | A | -1.0465 | |
| 38 | L | A | -0.7137 | |
| 39 | T | A | 0.0000 | |
| 40 | A | A | -0.5643 | |
| 41 | A | A | -0.4537 | |
| 42 | F | A | 0.0000 | |
| 43 | S | A | -1.0929 | |
| 44 | G | A | -1.9216 | |
| 45 | R | A | -3.4244 | |
| 46 | R | A | -4.1192 | |
| 47 | D | A | -3.8343 | |
| 48 | G | A | -2.8606 | |
| 49 | D | A | -2.9256 | |
| 50 | A | A | -2.5096 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | -1.8227 | |
| 53 | A | A | 0.0000 | |
| 54 | P | A | -0.8409 | |
| 55 | A | A | -0.6803 | |
| 56 | T | A | -0.9974 | |
| 57 | G | A | -1.6812 | |
| 58 | E | A | -2.1528 | |
| 59 | N | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | A | A | -1.0671 | |
| 62 | A | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | S | A | -0.4011 | |
| 66 | V | A | -0.2188 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | -0.7678 | |
| 69 | W | A | -0.7476 | |
| 70 | L | A | 0.0000 | |
| 71 | K | A | -1.7891 | |
| 72 | P | A | 0.0000 | |
| 73 | R | A | -2.9002 | |
| 74 | R | A | -2.2528 | |
| 75 | W | A | 0.0000 | |
| 76 | G | A | -0.8646 | |
| 77 | L | A | -0.4572 | |
| 78 | E | A | -1.6650 | |
| 79 | T | A | -1.1037 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | T | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | R | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | -0.3185 | |
| 89 | L | A | 0.0326 | |
| 90 | A | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | Q | A | -1.5134 | |
| 97 | A | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | K | A | -2.4573 | |
| 100 | D | A | -2.4609 | |
| 101 | V | A | -1.6238 | |
| 102 | A | A | -1.5136 | |
| 103 | G | A | -1.4155 | |
| 104 | V | A | 0.0000 | |
| 105 | N | A | -0.6535 | |
| 106 | P | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | Q | A | 0.0000 | |
| 111 | Q | A | 0.0000 | |
| 112 | S | A | 0.0000 | |
| 113 | T | A | -0.6303 | |
| 114 | R | A | -0.8563 | |
| 115 | E | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | G | A | -1.2271 | |
| 118 | R | A | -1.3054 | |
| 119 | T | A | -1.2533 | |
| 120 | H | A | -1.6768 | |
| 121 | R | A | -1.3291 | |
| 122 | T | A | -1.4852 | |
| 123 | P | A | 0.0000 | |
| 124 | R | A | -2.7857 | |
| 125 | N | A | -1.8842 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | D | A | -1.4426 | |
| 129 | D | A | -1.0167 | |
| 130 | A | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | W | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | Q | A | 0.0000 | |
| 137 | E | A | -0.7114 | |
| 138 | G | A | -0.7037 | |
| 139 | W | A | -0.3698 | |
| 140 | T | A | -0.2313 | |
| 141 | G | A | -0.6562 | |
| 142 | G | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | D | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | H | A | -0.4438 | |
| 150 | Q | A | 0.0000 | |
| 151 | K | A | -1.2277 | |
| 152 | T | A | -1.3043 | |
| 153 | E | A | -2.1091 | |
| 154 | E | A | -2.6864 | |
| 155 | S | A | -2.0357 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | -2.1653 | |
| 158 | E | A | -3.2765 | |
| 159 | C | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | E | A | -2.5945 | |
| 162 | A | A | 0.0000 | |
| 163 | G | A | -1.7668 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | F | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | G | A | -1.8912 | |
| 173 | D | A | -2.6923 | |
| 174 | E | A | -2.2314 | |
| 175 | M | A | 0.0000 | |
| 176 | D | A | -1.1288 | |
| 177 | M | A | -1.4063 | |
| 178 | A | A | -1.2079 | |
| 179 | A | A | 0.0000 | |
| 180 | H | A | -1.8459 | |
| 181 | D | A | -2.7731 | |
| 182 | D | A | -2.7505 | |
| 183 | D | A | -3.5550 | |
| 184 | E | A | -3.5669 | |
| 185 | A | A | -1.9866 | |
| 186 | T | A | -1.9264 | |
| 187 | V | A | 0.0000 | |
| 188 | R | A | -2.2631 | |
| 189 | S | A | -1.0106 | |
| 190 | K | A | -0.9675 | |
| 191 | A | A | 0.0000 | |
| 192 | A | A | -0.8405 | |
| 193 | A | A | -0.5220 | |
| 194 | I | A | -0.6552 | |
| 195 | D | A | -1.7145 | |
| 196 | L | A | 0.0000 | |
| 197 | S | A | -1.4686 | |
| 198 | S | A | -1.2601 | |
| 199 | L | A | 0.0000 | |
| 200 | D | A | -2.1993 | |
| 201 | T | A | 0.0000 | |
| 202 | S | A | -1.6854 | |
| 203 | A | A | 0.0000 | |
| 204 | D | A | -2.3050 | |
| 205 | D | A | -2.1861 | |
| 206 | I | A | 0.0000 | |
| 207 | V | A | -1.6948 | |
| 208 | S | A | -1.5548 | |
| 209 | R | A | -1.2182 | |
| 210 | Y | A | 0.0000 | |
| 211 | A | A | -1.7761 | |
| 212 | G | A | -1.5261 | |
| 213 | Q | A | -1.5651 | |
| 214 | T | A | -1.0948 | |
| 215 | I | A | 0.0000 | |
| 216 | E | A | -2.1853 | |
| 217 | L | A | -1.7621 | |
| 218 | E | A | -2.3810 | |
| 219 | S | A | -1.6868 | |
| 220 | G | A | -1.3717 | |
| 221 | P | A | -1.3565 | |
| 222 | L | A | -0.7080 | |
| 223 | T | A | -1.0448 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -2.2557 | |
| 226 | E | A | -2.9014 | |
| 227 | E | A | -2.9649 | |
| 228 | S | A | -1.6192 | |
| 229 | V | A | 0.0000 | |
| 230 | L | A | -1.7150 | |
| 231 | R | A | -1.8232 | |
| 232 | A | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | K | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | P | A | -0.9775 | |
| 239 | A | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | V | A | -0.5187 | |
| 242 | R | A | -0.9189 | |
| 243 | G | A | 0.0000 | |
| 244 | L | A | -0.7165 | |
| 245 | Q | A | -1.4173 | |
| 246 | L | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | N | A | -2.3667 | |
| 249 | H | A | -1.9958 | |
| 250 | V | A | 0.0000 | |
| 251 | E | A | -2.7782 | |
| 252 | G | A | -1.6152 | |
| 253 | L | A | -1.0966 | |
| 254 | G | A | -1.1400 | |
| 255 | V | A | -1.2050 | |
| 256 | E | A | -2.3733 | |
| 257 | H | A | -1.6765 | |
| 258 | E | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | E | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | E | A | -1.7906 | |
| 266 | T | A | 0.0000 | |
| 267 | D | A | -2.5110 | |
| 268 | K | A | -1.8857 | |
| 269 | P | A | -0.9876 | |
| 270 | T | A | 0.0000 | |
| 271 | T | A | -0.1350 | |
| 272 | L | A | 0.1473 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | 0.0000 | |
| 275 | H | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | K | A | -0.9721 | |
| 281 | E | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | Q | A | -1.7103 | |
| 284 | R | A | -1.6184 | |
| 285 | N | A | -1.8128 | |
| 286 | G | A | -1.5633 | |
| 287 | V | A | 0.0000 | |
| 288 | E | A | -2.1399 | |
| 289 | L | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | P | A | 0.0000 | |
| 295 | R | A | -0.9312 | |
| 296 | W | A | 0.0000 | |
| 297 | V | A | -0.7302 | |
| 298 | G | A | -0.9625 | |
| 299 | Q | A | -1.1509 | |
| 300 | F | A | 0.0000 | |
| 301 | E | A | 0.0000 | |
| 302 | K | A | -0.6969 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | E | A | -0.3486 | |
| 306 | Y | A | 0.0000 | |
| 307 | I | A | -0.1115 | |
| 308 | G | A | -1.5400 | |
| 309 | D | A | -2.9006 | |
| 310 | R | A | -3.0256 | |
| 311 | E | A | -3.3978 | |
| 312 | A | A | -2.4827 | |
| 313 | L | A | 0.0000 | |
| 314 | A | A | -2.3896 | |
| 315 | K | A | -2.6027 | |
| 316 | N | A | -1.5823 | |
| 317 | F | A | 0.0000 | |
| 318 | S | A | -1.6689 | |
| 319 | D | A | -1.2462 | |
| 320 | H | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | E | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | R | A | -0.6895 | |
| 326 | V | A | 0.1044 | |
| 327 | L | A | 0.1050 | |
| 328 | G | A | -0.5468 | |
| 329 | P | A | -0.4087 | |
| 330 | Y | A | 0.0000 | |
| 331 | K | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | H | A | 0.0000 | |
| 336 | S | A | -0.2995 | |
| 337 | G | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | D | A | -0.2135 | |
| 340 | K | A | 0.0000 | |
| 341 | F | A | 0.5038 | |
| 342 | S | A | -0.1032 | |
| 343 | I | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | P | A | -0.5683 | |
| 346 | S | A | -1.5809 | |
| 347 | F | A | 0.0000 | |
| 348 | V | A | -1.2326 | |
| 349 | E | A | -2.3901 | |
| 350 | A | A | -1.7307 | |
| 351 | T | A | 0.0000 | |
| 352 | R | A | -2.3830 | |
| 353 | G | A | -1.5909 | |
| 354 | V | A | -0.6663 | |
| 355 | A | A | 0.0000 | |
| 356 | H | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | 0.0000 | |
| 359 | T | A | 0.0000 | |
| 360 | A | A | -0.0283 | |
| 361 | G | A | 0.0000 | |
| 362 | T | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | W | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | E | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | R | A | -0.8895 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | -1.1176 | |
| 374 | H | A | -0.8822 | |
| 375 | D | A | -1.3923 | |
| 376 | P | A | -2.1417 | |
| 377 | Q | A | -1.9790 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | R | A | -1.7772 | |
| 381 | D | A | -1.3937 | |
| 382 | I | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | K | A | -1.7280 | |
| 385 | L | A | -1.3344 | |
| 386 | S | A | 0.0000 | |
| 387 | L | A | -1.4256 | |
| 388 | E | A | -2.4606 | |
| 389 | S | A | -2.1182 | |
| 390 | F | A | 0.0000 | |
| 391 | E | A | -3.5640 | |
| 392 | E | A | -3.5421 | |
| 393 | N | A | 0.0000 | |
| 394 | R | A | -2.9879 | |
| 395 | H | A | -2.6399 | |
| 396 | S | A | -1.7366 | |
| 397 | Y | A | 0.0000 | |
| 398 | H | A | -1.9231 | |
| 399 | L | A | 0.0000 | |
| 400 | S | A | -0.4180 | |
| 401 | C | A | -0.5559 | |
| 402 | D | A | -1.0168 | |
| 403 | T | A | -0.9245 | |
| 404 | T | A | -1.1894 | |
| 405 | R | A | -2.0424 | |
| 406 | I | A | 0.0000 | |
| 407 | P | A | -1.2711 | |
| 408 | T | A | -1.4622 | |
| 409 | D | A | -2.2930 | |
| 410 | V | A | 0.0000 | |
| 411 | P | A | -2.4841 | |
| 412 | D | A | -3.8401 | |
| 413 | D | A | -3.5250 | |
| 414 | K | A | -3.4436 | |
| 415 | V | A | 0.0000 | |
| 416 | G | A | -2.2161 | |
| 417 | E | A | -2.6576 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | T | A | -0.5998 | |
| 421 | A | A | -0.3837 | |
| 422 | L | A | 0.2228 | |
| 423 | E | A | -0.4709 | |
| 424 | S | A | 0.0000 | |
| 425 | R | A | 0.0000 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | Y | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | A | A | -1.2103 | |
| 435 | V | A | 0.0000 | |
| 436 | L | A | -1.2104 | |
| 437 | D | A | -2.4541 | |
| 438 | E | A | -2.2937 | |
| 439 | Y | A | -0.9381 | |
| 440 | G | A | 0.0000 | |
| 441 | V | A | 0.2703 | |
| 442 | Q | A | -0.8570 | |
| 443 | I | A | 0.0000 | |
| 444 | K | A | -1.1578 | |
| 445 | D | A | -2.0717 | |
| 446 | L | A | -1.1780 | |
| 447 | L | A | 0.0000 | |
| 448 | N | A | -1.8011 | |
| 449 | T | A | -1.4268 | |
| 450 | H | A | -1.6169 | |
| 451 | E | A | -1.8670 | |
| 452 | D | A | -2.4580 | |
| 453 | E | A | -1.9496 | |
| 454 | Y | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | A | A | -1.4009 | |
| 457 | L | A | -1.1137 | |
| 458 | M | A | 0.0000 | |
| 459 | K | A | -1.7219 | |
| 460 | E | A | -1.8795 | |
| 461 | H | A | -0.9461 | |
| 462 | F | A | 0.0000 | |
| 463 | I | A | -0.7954 | |
| 464 | A | A | -0.1381 | |
| 465 | H | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | A | A | -0.5920 | |
| 468 | P | A | -0.5850 | |
| 469 | F | A | 0.0000 | |
| 470 | G | A | -1.5321 | |
| 471 | K | A | -2.6779 | |
| 472 | R | A | -2.6867 |
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