| Chain sequence(s) |
A: MHHHHHHGGSGATLRVLMFPWLAYGHISPFLNIAKQLADRGFLIYLCSTLINLESIIKKIPEKYSESIRFVELHLPELPELPPHYHTTNGLPPHLNHTLHKALKMSKPNFSKILQNLKPDLVIYDILQPWAEHVVNEQNIPAVKILTSGAALFSYFFNFLKNPGVEFPFPAIYLPKVEQVKMREMFEKEPNEEDRLAEGNMQIMLMCTSRTIEAKYLDYCTELSNWKVVPVGPPFQDPITNDVDDMELIDWLGTKDENSTVFVCFGSEYFLSREDMEEVAFGLELSNVNFIWVARFPKGEEQNLEDVLPKGFLERIGERGRVLDKFAPQPRILNHPSTGGFISHCGWNSVMESLDFGVPIIAMPMHNDQPINAKLIVELGVAMEIVRDDDGNIHRGEITETLKDVITGETGEILRGKVRDISKNLKSIREEEMNAAAEELIQLCRNSNKYK
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:46)
[INFO] Main: Simulation completed successfully. (00:07:49)
|
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 | 0.1949 | |
| 2 | H | A | -1.3511 | |
| 3 | H | A | -2.0911 | |
| 4 | H | A | -2.5000 | |
| 5 | H | A | -2.7230 | |
| 6 | H | A | -2.5719 | |
| 7 | H | A | -2.2870 | |
| 8 | G | A | -1.7516 | |
| 9 | G | A | -1.3707 | |
| 10 | S | A | -0.9047 | |
| 11 | G | A | -0.7362 | |
| 12 | A | A | -0.3581 | |
| 13 | T | A | -0.3853 | |
| 14 | L | A | -0.4331 | |
| 15 | R | A | -0.8476 | |
| 16 | V | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | M | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | P | A | 0.0000 | |
| 21 | W | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | Y | A | -0.0525 | |
| 25 | G | A | -0.2223 | |
| 26 | H | A | 0.0315 | |
| 27 | I | A | 0.0000 | |
| 28 | S | A | -0.3005 | |
| 29 | P | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | N | A | 0.0640 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | K | A | -0.6527 | |
| 36 | Q | A | -1.0153 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | -1.4017 | |
| 39 | D | A | -1.9644 | |
| 40 | R | A | -1.6057 | |
| 41 | G | A | -1.0704 | |
| 42 | F | A | 0.0000 | |
| 43 | L | A | -0.8983 | |
| 44 | I | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | C | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | L | A | 0.6552 | |
| 51 | I | A | 0.2928 | |
| 52 | N | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | E | A | -1.0833 | |
| 55 | S | A | -0.6685 | |
| 56 | I | A | 0.0000 | |
| 57 | I | A | -0.2349 | |
| 58 | K | A | -2.2914 | |
| 59 | K | A | -2.2475 | |
| 60 | I | A | -1.5584 | |
| 61 | P | A | -2.1522 | |
| 62 | E | A | -3.3182 | |
| 63 | K | A | -3.1490 | |
| 64 | Y | A | 0.0000 | |
| 65 | S | A | -2.3898 | |
| 66 | E | A | -2.7568 | |
| 67 | S | A | -2.0290 | |
| 68 | I | A | 0.0000 | |
| 69 | R | A | -1.4771 | |
| 70 | F | A | 0.0536 | |
| 71 | V | A | -0.4185 | |
| 72 | E | A | -1.3932 | |
| 73 | L | A | 0.0000 | |
| 74 | H | A | -1.5432 | |
| 75 | L | A | 0.0000 | |
| 76 | P | A | -1.4408 | |
| 77 | E | A | -2.2288 | |
| 78 | L | A | -1.5667 | |
| 79 | P | A | -1.4731 | |
| 80 | E | A | -2.1202 | |
| 81 | L | A | 0.0000 | |
| 82 | P | A | -1.2147 | |
| 83 | P | A | -0.5580 | |
| 84 | H | A | -0.5262 | |
| 85 | Y | A | -0.7429 | |
| 86 | H | A | -0.1915 | |
| 87 | T | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | N | A | -0.4676 | |
| 90 | G | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | P | A | -1.0432 | |
| 94 | H | A | -1.4825 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.7663 | |
| 97 | H | A | -2.1253 | |
| 98 | T | A | -2.0162 | |
| 99 | L | A | 0.0000 | |
| 100 | H | A | -2.2813 | |
| 101 | K | A | -2.6033 | |
| 102 | A | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | K | A | -2.4155 | |
| 105 | M | A | -1.2887 | |
| 106 | S | A | 0.0000 | |
| 107 | K | A | -1.6177 | |
| 108 | P | A | -1.2663 | |
| 109 | N | A | -1.5876 | |
| 110 | F | A | 0.0000 | |
| 111 | S | A | -2.0110 | |
| 112 | K | A | -2.7690 | |
| 113 | I | A | -1.9320 | |
| 114 | L | A | 0.0000 | |
| 115 | Q | A | -2.9136 | |
| 116 | N | A | -2.6220 | |
| 117 | L | A | -1.8577 | |
| 118 | K | A | -2.8759 | |
| 119 | P | A | 0.0000 | |
| 120 | D | A | -1.6368 | |
| 121 | L | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | Y | A | 0.0000 | |
| 125 | D | A | 0.0000 | |
| 126 | I | A | 0.9589 | |
| 127 | L | A | 1.5477 | |
| 128 | Q | A | 0.0000 | |
| 129 | P | A | -0.2056 | |
| 130 | W | A | -0.6265 | |
| 131 | A | A | 0.0000 | |
| 132 | E | A | -1.4080 | |
| 133 | H | A | -2.1949 | |
| 134 | V | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | N | A | -2.7344 | |
| 137 | E | A | -3.0847 | |
| 138 | Q | A | -2.6569 | |
| 139 | N | A | -2.7875 | |
| 140 | I | A | -1.7794 | |
| 141 | P | A | -0.8940 | |
| 142 | A | A | -0.5960 | |
| 143 | V | A | 0.0000 | |
| 144 | K | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | S | A | -0.1424 | |
| 149 | G | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | S | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | F | A | 0.1992 | |
| 157 | F | A | 0.1456 | |
| 158 | N | A | 0.0000 | |
| 159 | F | A | -0.1386 | |
| 160 | L | A | -0.2886 | |
| 161 | K | A | -1.0938 | |
| 162 | N | A | -0.8402 | |
| 163 | P | A | -0.6294 | |
| 164 | G | A | -0.3739 | |
| 165 | V | A | 0.3128 | |
| 166 | E | A | -1.0675 | |
| 167 | F | A | 0.0000 | |
| 168 | P | A | -0.2249 | |
| 169 | F | A | -0.0739 | |
| 170 | P | A | -0.1861 | |
| 171 | A | A | 0.2280 | |
| 172 | I | A | 0.0000 | |
| 173 | Y | A | 0.5960 | |
| 174 | L | A | 0.0000 | |
| 175 | P | A | -0.1718 | |
| 176 | K | A | -0.8255 | |
| 177 | V | A | 0.5701 | |
| 178 | E | A | -0.7302 | |
| 179 | Q | A | -0.5832 | |
| 180 | V | A | 0.2555 | |
| 181 | K | A | -1.2208 | |
| 182 | M | A | 0.0000 | |
| 183 | R | A | -1.7561 | |
| 184 | E | A | -3.1291 | |
| 185 | M | A | -2.0761 | |
| 186 | F | A | -2.5637 | |
| 187 | E | A | -3.9379 | |
| 188 | K | A | -3.9490 | |
| 189 | E | A | -3.9473 | |
| 190 | P | A | -3.1045 | |
| 191 | N | A | -4.1678 | |
| 192 | E | A | -4.4348 | |
| 193 | E | A | -3.9719 | |
| 194 | D | A | -4.1948 | |
| 195 | R | A | -4.0059 | |
| 196 | L | A | -2.5038 | |
| 197 | A | A | -2.1609 | |
| 198 | E | A | -2.8201 | |
| 199 | G | A | -1.6337 | |
| 200 | N | A | -1.4676 | |
| 201 | M | A | -0.3198 | |
| 202 | Q | A | -0.5682 | |
| 203 | I | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | M | A | 0.0000 | |
| 207 | C | A | 0.0043 | |
| 208 | T | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | R | A | -1.4059 | |
| 211 | T | A | -1.0126 | |
| 212 | I | A | 0.0000 | |
| 213 | E | A | 0.0000 | |
| 214 | A | A | -1.2455 | |
| 215 | K | A | -1.5632 | |
| 216 | Y | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.2083 | |
| 219 | Y | A | -1.5182 | |
| 220 | C | A | 0.0000 | |
| 221 | T | A | -1.8188 | |
| 222 | E | A | -2.4782 | |
| 223 | L | A | -1.4080 | |
| 224 | S | A | 0.0000 | |
| 225 | N | A | -1.6870 | |
| 226 | W | A | -1.0255 | |
| 227 | K | A | -1.1960 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | P | A | -0.3041 | |
| 231 | V | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | P | A | 0.0000 | |
| 234 | P | A | 0.4258 | |
| 235 | F | A | 1.1438 | |
| 236 | Q | A | -0.1575 | |
| 237 | D | A | -1.1224 | |
| 238 | P | A | -0.1682 | |
| 239 | I | A | 0.6747 | |
| 240 | T | A | -0.7922 | |
| 241 | N | A | -1.6346 | |
| 242 | D | A | -2.0879 | |
| 243 | V | A | -0.6264 | |
| 244 | D | A | -2.2222 | |
| 245 | D | A | -1.6603 | |
| 246 | M | A | -1.4267 | |
| 247 | E | A | -2.6751 | |
| 248 | L | A | 0.0000 | |
| 249 | I | A | -1.3747 | |
| 250 | D | A | -2.4072 | |
| 251 | W | A | -1.7346 | |
| 252 | L | A | 0.0000 | |
| 253 | G | A | -1.9320 | |
| 254 | T | A | -1.5243 | |
| 255 | K | A | -2.2116 | |
| 256 | D | A | -3.0116 | |
| 257 | E | A | -3.0295 | |
| 258 | N | A | -1.9292 | |
| 259 | S | A | -1.4418 | |
| 260 | T | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | G | A | -0.0893 | |
| 267 | S | A | 0.0000 | |
| 268 | E | A | -0.4552 | |
| 269 | Y | A | -0.0053 | |
| 270 | F | A | 0.1116 | |
| 271 | L | A | -0.5811 | |
| 272 | S | A | -1.6783 | |
| 273 | R | A | -2.9770 | |
| 274 | E | A | -3.2889 | |
| 275 | D | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | E | A | -2.3124 | |
| 278 | E | A | -2.0035 | |
| 279 | V | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | F | A | -0.0111 | |
| 282 | G | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | -0.1668 | |
| 285 | L | A | 0.5443 | |
| 286 | S | A | 0.0000 | |
| 287 | N | A | -1.1066 | |
| 288 | V | A | 0.0000 | |
| 289 | N | A | -1.2997 | |
| 290 | F | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | W | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | R | A | -1.6238 | |
| 296 | F | A | -2.2378 | |
| 297 | P | A | -1.9736 | |
| 298 | K | A | -2.6237 | |
| 299 | G | A | -2.6018 | |
| 300 | E | A | -3.5708 | |
| 301 | E | A | -4.3061 | |
| 302 | Q | A | -3.8773 | |
| 303 | N | A | -3.4516 | |
| 304 | L | A | -2.5632 | |
| 305 | E | A | -3.3686 | |
| 306 | D | A | -3.4366 | |
| 307 | V | A | -2.6252 | |
| 308 | L | A | 0.0000 | |
| 309 | P | A | -1.6078 | |
| 310 | K | A | -2.7248 | |
| 311 | G | A | -2.0340 | |
| 312 | F | A | 0.0000 | |
| 313 | L | A | -1.7933 | |
| 314 | E | A | -2.7888 | |
| 315 | R | A | -2.7411 | |
| 316 | I | A | 0.0000 | |
| 317 | G | A | -2.1591 | |
| 318 | E | A | -2.5747 | |
| 319 | R | A | -1.8225 | |
| 320 | G | A | 0.0000 | |
| 321 | R | A | -1.0743 | |
| 322 | V | A | -0.5264 | |
| 323 | L | A | -0.9440 | |
| 324 | D | A | -2.5966 | |
| 325 | K | A | -1.6220 | |
| 326 | F | A | 0.1189 | |
| 327 | A | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | Q | A | -0.2702 | |
| 330 | P | A | -0.6009 | |
| 331 | R | A | -0.5876 | |
| 332 | I | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | N | A | -1.3164 | |
| 335 | H | A | -1.2005 | |
| 336 | P | A | -1.5999 | |
| 337 | S | A | 0.0000 | |
| 338 | T | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | H | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | G | A | -0.5139 | |
| 347 | W | A | 0.0000 | |
| 348 | N | A | -0.2738 | |
| 349 | S | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | E | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | D | A | 0.0000 | |
| 356 | F | A | -0.7954 | |
| 357 | G | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | P | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | M | A | 0.0000 | |
| 364 | P | A | -0.2556 | |
| 365 | M | A | -0.4787 | |
| 366 | H | A | -1.3312 | |
| 367 | N | A | -1.7926 | |
| 368 | D | A | -1.0928 | |
| 369 | Q | A | 0.0000 | |
| 370 | P | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | K | A | 0.1686 | |
| 375 | L | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | V | A | 0.5562 | |
| 378 | E | A | -0.2423 | |
| 379 | L | A | -0.0701 | |
| 380 | G | A | 0.1023 | |
| 381 | V | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | M | A | 0.2755 | |
| 384 | E | A | 0.2389 | |
| 385 | I | A | 0.0000 | |
| 386 | V | A | 0.7740 | |
| 387 | R | A | -1.2295 | |
| 388 | D | A | -2.3815 | |
| 389 | D | A | -2.9189 | |
| 390 | D | A | -3.2724 | |
| 391 | G | A | -2.1069 | |
| 392 | N | A | -2.2189 | |
| 393 | I | A | 0.0000 | |
| 394 | H | A | -1.6717 | |
| 395 | R | A | -1.4557 | |
| 396 | G | A | -1.3558 | |
| 397 | E | A | -1.7127 | |
| 398 | I | A | 0.0000 | |
| 399 | T | A | 0.0000 | |
| 400 | E | A | -2.5296 | |
| 401 | T | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | K | A | -2.1722 | |
| 404 | D | A | -2.4448 | |
| 405 | V | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | T | A | -1.3096 | |
| 408 | G | A | -1.9201 | |
| 409 | E | A | -2.3269 | |
| 410 | T | A | -1.1960 | |
| 411 | G | A | 0.0000 | |
| 412 | E | A | -1.9290 | |
| 413 | I | A | 0.2585 | |
| 414 | L | A | 0.0000 | |
| 415 | R | A | -1.4658 | |
| 416 | G | A | -1.4997 | |
| 417 | K | A | -1.7928 | |
| 418 | V | A | 0.0000 | |
| 419 | R | A | -3.1797 | |
| 420 | D | A | -3.5087 | |
| 421 | I | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | K | A | -3.5812 | |
| 424 | N | A | -3.1412 | |
| 425 | L | A | 0.0000 | |
| 426 | K | A | -2.2456 | |
| 427 | S | A | -2.1831 | |
| 428 | I | A | -2.0004 | |
| 429 | R | A | -1.9057 | |
| 430 | E | A | -3.1593 | |
| 431 | E | A | -2.9425 | |
| 432 | E | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | N | A | -2.4927 | |
| 435 | A | A | -1.6659 | |
| 436 | A | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | E | A | -1.9354 | |
| 439 | E | A | -1.3745 | |
| 440 | L | A | 0.0000 | |
| 441 | I | A | -1.1520 | |
| 442 | Q | A | -1.9792 | |
| 443 | L | A | -1.3125 | |
| 444 | C | A | 0.0000 | |
| 445 | R | A | -3.0708 | |
| 446 | N | A | -2.6685 | |
| 447 | S | A | -2.4206 | |
| 448 | N | A | -3.2605 | |
| 449 | K | A | -2.9192 | |
| 450 | Y | A | -1.1318 | |
| 451 | K | A | -2.2724 |
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