| Chain sequence(s) |
A: MERTVVETRYGRLRGVVNGSVFVWKGIPYAKAPVGERRFLPPEPPDAWDGVREAAAFGPVVMQPSDPIFSGLLGRMSEAPSEDGLYLNIWSPAADGKKRPVLFWIHGGAFLFGSGSSPWYDGTALAKHGDVVVVTINYRMNVFGFLHLGDLFGEAYAQAGNLGILDQVAALRWVKENIEAFGGDPDNITIFGESAGAASVGVLLSLSEASGLFRRAILQSGSGALLLRSPKTAMAMTERILERAGIRPGDRGRLLSIPAEELLRSALSLGPGIMYGPVVDGRVLRRHPIEALCDGAASGIPILIGVTKDEYNLFTLTDPSWMKLGEHELLDRINREVGPVPEAAIRYYAETAEPSAPDWQTWLRIMTYRVFVEGMLRTADAQAAHGADVYMYRFDYETPVFGGQLKACHALELPFVFHNLHQPGVANFVGNRPEREAIANEMHYAWLSFARTGDPNGAHLPEKWPIYTNERKPVFVFSAASHVEDDPFGCERAAWMTRA
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 (00:05:01)
[INFO] Main: Simulation completed successfully. (00:05:06)
|
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 | 0.0731 | |
| 2 | E | A | -1.9747 | |
| 3 | R | A | -1.9762 | |
| 4 | T | A | 0.0000 | |
| 5 | V | A | -1.0998 | |
| 6 | V | A | 0.0000 | |
| 7 | E | A | -2.1057 | |
| 8 | T | A | -1.8299 | |
| 9 | R | A | -2.3649 | |
| 10 | Y | A | -1.7524 | |
| 11 | G | A | 0.0000 | |
| 12 | R | A | -1.9251 | |
| 13 | L | A | 0.0000 | |
| 14 | R | A | -1.4307 | |
| 15 | G | A | 0.0000 | |
| 16 | V | A | 0.9746 | |
| 17 | V | A | 1.2510 | |
| 18 | N | A | -0.3758 | |
| 19 | G | A | -0.6964 | |
| 20 | S | A | -0.7227 | |
| 21 | V | A | 0.0000 | |
| 22 | F | A | 0.3758 | |
| 23 | V | A | 0.0000 | |
| 24 | W | A | 0.0000 | |
| 25 | K | A | -0.2225 | |
| 26 | G | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | K | A | -1.1888 | |
| 32 | A | A | -0.6666 | |
| 33 | P | A | 0.0000 | |
| 34 | V | A | -0.2127 | |
| 35 | G | A | -0.9964 | |
| 36 | E | A | -2.1339 | |
| 37 | R | A | -1.4332 | |
| 38 | R | A | 0.0000 | |
| 39 | F | A | 0.0000 | |
| 40 | L | A | -0.3966 | |
| 41 | P | A | -0.3045 | |
| 42 | P | A | -0.6618 | |
| 43 | E | A | -1.4151 | |
| 44 | P | A | -1.2988 | |
| 45 | P | A | 0.0000 | |
| 46 | D | A | -2.1371 | |
| 47 | A | A | -1.5171 | |
| 48 | W | A | -1.4269 | |
| 49 | D | A | -1.9492 | |
| 50 | G | A | -1.4711 | |
| 51 | V | A | -1.3324 | |
| 52 | R | A | -1.8036 | |
| 53 | E | A | -2.1579 | |
| 54 | A | A | 0.0000 | |
| 55 | A | A | -0.2162 | |
| 56 | A | A | -0.0566 | |
| 57 | F | A | 0.2733 | |
| 58 | G | A | -0.0170 | |
| 59 | P | A | -0.2585 | |
| 60 | V | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | M | A | 0.0000 | |
| 63 | Q | A | 0.0000 | |
| 64 | P | A | -0.5061 | |
| 65 | S | A | -0.1611 | |
| 66 | D | A | -0.0781 | |
| 67 | P | A | 0.2587 | |
| 68 | I | A | 1.8313 | |
| 69 | F | A | 1.0753 | |
| 70 | S | A | -0.1102 | |
| 71 | G | A | -0.1892 | |
| 72 | L | A | 0.1404 | |
| 73 | L | A | 0.0816 | |
| 74 | G | A | 0.0000 | |
| 75 | R | A | -1.7198 | |
| 76 | M | A | -0.9168 | |
| 77 | S | A | -0.7410 | |
| 78 | E | A | -0.6167 | |
| 79 | A | A | -0.2445 | |
| 80 | P | A | -0.5337 | |
| 81 | S | A | -0.5358 | |
| 82 | E | A | -0.5707 | |
| 83 | D | A | -0.5340 | |
| 84 | G | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | Y | A | 0.0173 | |
| 87 | L | A | 0.0000 | |
| 88 | N | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | P | A | -0.7784 | |
| 93 | A | A | -0.6483 | |
| 94 | A | A | -1.3456 | |
| 95 | D | A | -2.0061 | |
| 96 | G | A | -2.2085 | |
| 97 | K | A | -2.8483 | |
| 98 | K | A | -2.8108 | |
| 99 | R | A | 0.0000 | |
| 100 | P | A | -1.2750 | |
| 101 | V | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | W | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | H | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | G | A | 0.2215 | |
| 109 | A | A | 0.2390 | |
| 110 | F | A | 0.0000 | |
| 111 | L | A | 0.3895 | |
| 112 | F | A | 0.2941 | |
| 113 | G | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | P | A | -0.5770 | |
| 119 | W | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | T | A | -0.6376 | |
| 124 | A | A | -0.7332 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | K | A | -2.2632 | |
| 128 | H | A | -1.3248 | |
| 129 | G | A | 0.0000 | |
| 130 | D | A | -1.7933 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | N | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | R | A | 0.0000 | |
| 140 | M | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | H | A | -0.7089 | |
| 148 | L | A | 0.0000 | |
| 149 | G | A | -1.1400 | |
| 150 | D | A | -2.1959 | |
| 151 | L | A | -0.6680 | |
| 152 | F | A | -1.1187 | |
| 153 | G | A | -1.6539 | |
| 154 | E | A | -2.4324 | |
| 155 | A | A | -1.2574 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -1.0849 | |
| 159 | A | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | L | A | -0.0346 | |
| 166 | D | A | 0.0000 | |
| 167 | Q | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | A | A | -0.5746 | |
| 170 | A | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | R | A | -1.4709 | |
| 173 | W | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | K | A | -1.6413 | |
| 176 | E | A | -1.5846 | |
| 177 | N | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | E | A | -2.4989 | |
| 180 | A | A | -1.3772 | |
| 181 | F | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | P | A | -2.1194 | |
| 186 | D | A | -2.7384 | |
| 187 | N | A | -1.9366 | |
| 188 | I | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | S | A | -0.9591 | |
| 206 | L | A | 0.0000 | |
| 207 | S | A | -0.9807 | |
| 208 | E | A | -1.1049 | |
| 209 | A | A | 0.0000 | |
| 210 | S | A | -0.8756 | |
| 211 | G | A | -1.4837 | |
| 212 | L | A | -1.4083 | |
| 213 | F | A | 0.0000 | |
| 214 | R | A | -2.4037 | |
| 215 | R | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | A | A | -0.0914 | |
| 225 | L | A | 0.0000 | |
| 226 | L | A | 0.5734 | |
| 227 | L | A | 0.5103 | |
| 228 | R | A | 0.0000 | |
| 229 | S | A | -0.6563 | |
| 230 | P | A | -0.9436 | |
| 231 | K | A | -1.7078 | |
| 232 | T | A | -0.7183 | |
| 233 | A | A | 0.0000 | |
| 234 | M | A | -1.1112 | |
| 235 | A | A | -1.0888 | |
| 236 | M | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | E | A | -2.9124 | |
| 239 | R | A | -2.4776 | |
| 240 | I | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | E | A | -3.5225 | |
| 243 | R | A | -2.7875 | |
| 244 | A | A | 0.0000 | |
| 245 | G | A | -2.1394 | |
| 246 | I | A | 0.0000 | |
| 247 | R | A | -2.9037 | |
| 248 | P | A | -1.7585 | |
| 249 | G | A | -1.4286 | |
| 250 | D | A | -1.6877 | |
| 251 | R | A | -1.8548 | |
| 252 | G | A | -1.6387 | |
| 253 | R | A | -1.5993 | |
| 254 | L | A | 0.0000 | |
| 255 | L | A | -0.9826 | |
| 256 | S | A | -0.8756 | |
| 257 | I | A | 0.0000 | |
| 258 | P | A | -1.3356 | |
| 259 | A | A | -1.4394 | |
| 260 | E | A | -2.7385 | |
| 261 | E | A | -2.3327 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | -2.5116 | |
| 265 | S | A | -1.9208 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | -0.1227 | |
| 268 | S | A | -0.5605 | |
| 269 | L | A | -0.5586 | |
| 270 | G | A | -0.1574 | |
| 271 | P | A | -0.3676 | |
| 272 | G | A | -0.4268 | |
| 273 | I | A | 0.0930 | |
| 274 | M | A | 0.4020 | |
| 275 | Y | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | V | A | -0.7799 | |
| 280 | D | A | -1.2017 | |
| 281 | G | A | -1.5578 | |
| 282 | R | A | -1.6727 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | R | A | -2.4590 | |
| 286 | R | A | -2.1069 | |
| 287 | H | A | -1.2310 | |
| 288 | P | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | E | A | -1.8228 | |
| 291 | A | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | C | A | -0.5950 | |
| 294 | D | A | -1.7593 | |
| 295 | G | A | -1.0724 | |
| 296 | A | A | -0.7656 | |
| 297 | A | A | 0.0000 | |
| 298 | S | A | -0.8035 | |
| 299 | G | A | -0.9806 | |
| 300 | I | A | -0.8021 | |
| 301 | P | A | -0.7286 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | G | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | T | A | 0.0000 | |
| 308 | K | A | -1.1047 | |
| 309 | D | A | 0.0000 | |
| 310 | E | A | 0.0000 | |
| 311 | Y | A | 0.1893 | |
| 312 | N | A | 0.0000 | |
| 313 | L | A | 0.3343 | |
| 314 | F | A | 0.5375 | |
| 315 | T | A | 0.0000 | |
| 316 | L | A | 0.7822 | |
| 317 | T | A | 0.3943 | |
| 318 | D | A | -0.2879 | |
| 319 | P | A | -0.4663 | |
| 320 | S | A | -0.6792 | |
| 321 | W | A | 0.0000 | |
| 322 | M | A | -0.7606 | |
| 323 | K | A | -1.9680 | |
| 324 | L | A | -1.7243 | |
| 325 | G | A | -2.1098 | |
| 326 | E | A | -3.0012 | |
| 327 | H | A | -2.6265 | |
| 328 | E | A | -2.9070 | |
| 329 | L | A | 0.0000 | |
| 330 | L | A | -2.0738 | |
| 331 | D | A | -3.0527 | |
| 332 | R | A | -2.5966 | |
| 333 | I | A | 0.0000 | |
| 334 | N | A | -2.4948 | |
| 335 | R | A | -3.0927 | |
| 336 | E | A | -2.4627 | |
| 337 | V | A | -1.2967 | |
| 338 | G | A | -1.5476 | |
| 339 | P | A | -1.2791 | |
| 340 | V | A | 0.0000 | |
| 341 | P | A | -1.2929 | |
| 342 | E | A | -2.2742 | |
| 343 | A | A | -1.3993 | |
| 344 | A | A | 0.0000 | |
| 345 | I | A | -1.0114 | |
| 346 | R | A | -2.1220 | |
| 347 | Y | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | A | A | -1.4180 | |
| 350 | E | A | -2.1939 | |
| 351 | T | A | -1.2650 | |
| 352 | A | A | -1.3533 | |
| 353 | E | A | -1.3335 | |
| 354 | P | A | -0.7168 | |
| 355 | S | A | -0.7229 | |
| 356 | A | A | -0.9588 | |
| 357 | P | A | -1.0733 | |
| 358 | D | A | -2.0004 | |
| 359 | W | A | 0.0000 | |
| 360 | Q | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | W | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | R | A | -0.4346 | |
| 365 | I | A | 0.0000 | |
| 366 | M | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | Y | A | 0.0000 | |
| 369 | R | A | -0.5716 | |
| 370 | V | A | -0.0147 | |
| 371 | F | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -0.5169 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | R | A | -0.9973 | |
| 378 | T | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -0.9544 | |
| 381 | A | A | -0.7409 | |
| 382 | Q | A | 0.0000 | |
| 383 | A | A | -0.5413 | |
| 384 | A | A | -0.4012 | |
| 385 | H | A | -0.8338 | |
| 386 | G | A | -0.8682 | |
| 387 | A | A | -0.6583 | |
| 388 | D | A | -0.6962 | |
| 389 | V | A | 0.0000 | |
| 390 | Y | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | Y | A | 0.0000 | |
| 393 | R | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | D | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | E | A | -1.4090 | |
| 398 | T | A | 0.0000 | |
| 399 | P | A | -0.7390 | |
| 400 | V | A | -0.2483 | |
| 401 | F | A | 0.2498 | |
| 402 | G | A | -0.5308 | |
| 403 | G | A | -0.9236 | |
| 404 | Q | A | -1.2445 | |
| 405 | L | A | 0.0000 | |
| 406 | K | A | -1.0736 | |
| 407 | A | A | 0.0000 | |
| 408 | C | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | A | A | 0.0262 | |
| 411 | L | A | 0.0000 | |
| 412 | E | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | P | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | H | A | -0.7978 | |
| 419 | N | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | H | A | -1.5667 | |
| 422 | Q | A | -0.9467 | |
| 423 | P | A | -1.1607 | |
| 424 | G | A | -1.2042 | |
| 425 | V | A | 0.0000 | |
| 426 | A | A | -1.1476 | |
| 427 | N | A | -1.2443 | |
| 428 | F | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | N | A | -1.8133 | |
| 432 | R | A | -1.5958 | |
| 433 | P | A | -1.2089 | |
| 434 | E | A | -1.1775 | |
| 435 | R | A | 0.0000 | |
| 436 | E | A | -2.2391 | |
| 437 | A | A | -1.1635 | |
| 438 | I | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | N | A | -0.9147 | |
| 441 | E | A | -0.6728 | |
| 442 | M | A | 0.0000 | |
| 443 | H | A | 0.0000 | |
| 444 | Y | A | 0.0470 | |
| 445 | A | A | 0.0000 | |
| 446 | W | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | S | A | -0.5038 | |
| 449 | F | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | R | A | -1.0677 | |
| 452 | T | A | -0.6906 | |
| 453 | G | A | -0.9210 | |
| 454 | D | A | -1.0067 | |
| 455 | P | A | 0.0000 | |
| 456 | N | A | -1.1704 | |
| 457 | G | A | -1.0311 | |
| 458 | A | A | -0.6151 | |
| 459 | H | A | -0.7559 | |
| 460 | L | A | 0.0000 | |
| 461 | P | A | -1.3346 | |
| 462 | E | A | -2.1149 | |
| 463 | K | A | -2.0718 | |
| 464 | W | A | 0.0000 | |
| 465 | P | A | -0.4238 | |
| 466 | I | A | 0.1663 | |
| 467 | Y | A | 0.0000 | |
| 468 | T | A | -1.1018 | |
| 469 | N | A | -1.7817 | |
| 470 | E | A | -2.8847 | |
| 471 | R | A | -2.7120 | |
| 472 | K | A | 0.0000 | |
| 473 | P | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | F | A | 0.0000 | |
| 478 | S | A | -0.2759 | |
| 479 | A | A | -0.2552 | |
| 480 | A | A | -0.1653 | |
| 481 | S | A | 0.0000 | |
| 482 | H | A | -1.1835 | |
| 483 | V | A | -1.2015 | |
| 484 | E | A | -1.6039 | |
| 485 | D | A | -2.6636 | |
| 486 | D | A | -1.9041 | |
| 487 | P | A | -0.7251 | |
| 488 | F | A | -0.2701 | |
| 489 | G | A | -0.2522 | |
| 490 | C | A | 0.5739 | |
| 491 | E | A | 0.0702 | |
| 492 | R | A | 0.0125 | |
| 493 | A | A | 0.1829 | |
| 494 | A | A | 0.0000 | |
| 495 | W | A | -0.1644 | |
| 496 | M | A | 0.2230 | |
| 497 | T | A | -0.8631 | |
| 498 | R | A | -1.8609 | |
| 499 | A | A | -0.8247 |
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