| Chain sequence(s) |
A: PLGLAGSAFERVVRRVVQELDHGGEFIPVTSLQSSTGFQPYCLVVRKPSSSWFWKPRYKCVNLSIKDILEPDAAEPDVQRGRSFHFYDAMDGQIQGSVELAAPGQAKIAGGAAVSDSSSTSMNVYSLSVDPNTWQTLLHERHLRQPEHKVLQQLRSRGDNVYVVTEVLQTQKEVEVTRTHKREGSGRFSLPGATCLQGEGQGHLSQKKTVTIPSGSTLAFRVAQLVIDSDLDVLLFPDKKQRTFQPPATGHKRSTSEGAWPQLPSGLSMMRCLHNFLTDPLGLAGVPAEGAFTEDFQGLRAEVETISKELELLDRELCQLLLEGLEGVLRDQLALRALEEALEQGQSLGPVEPLDGPAGAVLECLVLSSGMLVPELAIPVVYLLGALTMLSETQHKLLAEALESQTLLGPLELVGSLLEQSAPWQERSTMSLPPGLLGNSWGEGAPAWVLLDECGLELGEDTPHVCWEPQAQGRMCALYASLALLSGLSQEPH
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 (00:07:49)
[INFO] Main: Simulation completed successfully. (00:07:52)
|
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 | |
| 52 | P | A | 0.6338 | |
| 53 | L | A | 1.5486 | |
| 54 | G | A | 0.9900 | |
| 55 | L | A | 1.3442 | |
| 56 | A | A | 0.6274 | |
| 57 | G | A | -0.3115 | |
| 58 | S | A | -0.0750 | |
| 59 | A | A | -0.6327 | |
| 60 | F | A | 0.0000 | |
| 61 | E | A | -1.0373 | |
| 62 | R | A | -1.2225 | |
| 63 | V | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | R | A | -1.7247 | |
| 66 | R | A | -1.5955 | |
| 67 | V | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | Q | A | -1.9400 | |
| 70 | E | A | -2.0590 | |
| 71 | L | A | -0.8981 | |
| 72 | D | A | 0.0000 | |
| 73 | H | A | -1.9935 | |
| 74 | G | A | -1.6818 | |
| 75 | G | A | -1.8309 | |
| 76 | E | A | -2.3230 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.7340 | |
| 79 | P | A | -0.6702 | |
| 80 | V | A | 0.0000 | |
| 81 | T | A | -0.5735 | |
| 82 | S | A | -0.5190 | |
| 83 | L | A | -0.5218 | |
| 84 | Q | A | -1.1716 | |
| 85 | S | A | -0.8286 | |
| 86 | S | A | 0.0000 | |
| 87 | T | A | -0.4262 | |
| 88 | G | A | -0.7763 | |
| 89 | F | A | 0.0000 | |
| 90 | Q | A | -0.2687 | |
| 91 | P | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | C | A | -0.2851 | |
| 94 | L | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | R | A | -1.8613 | |
| 98 | K | A | -1.8669 | |
| 99 | P | A | -0.9960 | |
| 100 | S | A | -0.4672 | |
| 101 | S | A | 0.0000 | |
| 102 | S | A | 0.0000 | |
| 103 | W | A | 0.7182 | |
| 104 | F | A | 0.0000 | |
| 105 | W | A | 0.0000 | |
| 106 | K | A | -1.7053 | |
| 107 | P | A | -1.3475 | |
| 108 | R | A | -1.7094 | |
| 109 | Y | A | -1.4496 | |
| 110 | K | A | -1.8658 | |
| 111 | C | A | -1.0051 | |
| 112 | V | A | -0.6220 | |
| 113 | N | A | -1.3240 | |
| 114 | L | A | 0.0000 | |
| 115 | S | A | -0.7470 | |
| 116 | I | A | 0.0000 | |
| 117 | K | A | -1.7256 | |
| 118 | D | A | -1.4626 | |
| 119 | I | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | E | A | -2.9004 | |
| 122 | P | A | -2.2907 | |
| 123 | D | A | -2.6540 | |
| 124 | A | A | -1.5965 | |
| 125 | A | A | -1.3992 | |
| 126 | E | A | -2.1456 | |
| 127 | P | A | -1.7044 | |
| 128 | D | A | -2.4403 | |
| 129 | V | A | -1.7103 | |
| 130 | Q | A | -2.5984 | |
| 131 | R | A | -3.0598 | |
| 132 | G | A | -2.3807 | |
| 133 | R | A | -2.5011 | |
| 134 | S | A | -1.6584 | |
| 135 | F | A | -0.6313 | |
| 136 | H | A | -0.7689 | |
| 137 | F | A | 0.0000 | |
| 138 | Y | A | 0.5868 | |
| 139 | D | A | 0.2673 | |
| 140 | A | A | -0.1461 | |
| 141 | M | A | -0.7755 | |
| 142 | D | A | -2.0900 | |
| 143 | G | A | -1.3124 | |
| 144 | Q | A | -1.5818 | |
| 145 | I | A | -0.5941 | |
| 146 | Q | A | -1.5630 | |
| 147 | G | A | -0.8194 | |
| 148 | S | A | -0.3230 | |
| 149 | V | A | 1.0899 | |
| 150 | E | A | -0.6369 | |
| 151 | L | A | 0.7991 | |
| 152 | A | A | -0.3525 | |
| 153 | A | A | -0.5648 | |
| 154 | P | A | -0.7979 | |
| 155 | G | A | -1.3401 | |
| 156 | Q | A | -1.4163 | |
| 157 | A | A | -0.6372 | |
| 158 | K | A | -1.3912 | |
| 159 | I | A | -0.0239 | |
| 160 | A | A | -0.7322 | |
| 161 | G | A | -0.6812 | |
| 162 | G | A | -1.0457 | |
| 163 | A | A | -0.9736 | |
| 164 | A | A | -1.3600 | |
| 165 | V | A | -1.0913 | |
| 166 | S | A | -1.5581 | |
| 167 | D | A | -1.6448 | |
| 168 | S | A | -1.5179 | |
| 169 | S | A | 0.0000 | |
| 170 | S | A | -0.5282 | |
| 171 | T | A | 0.0000 | |
| 172 | S | A | -0.2508 | |
| 173 | M | A | 0.0000 | |
| 174 | N | A | -1.3973 | |
| 175 | V | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | -1.4500 | |
| 179 | S | A | -1.2147 | |
| 180 | V | A | 0.0000 | |
| 181 | D | A | -1.4731 | |
| 182 | P | A | -1.3266 | |
| 183 | N | A | -1.9548 | |
| 184 | T | A | -1.6643 | |
| 185 | W | A | 0.0000 | |
| 186 | Q | A | -2.1201 | |
| 187 | T | A | -1.8127 | |
| 188 | L | A | 0.0000 | |
| 189 | L | A | -1.6980 | |
| 190 | H | A | -2.5122 | |
| 191 | E | A | -2.8333 | |
| 192 | R | A | 0.0000 | |
| 193 | H | A | -2.6559 | |
| 194 | L | A | 0.0000 | |
| 195 | R | A | -2.3462 | |
| 196 | Q | A | -2.0677 | |
| 197 | P | A | -1.7347 | |
| 198 | E | A | -1.9741 | |
| 199 | H | A | -1.9045 | |
| 200 | K | A | -2.3621 | |
| 201 | V | A | -1.3654 | |
| 202 | L | A | 0.0000 | |
| 203 | Q | A | -2.4291 | |
| 204 | Q | A | -2.2468 | |
| 205 | L | A | 0.0000 | |
| 206 | R | A | -2.2214 | |
| 207 | S | A | -1.2763 | |
| 208 | R | A | -1.3912 | |
| 209 | G | A | -1.6169 | |
| 210 | D | A | -1.4246 | |
| 211 | N | A | -1.3547 | |
| 212 | V | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | T | A | -0.1757 | |
| 217 | E | A | -0.6722 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | Q | A | -2.4320 | |
| 223 | K | A | -3.3803 | |
| 224 | E | A | -3.3094 | |
| 225 | V | A | 0.0000 | |
| 226 | E | A | -2.4386 | |
| 227 | V | A | 0.0000 | |
| 228 | T | A | -1.6607 | |
| 229 | R | A | -2.1296 | |
| 230 | T | A | -2.3319 | |
| 231 | H | A | 0.0000 | |
| 232 | K | A | -2.1279 | |
| 233 | R | A | -2.2071 | |
| 234 | E | A | -2.1573 | |
| 235 | G | A | -1.8004 | |
| 236 | S | A | -2.1366 | |
| 237 | G | A | -1.9105 | |
| 238 | R | A | -3.0569 | |
| 239 | F | A | -0.4749 | |
| 240 | S | A | -0.2551 | |
| 241 | L | A | 1.0290 | |
| 242 | P | A | -0.0248 | |
| 243 | G | A | 0.1582 | |
| 244 | A | A | 0.2305 | |
| 245 | T | A | 0.4987 | |
| 246 | C | A | 1.1184 | |
| 247 | L | A | 1.4189 | |
| 248 | Q | A | -0.8588 | |
| 249 | G | A | -1.3858 | |
| 250 | E | A | -3.2118 | |
| 251 | G | A | -2.4306 | |
| 252 | Q | A | -2.7560 | |
| 253 | G | A | -1.8560 | |
| 254 | H | A | -1.8685 | |
| 255 | L | A | -0.7499 | |
| 256 | S | A | -1.5343 | |
| 257 | Q | A | -2.3650 | |
| 258 | K | A | -3.2785 | |
| 259 | K | A | -2.6978 | |
| 260 | T | A | -1.7347 | |
| 261 | V | A | -0.7796 | |
| 262 | T | A | -1.0584 | |
| 263 | I | A | 0.0000 | |
| 264 | P | A | -1.6792 | |
| 265 | S | A | -2.0406 | |
| 266 | G | A | -1.2078 | |
| 267 | S | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | R | A | -0.7612 | |
| 273 | V | A | 0.0114 | |
| 274 | A | A | 0.0000 | |
| 275 | Q | A | -0.0146 | |
| 276 | L | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | D | A | -2.0341 | |
| 280 | S | A | -1.8160 | |
| 281 | D | A | -2.6334 | |
| 282 | L | A | -1.8866 | |
| 283 | D | A | -2.2982 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.6716 | |
| 286 | L | A | 1.1626 | |
| 287 | F | A | 1.6635 | |
| 288 | P | A | -0.2886 | |
| 289 | D | A | -2.0434 | |
| 290 | K | A | -2.8819 | |
| 291 | K | A | -3.1711 | |
| 292 | Q | A | -2.1536 | |
| 293 | R | A | -2.1749 | |
| 294 | T | A | 0.0000 | |
| 295 | F | A | -1.0477 | |
| 296 | Q | A | -1.2634 | |
| 297 | P | A | -0.6502 | |
| 298 | P | A | -0.8949 | |
| 299 | A | A | -0.6161 | |
| 300 | T | A | -0.8781 | |
| 301 | G | A | -1.5378 | |
| 302 | H | A | -2.4948 | |
| 303 | K | A | -3.2554 | |
| 304 | R | A | -3.0874 | |
| 305 | S | A | -1.9005 | |
| 306 | T | A | -1.3777 | |
| 307 | S | A | -1.5144 | |
| 308 | E | A | -2.0300 | |
| 309 | G | A | -1.1214 | |
| 310 | A | A | -0.4077 | |
| 311 | W | A | 0.6469 | |
| 312 | P | A | 0.0871 | |
| 313 | Q | A | -0.3377 | |
| 314 | L | A | 0.8282 | |
| 315 | P | A | 0.0787 | |
| 316 | S | A | -0.0402 | |
| 317 | G | A | 0.4095 | |
| 318 | L | A | 1.2419 | |
| 319 | S | A | 0.4490 | |
| 320 | M | A | 0.8725 | |
| 321 | M | A | -0.3467 | |
| 322 | R | A | -1.7636 | |
| 323 | C | A | -1.0656 | |
| 324 | L | A | 0.0000 | |
| 325 | H | A | -1.5400 | |
| 326 | N | A | -2.2945 | |
| 327 | F | A | -0.3542 | |
| 328 | L | A | -0.6563 | |
| 329 | T | A | -1.1090 | |
| 330 | D | A | -2.0076 | |
| 331 | P | A | -0.5106 | |
| 332 | L | A | 1.1075 | |
| 333 | G | A | 0.5989 | |
| 334 | L | A | 1.6327 | |
| 335 | A | A | 1.0278 | |
| 336 | G | A | 0.6899 | |
| 337 | V | A | 1.4139 | |
| 338 | P | A | -0.1097 | |
| 339 | A | A | -0.9657 | |
| 340 | E | A | -1.9054 | |
| 341 | G | A | -1.5179 | |
| 342 | A | A | -0.7490 | |
| 343 | F | A | -0.7202 | |
| 344 | T | A | -1.0703 | |
| 345 | E | A | -2.0085 | |
| 346 | D | A | -2.2839 | |
| 347 | F | A | 0.0000 | |
| 348 | Q | A | -2.4146 | |
| 349 | G | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | -2.3116 | |
| 352 | A | A | -1.4190 | |
| 353 | E | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | E | A | -2.2745 | |
| 356 | T | A | -1.3853 | |
| 357 | I | A | 0.0000 | |
| 358 | S | A | -1.8679 | |
| 359 | K | A | -2.6701 | |
| 360 | E | A | -1.8718 | |
| 361 | L | A | 0.0000 | |
| 362 | E | A | -2.7922 | |
| 363 | L | A | -0.7092 | |
| 364 | L | A | 0.0000 | |
| 365 | D | A | -3.2139 | |
| 366 | R | A | -4.1031 | |
| 367 | E | A | -3.1505 | |
| 368 | L | A | -1.8825 | |
| 369 | C | A | -2.3174 | |
| 370 | Q | A | -2.0797 | |
| 371 | L | A | -0.9149 | |
| 372 | L | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | E | A | -2.0536 | |
| 375 | G | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | -1.9820 | |
| 378 | G | A | -1.4896 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | R | A | -2.1146 | |
| 382 | D | A | -1.8324 | |
| 383 | Q | A | -1.2678 | |
| 384 | L | A | 0.2534 | |
| 385 | A | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | R | A | -2.1542 | |
| 388 | A | A | -1.5825 | |
| 389 | L | A | 0.0000 | |
| 390 | E | A | -1.9087 | |
| 391 | E | A | -3.0165 | |
| 392 | A | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | E | A | -1.8422 | |
| 395 | Q | A | -1.8543 | |
| 396 | G | A | -0.9447 | |
| 397 | Q | A | -0.4945 | |
| 398 | S | A | -0.1706 | |
| 399 | L | A | 1.1718 | |
| 400 | G | A | 0.0932 | |
| 401 | P | A | -0.3212 | |
| 402 | V | A | 0.0000 | |
| 403 | E | A | -2.3653 | |
| 404 | P | A | -1.6847 | |
| 405 | L | A | -1.5091 | |
| 406 | D | A | -2.1121 | |
| 407 | G | A | -1.3966 | |
| 408 | P | A | -1.2720 | |
| 409 | A | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | A | A | -1.1190 | |
| 412 | V | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | E | A | -1.3105 | |
| 415 | C | A | -0.1525 | |
| 416 | L | A | 0.0000 | |
| 417 | V | A | 0.6434 | |
| 418 | L | A | 1.3075 | |
| 419 | S | A | 0.2783 | |
| 420 | S | A | 0.3597 | |
| 421 | G | A | -0.0616 | |
| 422 | M | A | 0.9430 | |
| 423 | L | A | 0.6532 | |
| 424 | V | A | 0.4334 | |
| 425 | P | A | -0.4838 | |
| 426 | E | A | -1.0961 | |
| 427 | L | A | -0.1645 | |
| 428 | A | A | 0.0000 | |
| 429 | I | A | -0.2181 | |
| 430 | P | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | V | A | 0.1429 | |
| 433 | Y | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | T | A | -0.6116 | |
| 440 | M | A | -0.4119 | |
| 441 | L | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | E | A | -1.9125 | |
| 444 | T | A | -0.9687 | |
| 445 | Q | A | 0.0000 | |
| 446 | H | A | 0.0000 | |
| 447 | K | A | -2.4337 | |
| 448 | L | A | -1.5840 | |
| 449 | L | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | E | A | -3.1247 | |
| 452 | A | A | -2.0424 | |
| 453 | L | A | 0.0000 | |
| 454 | E | A | -3.2187 | |
| 455 | S | A | -2.1720 | |
| 456 | Q | A | -2.1683 | |
| 457 | T | A | -1.0062 | |
| 458 | L | A | 0.0000 | |
| 459 | L | A | 0.3301 | |
| 460 | G | A | -0.4511 | |
| 461 | P | A | -0.2998 | |
| 462 | L | A | -0.4248 | |
| 463 | E | A | -1.4902 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | G | A | -1.5586 | |
| 467 | S | A | -1.4673 | |
| 468 | L | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | E | A | -2.7289 | |
| 471 | Q | A | -2.1838 | |
| 472 | S | A | 0.0000 | |
| 473 | A | A | -1.9919 | |
| 474 | P | A | -2.0216 | |
| 475 | W | A | 0.0000 | |
| 476 | Q | A | -2.6440 | |
| 477 | E | A | -3.3111 | |
| 478 | R | A | -3.1098 | |
| 479 | S | A | -1.8185 | |
| 480 | T | A | -1.0784 | |
| 481 | M | A | 0.0000 | |
| 482 | S | A | -0.5786 | |
| 483 | L | A | 0.0000 | |
| 484 | P | A | -0.3006 | |
| 485 | P | A | -0.5685 | |
| 486 | G | A | -0.5754 | |
| 487 | L | A | -0.5306 | |
| 488 | L | A | -0.4284 | |
| 489 | G | A | -1.0621 | |
| 490 | N | A | -1.5306 | |
| 491 | S | A | -0.9881 | |
| 492 | W | A | -0.8239 | |
| 493 | G | A | -1.0163 | |
| 494 | E | A | -0.7530 | |
| 495 | G | A | -0.5215 | |
| 496 | A | A | -0.6909 | |
| 497 | P | A | -0.7804 | |
| 498 | A | A | -0.3082 | |
| 499 | W | A | -0.4158 | |
| 500 | V | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | D | A | -0.8168 | |
| 504 | E | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | G | A | -1.2037 | |
| 507 | L | A | 0.0000 | |
| 508 | E | A | -1.8159 | |
| 509 | L | A | -1.2688 | |
| 510 | G | A | -1.1607 | |
| 511 | E | A | -1.5558 | |
| 512 | D | A | -2.2380 | |
| 513 | T | A | -1.2880 | |
| 514 | P | A | -0.9724 | |
| 515 | H | A | -1.0361 | |
| 516 | V | A | 0.0000 | |
| 517 | C | A | -1.0458 | |
| 518 | W | A | 0.0000 | |
| 519 | E | A | -1.9258 | |
| 520 | P | A | -1.8920 | |
| 521 | Q | A | -1.5490 | |
| 522 | A | A | 0.0000 | |
| 523 | Q | A | -1.0121 | |
| 524 | G | A | -0.7129 | |
| 525 | R | A | -0.7123 | |
| 526 | M | A | 0.0000 | |
| 527 | C | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | Y | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | A | A | -0.4702 | |
| 535 | L | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | S | A | 0.0000 | |
| 538 | G | A | -1.6608 | |
| 539 | L | A | 0.0000 | |
| 540 | S | A | -1.9639 | |
| 541 | Q | A | -2.9592 | |
| 542 | E | A | -3.3386 | |
| 543 | P | A | -2.6712 | |
| 544 | H | A | -1.7806 |
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