| Chain sequence(s) |
A: PDEKNLKDSANIIKSFFRKTIAAQSYSRMFSQGSNFKSLNIAIDAPSDAKASFKAIEHLDRLSKHYISEIREKLHPLSAEELNLLSLIINSDLIFRHQSNSDLSDKILNIKSFNKIQSEGICTKRNTYADDIKKIANHDFVFFGVEISNHQKKHPLNTKHHTVDFGANAYIIDHDSPYGYMTLTDHFDNAIPPVFYHEHQSFLDKFSEVNKEVSRYVHGSKGIIDVPIFNTKDMKLGLGLYLIDFIRKSEDQSFKEFCYGKNLAPVDLDRIINFVFQPEYHIPRMVSTENFKKVKIREISLEEAVTASNYEEINKQVTNKKIALQALFLSITNQKEDVALYILSNFEITRQDVISIKHELYDIEYLLSAHNSSCKVLEYFINKGLVDVNTKFKKTNSGDCMLDNAIKYENAEMIKLLLKYGATSDNKYI
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 (00:08:22)
[INFO] Main: Simulation completed successfully. (00:08:25)
|
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 | |
| 63 | P | A | -2.1388 | |
| 64 | D | A | -3.9211 | |
| 65 | E | A | -4.3028 | |
| 66 | K | A | -4.5949 | |
| 67 | N | A | -4.1310 | |
| 68 | L | A | -2.6434 | |
| 69 | K | A | -3.7648 | |
| 70 | D | A | -3.5071 | |
| 71 | S | A | -1.4213 | |
| 72 | A | A | -0.9177 | |
| 73 | N | A | -0.8986 | |
| 74 | I | A | 1.6212 | |
| 75 | I | A | 1.8135 | |
| 76 | K | A | 0.1493 | |
| 77 | S | A | 0.7824 | |
| 78 | F | A | 2.2896 | |
| 79 | F | A | 1.8566 | |
| 80 | R | A | -0.4419 | |
| 81 | K | A | -0.0782 | |
| 82 | T | A | 0.1472 | |
| 83 | I | A | 0.1524 | |
| 84 | A | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | Q | A | -0.6959 | |
| 87 | S | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | R | A | -1.2480 | |
| 91 | M | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | Q | A | -2.2166 | |
| 95 | G | A | 0.0000 | |
| 96 | S | A | -1.9904 | |
| 97 | N | A | -1.4091 | |
| 98 | F | A | 0.0000 | |
| 99 | K | A | -2.6561 | |
| 100 | S | A | -1.6142 | |
| 101 | L | A | 0.0000 | |
| 102 | N | A | -1.9867 | |
| 103 | I | A | -0.8137 | |
| 104 | A | A | -1.3497 | |
| 105 | I | A | -1.3460 | |
| 106 | D | A | -2.0415 | |
| 107 | A | A | -1.4486 | |
| 108 | P | A | -1.7136 | |
| 109 | S | A | -1.6739 | |
| 110 | D | A | -2.4710 | |
| 111 | A | A | -1.7624 | |
| 112 | K | A | -2.2820 | |
| 113 | A | A | -1.5227 | |
| 114 | S | A | -1.1979 | |
| 115 | F | A | -0.7014 | |
| 116 | K | A | -2.0103 | |
| 117 | A | A | 0.0000 | |
| 118 | I | A | -1.5696 | |
| 119 | E | A | -3.0425 | |
| 120 | H | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | D | A | -3.5507 | |
| 123 | R | A | -3.6234 | |
| 124 | L | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | K | A | -3.0991 | |
| 127 | H | A | -2.8852 | |
| 128 | Y | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | S | A | -2.6654 | |
| 131 | E | A | -3.0499 | |
| 132 | I | A | 0.0000 | |
| 133 | R | A | -4.0206 | |
| 134 | E | A | -4.2415 | |
| 135 | K | A | -3.8146 | |
| 136 | L | A | 0.0000 | |
| 137 | H | A | -2.6372 | |
| 138 | P | A | -1.3436 | |
| 139 | L | A | -0.3802 | |
| 140 | S | A | -0.4039 | |
| 141 | A | A | -0.4516 | |
| 142 | E | A | -1.8539 | |
| 143 | E | A | 0.0000 | |
| 144 | L | A | 0.3972 | |
| 145 | N | A | -0.8853 | |
| 146 | L | A | 0.0000 | |
| 147 | L | A | 0.2781 | |
| 148 | S | A | -0.0618 | |
| 149 | L | A | -0.1408 | |
| 150 | I | A | 0.0000 | |
| 151 | I | A | -0.0676 | |
| 152 | N | A | -1.2476 | |
| 153 | S | A | 0.0000 | |
| 154 | D | A | -2.4784 | |
| 155 | L | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | R | A | 0.0000 | |
| 159 | H | A | 0.0000 | |
| 160 | Q | A | 0.0000 | |
| 161 | S | A | -0.3873 | |
| 162 | N | A | -1.1551 | |
| 163 | S | A | -1.3879 | |
| 164 | D | A | -2.4193 | |
| 165 | L | A | -1.4741 | |
| 166 | S | A | -2.1933 | |
| 167 | D | A | -3.0246 | |
| 168 | K | A | -2.6901 | |
| 169 | I | A | -1.4951 | |
| 170 | L | A | 0.0000 | |
| 171 | N | A | -1.1485 | |
| 172 | I | A | 0.0000 | |
| 173 | K | A | -0.4551 | |
| 174 | S | A | 0.0000 | |
| 175 | F | A | -0.6224 | |
| 176 | N | A | -0.9390 | |
| 177 | K | A | -1.0757 | |
| 178 | I | A | -0.7002 | |
| 179 | Q | A | -1.6240 | |
| 180 | S | A | -1.6563 | |
| 181 | E | A | -2.1100 | |
| 182 | G | A | -1.1104 | |
| 183 | I | A | 0.2062 | |
| 184 | C | A | -0.0227 | |
| 185 | T | A | -0.9406 | |
| 186 | K | A | -2.7355 | |
| 187 | R | A | -2.8397 | |
| 188 | N | A | -2.1140 | |
| 189 | T | A | -0.8073 | |
| 190 | Y | A | 0.1977 | |
| 191 | A | A | -0.3131 | |
| 192 | D | A | -1.0837 | |
| 193 | D | A | -0.8199 | |
| 194 | I | A | -0.7997 | |
| 195 | K | A | -2.2811 | |
| 196 | K | A | -2.1039 | |
| 197 | I | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | N | A | -0.6019 | |
| 200 | H | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | F | A | 0.9306 | |
| 205 | F | A | 0.0000 | |
| 206 | G | A | -0.0162 | |
| 207 | V | A | 0.0000 | |
| 208 | E | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | S | A | -1.8087 | |
| 211 | N | A | -1.6635 | |
| 212 | H | A | -2.0298 | |
| 213 | Q | A | -2.4157 | |
| 214 | K | A | -2.6319 | |
| 215 | K | A | -2.5794 | |
| 216 | H | A | -1.7117 | |
| 217 | P | A | -0.9180 | |
| 218 | L | A | -0.6187 | |
| 219 | N | A | 0.0000 | |
| 220 | T | A | -0.4669 | |
| 221 | K | A | -0.7178 | |
| 222 | H | A | 0.0000 | |
| 223 | H | A | -0.2843 | |
| 224 | T | A | 0.5102 | |
| 225 | V | A | 0.5458 | |
| 226 | D | A | -0.5232 | |
| 227 | F | A | -0.0090 | |
| 228 | G | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | N | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | Y | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | D | A | -2.9855 | |
| 236 | H | A | -2.4806 | |
| 237 | D | A | -2.4757 | |
| 238 | S | A | -1.3665 | |
| 239 | P | A | -1.2227 | |
| 240 | Y | A | -0.8475 | |
| 241 | G | A | 0.0000 | |
| 242 | Y | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | D | A | -0.9194 | |
| 248 | H | A | 0.0000 | |
| 249 | F | A | 0.0314 | |
| 250 | D | A | -1.0466 | |
| 251 | N | A | 0.0000 | |
| 252 | A | A | 0.1325 | |
| 253 | I | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | P | A | 0.5053 | |
| 256 | V | A | 0.0000 | |
| 257 | F | A | 1.9753 | |
| 258 | Y | A | 1.8373 | |
| 259 | H | A | 0.0000 | |
| 260 | E | A | -0.6388 | |
| 261 | H | A | -0.7477 | |
| 262 | Q | A | -1.0068 | |
| 263 | S | A | -1.3462 | |
| 264 | F | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | D | A | -2.7168 | |
| 267 | K | A | -2.5800 | |
| 268 | F | A | 0.0000 | |
| 269 | S | A | -2.1264 | |
| 270 | E | A | -2.5980 | |
| 271 | V | A | 0.0000 | |
| 272 | N | A | -1.7087 | |
| 273 | K | A | -2.4072 | |
| 274 | E | A | -1.7981 | |
| 275 | V | A | -0.5103 | |
| 276 | S | A | -0.3587 | |
| 277 | R | A | 0.0136 | |
| 278 | Y | A | 1.2673 | |
| 279 | V | A | 0.0000 | |
| 280 | H | A | 0.2845 | |
| 281 | G | A | -0.4988 | |
| 282 | S | A | -0.9668 | |
| 283 | K | A | -1.5627 | |
| 284 | G | A | 0.1800 | |
| 285 | I | A | 1.9585 | |
| 286 | I | A | 1.3356 | |
| 287 | D | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | F | A | 0.0000 | |
| 292 | N | A | 0.0000 | |
| 293 | T | A | -1.3309 | |
| 294 | K | A | -2.0396 | |
| 295 | D | A | 0.0000 | |
| 296 | M | A | 0.0000 | |
| 297 | K | A | -0.5571 | |
| 298 | L | A | 0.0855 | |
| 299 | G | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | I | A | 0.0000 | |
| 306 | D | A | -1.3678 | |
| 307 | F | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | R | A | -2.0870 | |
| 310 | K | A | -2.6115 | |
| 311 | S | A | 0.0000 | |
| 312 | E | A | -3.1996 | |
| 313 | D | A | 0.0000 | |
| 314 | Q | A | -2.5587 | |
| 315 | S | A | -1.9324 | |
| 316 | F | A | 0.0000 | |
| 317 | K | A | -2.2329 | |
| 318 | E | A | -2.5358 | |
| 319 | F | A | -1.2046 | |
| 320 | C | A | 0.0000 | |
| 321 | Y | A | -1.5140 | |
| 322 | G | A | -2.1177 | |
| 323 | K | A | -2.8689 | |
| 324 | N | A | -2.0021 | |
| 325 | L | A | -0.8640 | |
| 326 | A | A | -0.7209 | |
| 327 | P | A | -0.6935 | |
| 328 | V | A | -0.5217 | |
| 329 | D | A | -0.2638 | |
| 330 | L | A | 0.0000 | |
| 331 | D | A | 0.0000 | |
| 332 | R | A | -0.6049 | |
| 333 | I | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | N | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | F | A | 0.0000 | |
| 339 | Q | A | 0.0000 | |
| 340 | P | A | 0.0000 | |
| 341 | E | A | -0.1051 | |
| 342 | Y | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | 0.0000 | |
| 346 | R | A | -0.3259 | |
| 347 | M | A | -0.0088 | |
| 348 | V | A | 0.0000 | |
| 349 | S | A | -0.6401 | |
| 350 | T | A | 0.0000 | |
| 351 | E | A | -2.9041 | |
| 352 | N | A | -2.7107 | |
| 353 | F | A | -2.3345 | |
| 354 | K | A | -2.9744 | |
| 355 | K | A | -2.7834 | |
| 356 | V | A | 0.0000 | |
| 357 | K | A | -2.5115 | |
| 358 | I | A | -1.1376 | |
| 359 | R | A | -1.7702 | |
| 360 | E | A | -2.3939 | |
| 361 | I | A | 0.0000 | |
| 362 | S | A | -1.1999 | |
| 363 | L | A | -1.2961 | |
| 364 | E | A | -1.6302 | |
| 365 | E | A | -1.4488 | |
| 366 | A | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | T | A | -1.3592 | |
| 369 | A | A | -1.2609 | |
| 370 | S | A | -0.8746 | |
| 371 | N | A | 0.0000 | |
| 372 | Y | A | -1.5130 | |
| 373 | E | A | -3.0036 | |
| 374 | E | A | -2.4481 | |
| 375 | I | A | 0.0000 | |
| 376 | N | A | -2.7776 | |
| 377 | K | A | -2.9623 | |
| 378 | Q | A | -1.7786 | |
| 379 | V | A | 0.0000 | |
| 380 | T | A | -1.3591 | |
| 381 | N | A | -1.4028 | |
| 382 | K | A | -2.2178 | |
| 383 | K | A | -2.2735 | |
| 384 | I | A | -1.0722 | |
| 385 | A | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | Q | A | -1.3618 | |
| 388 | A | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | L | A | -0.6986 | |
| 392 | S | A | 0.0000 | |
| 393 | I | A | 0.0000 | |
| 394 | T | A | -0.6193 | |
| 395 | N | A | -1.4816 | |
| 396 | Q | A | -2.2529 | |
| 397 | K | A | 0.0000 | |
| 398 | E | A | -1.5502 | |
| 399 | D | A | -0.7542 | |
| 400 | V | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | L | A | -0.3886 | |
| 403 | Y | A | -0.1286 | |
| 404 | I | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | S | A | -0.8349 | |
| 407 | N | A | -1.4121 | |
| 408 | F | A | -1.2947 | |
| 409 | E | A | -1.9904 | |
| 410 | I | A | -1.6898 | |
| 411 | T | A | -1.5390 | |
| 412 | R | A | -2.0167 | |
| 413 | Q | A | -1.2346 | |
| 414 | D | A | -1.1036 | |
| 415 | V | A | 0.0000 | |
| 416 | I | A | 0.9008 | |
| 417 | S | A | -0.1876 | |
| 418 | I | A | -0.6449 | |
| 419 | K | A | -1.5293 | |
| 420 | H | A | -1.4504 | |
| 421 | E | A | -1.6266 | |
| 422 | L | A | -0.0054 | |
| 423 | Y | A | -0.3578 | |
| 424 | D | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | E | A | -0.8046 | |
| 427 | Y | A | -0.5719 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | S | A | 0.0000 | |
| 431 | A | A | -1.1297 | |
| 432 | H | A | -2.1391 | |
| 433 | N | A | -1.9739 | |
| 434 | S | A | -1.6213 | |
| 435 | S | A | -1.6090 | |
| 436 | C | A | -1.3680 | |
| 437 | K | A | -1.4400 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | E | A | -1.3090 | |
| 441 | Y | A | -1.1498 | |
| 442 | F | A | 0.0000 | |
| 443 | I | A | -1.5483 | |
| 444 | N | A | -2.0768 | |
| 445 | K | A | -2.5308 | |
| 446 | G | A | -1.9896 | |
| 447 | L | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | D | A | -2.1432 | |
| 450 | V | A | 0.0000 | |
| 451 | N | A | -1.4984 | |
| 452 | T | A | -1.8559 | |
| 453 | K | A | -2.8063 | |
| 454 | F | A | 0.0000 | |
| 455 | K | A | -2.7953 | |
| 456 | K | A | -2.3377 | |
| 457 | T | A | -1.1694 | |
| 458 | N | A | -1.7258 | |
| 459 | S | A | -2.1850 | |
| 460 | G | A | -2.2499 | |
| 461 | D | A | -2.1156 | |
| 462 | C | A | 0.0000 | |
| 463 | M | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | D | A | -0.9412 | |
| 466 | N | A | 0.0000 | |
| 467 | A | A | 0.0000 | |
| 468 | I | A | -0.4405 | |
| 469 | K | A | -1.9263 | |
| 470 | Y | A | -1.7918 | |
| 471 | E | A | -2.4365 | |
| 472 | N | A | -2.2317 | |
| 473 | A | A | -1.6475 | |
| 474 | E | A | -2.5132 | |
| 475 | M | A | 0.0000 | |
| 476 | I | A | -1.2340 | |
| 477 | K | A | -2.1897 | |
| 478 | L | A | -1.5210 | |
| 479 | L | A | 0.0000 | |
| 480 | L | A | -0.3640 | |
| 481 | K | A | -1.5533 | |
| 482 | Y | A | -0.9832 | |
| 483 | G | A | -0.6857 | |
| 484 | A | A | 0.0000 | |
| 485 | T | A | -0.5712 | |
| 486 | S | A | -1.0832 | |
| 487 | D | A | -2.2386 | |
| 488 | N | A | -1.4288 | |
| 489 | K | A | -1.1870 | |
| 490 | Y | A | 0.9452 | |
| 491 | I | A | 1.8823 |
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