| Chain sequence(s) |
A: GPLPENPEPELVSTDEYVTPTDLYYYAETDLITEEGHPFEDIVVDGKVVIKRVSAYDYLVFKLKLPDPNKLPLPSEDFLDKSTEIAIWRLEAYYIKRFGPLGVGTYGHAHFNALGDVTNPTEVQHEGADDTKALSWTPVRKQFYIIGDEPPIGKYTAKAPPAPGLPPGAIPPTTTVSTIIEHGDRADIGFGAKDYKELDPEKDNVPDIILNTTTKVPDIDGMKAEETGRRMFDYDERESSKNVKTYRRDGPVLVPLPAAPPPSPLYVPPPPSSPEYVLPSYDLFTLPDRGEITEEDLLFNRPVFLKKTSGKNNGILWGNQLYITVLDNTRDEIERIRTQISTPEPNVYDPSNYVESLRYKREYKISLIVRLCKIPLTPEVLELLNRIDPRILINANLPFIPPKTFPDPYAGKKFKEIDLTNKLSSDLSKSWLGRLYLNR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | G | A | -0.2458 | |
| 2 | P | A | -0.0993 | |
| 3 | L | A | 0.4748 | |
| 4 | P | A | -1.2168 | |
| 5 | E | A | -2.4542 | |
| 6 | N | A | -2.6632 | |
| 7 | P | A | -2.4214 | |
| 8 | E | A | -3.1336 | |
| 9 | P | A | -2.1277 | |
| 10 | E | A | -2.4368 | |
| 11 | L | A | 0.0000 | |
| 12 | V | A | -0.5889 | |
| 13 | S | A | -1.3206 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.5509 | |
| 16 | E | A | -2.4226 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.8262 | |
| 20 | P | A | -0.8484 | |
| 21 | T | A | 0.0000 | |
| 22 | D | A | -1.6297 | |
| 23 | L | A | -0.4998 | |
| 24 | Y | A | -0.1537 | |
| 25 | Y | A | 0.1193 | |
| 26 | Y | A | -0.3194 | |
| 27 | A | A | 0.0000 | |
| 28 | E | A | -0.8105 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -1.3110 | |
| 31 | L | A | 0.3258 | |
| 32 | I | A | 0.0905 | |
| 33 | T | A | -0.5807 | |
| 34 | E | A | -1.6360 | |
| 35 | E | A | -2.6542 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -1.7657 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -1.0379 | |
| 40 | E | A | -2.2525 | |
| 41 | D | A | -1.3399 | |
| 42 | I | A | 0.8929 | |
| 43 | V | A | 1.8465 | |
| 44 | V | A | 1.5261 | |
| 45 | D | A | -1.0213 | |
| 46 | G | A | -0.6491 | |
| 47 | K | A | -0.3453 | |
| 48 | V | A | 1.2341 | |
| 49 | V | A | 2.1658 | |
| 50 | I | A | 0.3093 | |
| 51 | K | A | -1.7008 | |
| 52 | R | A | -2.0935 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | K | A | -1.9671 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -3.0593 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4416 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.5814 | |
| 70 | K | A | -1.8065 | |
| 71 | L | A | -0.7166 | |
| 72 | P | A | -0.6491 | |
| 73 | L | A | -0.6693 | |
| 74 | P | A | -0.7019 | |
| 75 | S | A | -1.5624 | |
| 76 | E | A | -2.9196 | |
| 77 | D | A | -3.1409 | |
| 78 | F | A | -1.7416 | |
| 79 | L | A | 0.0000 | |
| 80 | D | A | -3.3179 | |
| 81 | K | A | -2.9686 | |
| 82 | S | A | -1.5239 | |
| 83 | T | A | -1.3766 | |
| 84 | E | A | -1.6951 | |
| 85 | I | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -0.3289 | |
| 90 | L | A | 0.0000 | |
| 91 | E | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | K | A | -0.6502 | |
| 97 | R | A | 0.0000 | |
| 98 | F | A | 0.3542 | |
| 99 | G | A | -0.4127 | |
| 100 | P | A | -0.3154 | |
| 101 | L | A | 0.1373 | |
| 102 | G | A | 0.2652 | |
| 103 | V | A | 0.7951 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.0326 | |
| 106 | Y | A | 0.0000 | |
| 107 | G | A | -0.5830 | |
| 108 | H | A | -1.1732 | |
| 109 | A | A | -0.7981 | |
| 110 | H | A | -1.8466 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -0.9753 | |
| 117 | V | A | -0.3390 | |
| 118 | T | A | -0.6751 | |
| 119 | N | A | -1.7813 | |
| 120 | P | A | -1.1125 | |
| 121 | T | A | -1.0656 | |
| 122 | E | A | -1.4593 | |
| 123 | V | A | 0.3168 | |
| 124 | Q | A | -1.0291 | |
| 125 | H | A | -2.0205 | |
| 126 | E | A | -2.1213 | |
| 127 | G | A | -1.9379 | |
| 128 | A | A | -1.9113 | |
| 129 | D | A | -2.7196 | |
| 130 | D | A | -2.2314 | |
| 131 | T | A | -1.4350 | |
| 132 | K | A | -1.0358 | |
| 133 | A | A | -0.4025 | |
| 134 | L | A | -0.1657 | |
| 135 | S | A | -0.1796 | |
| 136 | W | A | 0.0000 | |
| 137 | T | A | 0.0584 | |
| 138 | P | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | R | A | -1.1802 | |
| 141 | K | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | E | A | -0.3064 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | I | A | 0.0496 | |
| 153 | G | A | 0.0000 | |
| 154 | K | A | -0.4285 | |
| 155 | Y | A | -0.2879 | |
| 156 | T | A | -0.4990 | |
| 157 | A | A | -1.2460 | |
| 158 | K | A | -1.6511 | |
| 159 | A | A | -0.7649 | |
| 160 | P | A | -0.6971 | |
| 161 | P | A | -0.2741 | |
| 162 | A | A | -0.1636 | |
| 163 | P | A | -0.3292 | |
| 164 | G | A | -0.2697 | |
| 165 | L | A | 0.5716 | |
| 166 | P | A | 0.0311 | |
| 167 | P | A | -0.1929 | |
| 168 | G | A | 0.2157 | |
| 169 | A | A | 1.0188 | |
| 170 | I | A | 2.0069 | |
| 171 | P | A | 0.3699 | |
| 172 | P | A | -0.0451 | |
| 173 | T | A | -0.3811 | |
| 174 | T | A | -0.3893 | |
| 175 | T | A | -0.2566 | |
| 176 | V | A | -0.0904 | |
| 177 | S | A | -0.1679 | |
| 178 | T | A | -0.0499 | |
| 179 | I | A | -0.3178 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | -1.2276 | |
| 182 | H | A | -1.4250 | |
| 183 | G | A | -0.8754 | |
| 184 | D | A | -0.7514 | |
| 185 | R | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | D | A | -0.2108 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | -0.2872 | |
| 190 | F | A | -0.0149 | |
| 191 | G | A | -0.2403 | |
| 192 | A | A | -0.3368 | |
| 193 | K | A | -1.0785 | |
| 194 | D | A | -1.6868 | |
| 195 | Y | A | 0.0000 | |
| 196 | K | A | -3.5655 | |
| 197 | E | A | -3.2542 | |
| 198 | L | A | -1.7370 | |
| 199 | D | A | 0.0000 | |
| 200 | P | A | -2.7373 | |
| 201 | E | A | -3.3573 | |
| 202 | K | A | -3.5267 | |
| 203 | D | A | -2.3235 | |
| 204 | N | A | -1.4770 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | D | A | -1.9817 | |
| 208 | I | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | -1.7628 | |
| 211 | N | A | -2.4798 | |
| 212 | T | A | -1.3591 | |
| 213 | T | A | -1.0158 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | V | A | 0.1027 | |
| 217 | P | A | -0.2415 | |
| 218 | D | A | -1.0137 | |
| 219 | I | A | -1.3219 | |
| 220 | D | A | -2.5173 | |
| 221 | G | A | -1.7966 | |
| 222 | M | A | 0.0000 | |
| 223 | K | A | -2.9069 | |
| 224 | A | A | -2.0645 | |
| 225 | E | A | -2.3656 | |
| 226 | E | A | -2.5924 | |
| 227 | T | A | -1.3914 | |
| 228 | G | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | R | A | -0.6371 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -0.6327 | |
| 234 | Y | A | -0.4868 | |
| 235 | D | A | -1.2777 | |
| 236 | E | A | -1.8713 | |
| 237 | R | A | -2.1827 | |
| 238 | E | A | -2.2805 | |
| 239 | S | A | -1.7519 | |
| 240 | S | A | -1.8225 | |
| 241 | K | A | -2.2049 | |
| 242 | N | A | -1.6877 | |
| 243 | V | A | -0.2237 | |
| 244 | K | A | -0.9265 | |
| 245 | T | A | -0.2255 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0262 | |
| 248 | R | A | -0.5871 | |
| 249 | D | A | -1.5242 | |
| 250 | G | A | -0.9529 | |
| 251 | P | A | 0.0546 | |
| 252 | V | A | 1.3954 | |
| 253 | L | A | 2.6586 | |
| 254 | V | A | 2.7229 | |
| 255 | P | A | 1.4709 | |
| 256 | L | A | 1.7539 | |
| 257 | P | A | 0.7486 | |
| 258 | A | A | 0.5481 | |
| 259 | A | A | 0.4233 | |
| 260 | P | A | -0.2078 | |
| 261 | P | A | 0.0662 | |
| 262 | P | A | 0.1105 | |
| 263 | S | A | 0.6278 | |
| 264 | P | A | 0.7214 | |
| 265 | L | A | 1.9161 | |
| 266 | Y | A | 1.7106 | |
| 267 | V | A | 1.9571 | |
| 268 | P | A | 0.0000 | |
| 269 | P | A | 0.0426 | |
| 270 | P | A | -0.5494 | |
| 271 | P | A | -0.4688 | |
| 272 | S | A | -0.5183 | |
| 273 | S | A | -0.6708 | |
| 274 | P | A | -0.7296 | |
| 275 | E | A | -1.2361 | |
| 276 | Y | A | 0.1221 | |
| 277 | V | A | 1.2967 | |
| 278 | L | A | 1.0051 | |
| 279 | P | A | -0.0795 | |
| 280 | S | A | 0.5456 | |
| 281 | Y | A | 0.8693 | |
| 282 | D | A | 0.0064 | |
| 283 | L | A | 1.0611 | |
| 284 | F | A | 0.5464 | |
| 285 | T | A | -0.1655 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | D | A | -1.2459 | |
| 289 | R | A | 0.0000 | |
| 290 | G | A | -1.7969 | |
| 291 | E | A | -1.9494 | |
| 292 | I | A | -1.1699 | |
| 293 | T | A | -2.0013 | |
| 294 | E | A | -2.9241 | |
| 295 | E | A | -3.1680 | |
| 296 | D | A | -2.6929 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.2793 | |
| 301 | R | A | -1.6754 | |
| 302 | P | A | -0.5114 | |
| 303 | V | A | -0.0343 | |
| 304 | F | A | -0.1704 | |
| 305 | L | A | -0.9406 | |
| 306 | K | A | -2.3025 | |
| 307 | K | A | -2.7753 | |
| 308 | T | A | 0.0000 | |
| 309 | S | A | -1.1660 | |
| 310 | G | A | -1.5703 | |
| 311 | K | A | -1.6004 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -1.0890 | |
| 319 | N | A | -1.1842 | |
| 320 | Q | A | -1.5175 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | D | A | 0.0000 | |
| 332 | E | A | -1.4134 | |
| 333 | I | A | 0.0000 | |
| 334 | E | A | -2.3870 | |
| 335 | R | A | -2.3672 | |
| 336 | I | A | -0.7208 | |
| 337 | R | A | -1.7361 | |
| 338 | T | A | -0.6150 | |
| 339 | Q | A | -0.4106 | |
| 340 | I | A | 1.5458 | |
| 341 | S | A | 0.3806 | |
| 342 | T | A | -0.3755 | |
| 343 | P | A | -0.8124 | |
| 344 | E | A | -1.7022 | |
| 345 | P | A | -1.0834 | |
| 346 | N | A | -0.8549 | |
| 347 | V | A | 0.8807 | |
| 348 | Y | A | 0.9700 | |
| 349 | D | A | -0.3310 | |
| 350 | P | A | -0.2257 | |
| 351 | S | A | 0.0384 | |
| 352 | N | A | -0.0620 | |
| 353 | Y | A | 0.1848 | |
| 354 | V | A | 0.3477 | |
| 355 | E | A | -1.6781 | |
| 356 | S | A | -1.0186 | |
| 357 | L | A | -1.0504 | |
| 358 | R | A | -1.6039 | |
| 359 | Y | A | 0.0000 | |
| 360 | K | A | -1.9985 | |
| 361 | R | A | 0.0000 | |
| 362 | E | A | -0.3499 | |
| 363 | Y | A | 0.0000 | |
| 364 | K | A | -0.4920 | |
| 365 | I | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -0.4149 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.6039 | |
| 374 | I | A | 0.0000 | |
| 375 | P | A | -0.8717 | |
| 376 | L | A | -0.8209 | |
| 377 | T | A | -0.9512 | |
| 378 | P | A | -1.5182 | |
| 379 | E | A | -2.5498 | |
| 380 | V | A | 0.0000 | |
| 381 | L | A | -1.6525 | |
| 382 | E | A | -2.8715 | |
| 383 | L | A | -1.8562 | |
| 384 | L | A | 0.0000 | |
| 385 | N | A | -2.1893 | |
| 386 | R | A | -1.6601 | |
| 387 | I | A | -0.9879 | |
| 388 | D | A | 0.0000 | |
| 389 | P | A | -1.0563 | |
| 390 | R | A | -1.1418 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | I | A | -1.3843 | |
| 394 | N | A | -1.9316 | |
| 395 | A | A | -1.3463 | |
| 396 | N | A | -1.6391 | |
| 397 | L | A | 0.0000 | |
| 398 | P | A | 0.2114 | |
| 399 | F | A | 1.7081 | |
| 400 | I | A | 0.5986 | |
| 401 | P | A | -0.3715 | |
| 402 | P | A | -1.1634 | |
| 403 | K | A | -1.8631 | |
| 404 | T | A | -0.7390 | |
| 405 | F | A | 0.1029 | |
| 406 | P | A | -0.5338 | |
| 407 | D | A | -1.3914 | |
| 408 | P | A | -0.8989 | |
| 409 | Y | A | 0.0000 | |
| 410 | A | A | -1.2894 | |
| 411 | G | A | -1.4599 | |
| 412 | K | A | -2.0636 | |
| 413 | K | A | -2.7052 | |
| 414 | F | A | -1.9230 | |
| 415 | K | A | -2.0706 | |
| 416 | E | A | -3.0656 | |
| 417 | I | A | -2.4317 | |
| 418 | D | A | -3.2004 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8282 | |
| 421 | N | A | -2.0275 | |
| 422 | K | A | -1.6881 | |
| 423 | L | A | -0.5703 | |
| 424 | S | A | -0.7748 | |
| 425 | S | A | -0.5330 | |
| 426 | D | A | -1.3409 | |
| 427 | L | A | 0.0000 | |
| 428 | S | A | -1.2846 | |
| 429 | K | A | -2.0805 | |
| 430 | S | A | 0.0000 | |
| 431 | W | A | -0.0155 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.1381 | |
| 435 | L | A | -0.1517 | |
| 436 | Y | A | 0.0513 | |
| 437 | L | A | 0.1483 | |
| 438 | N | A | -1.5066 | |
| 439 | R | A | -1.8834 |
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