| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFSDIVKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEYVHEGADDRVDFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYVRSGPDGHPLPADPPPSPLYVPPPPDSPYAVLPSYNYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPEENVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:07)
|
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 | Y | A | 1.9464 | |
| 2 | L | A | 1.9692 | |
| 3 | P | A | 0.6488 | |
| 4 | P | A | 0.3648 | |
| 5 | T | A | 0.1198 | |
| 6 | T | A | 0.1267 | |
| 7 | P | A | 0.1824 | |
| 8 | V | A | 1.2268 | |
| 9 | A | A | 0.0409 | |
| 10 | K | A | -1.1500 | |
| 11 | V | A | -0.3811 | |
| 12 | Q | A | -1.5013 | |
| 13 | S | A | -1.5868 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4042 | |
| 16 | E | A | -2.4304 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4587 | |
| 20 | P | A | 0.1102 | |
| 21 | T | A | 0.1163 | |
| 22 | S | A | -0.1669 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0936 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2186 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7880 | |
| 31 | R | A | -2.6106 | |
| 32 | L | A | -0.7574 | |
| 33 | L | A | 1.2159 | |
| 34 | T | A | 1.4426 | |
| 35 | V | A | 1.9531 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.2407 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.1608 | |
| 40 | S | A | -0.0380 | |
| 41 | D | A | -0.1057 | |
| 42 | I | A | 1.4258 | |
| 43 | V | A | 1.1810 | |
| 44 | K | A | -1.3863 | |
| 45 | D | A | -2.4396 | |
| 46 | G | A | -1.4515 | |
| 47 | K | A | -1.0657 | |
| 48 | V | A | 1.6224 | |
| 49 | V | A | 2.0441 | |
| 50 | V | A | 1.5742 | |
| 51 | P | A | 0.8351 | |
| 52 | K | A | -0.0252 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | R | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.1066 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4620 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2942 | |
| 70 | K | A | -1.8123 | |
| 71 | F | A | -0.6725 | |
| 72 | A | A | -0.5814 | |
| 73 | L | A | -0.8702 | |
| 74 | P | A | -1.2713 | |
| 75 | Q | A | -2.4804 | |
| 76 | K | A | -3.0919 | |
| 77 | D | A | -2.9838 | |
| 78 | F | A | -1.6389 | |
| 79 | Y | A | -1.9032 | |
| 80 | D | A | -2.7285 | |
| 81 | P | A | -2.3376 | |
| 82 | E | A | -3.0594 | |
| 83 | K | A | -3.4264 | |
| 84 | E | A | -2.4876 | |
| 85 | R | A | -1.3033 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6270 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9737 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3228 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6756 | |
| 99 | G | A | -0.5409 | |
| 100 | P | A | -0.4361 | |
| 101 | L | A | -0.0148 | |
| 102 | G | A | -0.2727 | |
| 103 | K | A | -0.7172 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4599 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | -0.2127 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.4612 | |
| 110 | L | A | -0.3000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.3552 | |
| 113 | K | A | -0.7171 | |
| 114 | L | A | -0.9343 | |
| 115 | G | A | -0.8656 | |
| 116 | D | A | -1.3968 | |
| 117 | T | A | -0.9286 | |
| 118 | E | A | -1.8747 | |
| 119 | N | A | -2.2550 | |
| 120 | P | A | -1.7766 | |
| 121 | T | A | -1.4289 | |
| 122 | E | A | -1.7826 | |
| 123 | Y | A | 0.1655 | |
| 124 | V | A | -0.0507 | |
| 125 | H | A | -0.4676 | |
| 126 | E | A | -1.6983 | |
| 127 | G | A | -1.7807 | |
| 128 | A | A | -1.4748 | |
| 129 | D | A | -2.3942 | |
| 130 | D | A | -1.9355 | |
| 131 | R | A | -1.5292 | |
| 132 | V | A | -0.7180 | |
| 133 | D | A | -1.4352 | |
| 134 | F | A | -0.6510 | |
| 135 | S | A | -0.4865 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.7006 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -0.5548 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2350 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0791 | |
| 157 | D | A | 0.2303 | |
| 158 | L | A | 0.6086 | |
| 159 | A | A | 0.0366 | |
| 160 | E | A | -1.5242 | |
| 161 | P | A | -0.2978 | |
| 162 | C | A | 0.1629 | |
| 163 | P | A | -0.1853 | |
| 164 | G | A | -0.0854 | |
| 165 | L | A | 0.5720 | |
| 166 | P | A | -0.1192 | |
| 167 | P | A | -0.3437 | |
| 168 | G | A | -0.4223 | |
| 169 | A | A | -0.0217 | |
| 170 | C | A | 0.6566 | |
| 171 | P | A | 0.4764 | |
| 172 | P | A | 0.6884 | |
| 173 | I | A | 1.8545 | |
| 174 | Q | A | 0.7578 | |
| 175 | L | A | 1.4330 | |
| 176 | V | A | 0.8053 | |
| 177 | N | A | -0.3422 | |
| 178 | S | A | 0.0133 | |
| 179 | V | A | 0.4133 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3758 | |
| 182 | D | A | 0.0813 | |
| 183 | G | A | -0.1580 | |
| 184 | D | A | -0.5685 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1557 | |
| 190 | F | A | 0.0595 | |
| 191 | G | A | -0.1062 | |
| 192 | N | A | -0.2831 | |
| 193 | M | A | -0.1609 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3517 | |
| 197 | E | A | -2.5160 | |
| 198 | L | A | -1.2111 | |
| 199 | Q | A | -2.5064 | |
| 200 | Q | A | -3.3152 | |
| 201 | D | A | -3.5937 | |
| 202 | R | A | -3.3374 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4204 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4000 | |
| 211 | S | A | -1.7441 | |
| 212 | T | A | -1.4812 | |
| 213 | R | A | -2.1599 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1772 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3305 | |
| 220 | L | A | 0.5247 | |
| 221 | K | A | -1.2649 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8754 | |
| 224 | N | A | -1.5583 | |
| 225 | E | A | -1.3058 | |
| 226 | A | A | -0.6651 | |
| 227 | Y | A | -0.4070 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6985 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0956 | |
| 234 | F | A | 0.2927 | |
| 235 | G | A | -0.7866 | |
| 236 | R | A | -2.5611 | |
| 237 | R | A | -2.7742 | |
| 238 | E | A | -2.0167 | |
| 239 | Q | A | 0.0136 | |
| 240 | V | A | 1.5653 | |
| 241 | Y | A | 1.2418 | |
| 242 | A | A | 0.1426 | |
| 243 | R | A | -1.3086 | |
| 244 | H | A | -1.0405 | |
| 245 | F | A | 0.0611 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.6071 | |
| 249 | S | A | -1.2396 | |
| 250 | G | A | -1.0879 | |
| 251 | P | A | -1.0241 | |
| 252 | D | A | -1.1779 | |
| 253 | G | A | -1.2062 | |
| 254 | H | A | -1.3345 | |
| 255 | P | A | -0.6651 | |
| 256 | L | A | 0.1603 | |
| 257 | P | A | -0.5266 | |
| 258 | A | A | -0.5662 | |
| 259 | D | A | -2.0737 | |
| 260 | P | A | -1.6089 | |
| 261 | P | A | -0.7972 | |
| 262 | P | A | -0.2872 | |
| 263 | S | A | 0.0000 | |
| 264 | P | A | 0.5344 | |
| 265 | L | A | 1.8931 | |
| 266 | Y | A | 1.7470 | |
| 267 | V | A | 1.9278 | |
| 268 | P | A | 1.1172 | |
| 269 | P | A | 0.4573 | |
| 270 | P | A | -0.6358 | |
| 271 | P | A | -0.9184 | |
| 272 | D | A | -1.7004 | |
| 273 | S | A | -0.5383 | |
| 274 | P | A | 0.3913 | |
| 275 | Y | A | 1.4750 | |
| 276 | A | A | 0.9317 | |
| 277 | V | A | 2.0402 | |
| 278 | L | A | 1.9742 | |
| 279 | P | A | 0.6993 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.3047 | |
| 282 | N | A | -0.1294 | |
| 283 | Y | A | 1.2314 | |
| 284 | F | A | 0.9006 | |
| 285 | G | A | 0.2269 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8530 | |
| 291 | L | A | 1.6564 | |
| 292 | V | A | 0.6307 | |
| 293 | S | A | -0.1363 | |
| 294 | S | A | -0.9617 | |
| 295 | D | A | -1.8330 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1150 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6573 | |
| 301 | R | A | -1.9239 | |
| 302 | P | A | -0.9837 | |
| 303 | F | A | -0.1727 | |
| 304 | W | A | -0.5212 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0772 | |
| 307 | R | A | -2.8304 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2637 | |
| 310 | G | A | -1.2265 | |
| 311 | N | A | -1.3018 | |
| 312 | N | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | W | A | 0.0000 | |
| 318 | H | A | -0.9004 | |
| 319 | N | A | -0.8824 | |
| 320 | E | A | -1.0456 | |
| 321 | L | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | R | A | -0.3629 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1666 | |
| 333 | N | A | 0.4178 | |
| 334 | F | A | 1.4879 | |
| 335 | T | A | 0.7570 | |
| 336 | I | A | 0.3975 | |
| 337 | S | A | -1.0615 | |
| 338 | Q | A | -1.9061 | |
| 339 | Q | A | -1.6489 | |
| 340 | L | A | 0.2010 | |
| 341 | S | A | -0.2890 | |
| 342 | T | A | -0.8416 | |
| 343 | P | A | -1.3208 | |
| 344 | E | A | -2.5207 | |
| 345 | E | A | -2.6456 | |
| 346 | N | A | -1.5069 | |
| 347 | V | A | 0.5378 | |
| 348 | Y | A | 0.8469 | |
| 349 | D | A | -0.2475 | |
| 350 | P | A | -0.7039 | |
| 351 | S | A | -0.5823 | |
| 352 | N | A | -0.8731 | |
| 353 | F | A | -1.1537 | |
| 354 | K | A | -2.0172 | |
| 355 | N | A | -1.8168 | |
| 356 | Y | A | -0.1237 | |
| 357 | L | A | 0.5739 | |
| 358 | R | A | 0.9044 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4465 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0117 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9027 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6550 | |
| 367 | L | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | K | A | -0.3093 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3172 | |
| 376 | L | A | -1.7477 | |
| 377 | D | A | -2.0350 | |
| 378 | P | A | -1.0649 | |
| 379 | G | A | -1.0195 | |
| 380 | V | A | -0.9301 | |
| 381 | L | A | -0.5409 | |
| 382 | A | A | -0.6621 | |
| 383 | H | A | -0.8442 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4003 | |
| 386 | T | A | -0.5721 | |
| 387 | M | A | -0.3268 | |
| 388 | N | A | -0.8639 | |
| 389 | P | A | -1.2638 | |
| 390 | T | A | -1.5275 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5384 | |
| 393 | E | A | -2.9376 | |
| 394 | N | A | -2.6438 | |
| 395 | W | A | -1.5511 | |
| 396 | N | A | -1.4803 | |
| 397 | L | A | -0.2939 | |
| 398 | G | A | 0.4990 | |
| 399 | F | A | 2.4014 | |
| 400 | V | A | 1.8203 | |
| 401 | P | A | 0.0418 | |
| 402 | P | A | -1.8601 | |
| 403 | K | A | -3.5146 | |
| 404 | E | A | -3.8409 | |
| 405 | R | A | -4.0983 | |
| 406 | E | A | -3.8338 | |
| 407 | D | A | -2.8714 | |
| 408 | P | A | -1.7625 | |
| 409 | Y | A | -0.9768 | |
| 410 | K | A | -2.0878 | |
| 411 | G | A | -0.6433 | |
| 412 | L | A | 0.6632 | |
| 413 | I | A | 1.5819 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3886 | |
| 416 | E | A | -1.6486 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8968 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0135 | |
| 421 | E | A | -2.7032 | |
| 422 | R | A | -2.4043 | |
| 423 | F | A | -1.2178 | |
| 424 | S | A | -1.4317 | |
| 425 | Q | A | -1.8180 | |
| 426 | D | A | -2.9202 | |
| 427 | L | A | -2.0149 | |
| 428 | D | A | -2.8235 | |
| 429 | Q | A | -2.6380 | |
| 430 | F | A | -1.4418 | |
| 431 | A | A | -0.8934 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5529 | |
| 435 | K | A | -0.6969 | |
| 436 | F | A | 0.1759 | |
| 437 | L | A | 1.0463 | |
| 438 | Y | A | 0.8408 | |
| 439 | Q | A | -0.2526 |
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