| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFADIIKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEPQHEGADDRVPFSFDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRCGPEGHPLPAAPPPSPLYTPPPPSSPYAVLPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPAPNVYDPANFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:07)
|
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 | 1.9456 | |
| 2 | L | A | 1.9661 | |
| 3 | P | A | 0.8378 | |
| 4 | P | A | 0.3826 | |
| 5 | T | A | 0.1250 | |
| 6 | T | A | 0.1337 | |
| 7 | P | A | 0.1760 | |
| 8 | V | A | 1.2113 | |
| 9 | A | A | 0.0883 | |
| 10 | K | A | -1.0205 | |
| 11 | V | A | -0.1595 | |
| 12 | Q | A | -1.4016 | |
| 13 | S | A | -1.5475 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3998 | |
| 16 | E | A | -2.4302 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4627 | |
| 20 | P | A | 0.1298 | |
| 21 | T | A | 0.1580 | |
| 22 | S | A | -0.0984 | |
| 23 | L | A | 0.0897 | |
| 24 | F | A | -0.0378 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2844 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8889 | |
| 31 | R | A | -2.6663 | |
| 32 | L | A | -0.7854 | |
| 33 | L | A | 1.1663 | |
| 34 | T | A | 1.3682 | |
| 35 | V | A | 1.8238 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.3154 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.2715 | |
| 40 | A | A | 0.2341 | |
| 41 | D | A | 0.1915 | |
| 42 | I | A | 1.7183 | |
| 43 | I | A | 1.4932 | |
| 44 | K | A | -1.2244 | |
| 45 | D | A | -2.3866 | |
| 46 | G | A | -1.3891 | |
| 47 | K | A | -1.0181 | |
| 48 | V | A | 1.6859 | |
| 49 | V | A | 2.0956 | |
| 50 | V | A | 1.6357 | |
| 51 | P | A | 0.9034 | |
| 52 | K | A | 0.0571 | |
| 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 | -2.1530 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3969 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2664 | |
| 70 | K | A | -1.7883 | |
| 71 | F | A | -0.6386 | |
| 72 | A | A | -0.5828 | |
| 73 | L | A | -0.8716 | |
| 74 | P | A | -1.2059 | |
| 75 | Q | A | -2.5000 | |
| 76 | K | A | -3.1053 | |
| 77 | D | A | -2.9861 | |
| 78 | F | A | -1.6637 | |
| 79 | Y | A | -1.8848 | |
| 80 | D | A | -2.6847 | |
| 81 | P | A | -2.2997 | |
| 82 | E | A | -3.0440 | |
| 83 | K | A | -3.3929 | |
| 84 | E | A | -2.4567 | |
| 85 | R | A | -1.2885 | |
| 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 | -0.6743 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9568 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3373 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6865 | |
| 99 | G | A | -0.5383 | |
| 100 | P | A | -0.4100 | |
| 101 | L | A | 0.0304 | |
| 102 | G | A | -0.2250 | |
| 103 | K | A | -0.6500 | |
| 104 | G | A | -0.4690 | |
| 105 | T | A | -0.4603 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.0705 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.2185 | |
| 110 | L | A | 0.1172 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1085 | |
| 113 | K | A | -0.5535 | |
| 114 | L | A | -1.2641 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.3713 | |
| 117 | T | A | -0.8711 | |
| 118 | E | A | -1.8030 | |
| 119 | N | A | -2.1880 | |
| 120 | P | A | -2.0190 | |
| 121 | T | A | -1.7139 | |
| 122 | E | A | -2.5486 | |
| 123 | P | A | -1.7595 | |
| 124 | Q | A | -2.2222 | |
| 125 | H | A | -2.5464 | |
| 126 | E | A | -2.9159 | |
| 127 | G | A | -2.3211 | |
| 128 | A | A | -1.5673 | |
| 129 | D | A | -2.4753 | |
| 130 | D | A | -2.0735 | |
| 131 | R | A | -1.1729 | |
| 132 | V | A | -0.0486 | |
| 133 | P | A | 0.0538 | |
| 134 | F | A | 0.0731 | |
| 135 | S | A | -0.1667 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.5658 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | -0.2287 | |
| 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 | -0.5621 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2101 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1238 | |
| 157 | D | A | 0.2855 | |
| 158 | I | A | 0.8230 | |
| 159 | A | A | 0.1153 | |
| 160 | E | A | -1.4861 | |
| 161 | P | A | -0.2312 | |
| 162 | C | A | 0.1888 | |
| 163 | P | A | -0.1691 | |
| 164 | G | A | -0.0732 | |
| 165 | L | A | 0.6037 | |
| 166 | P | A | -0.1073 | |
| 167 | P | A | -0.3366 | |
| 168 | G | A | -0.4225 | |
| 169 | A | A | -0.0229 | |
| 170 | C | A | 0.7371 | |
| 171 | P | A | 0.5535 | |
| 172 | P | A | 0.7846 | |
| 173 | I | A | 2.0424 | |
| 174 | Q | A | 0.8537 | |
| 175 | L | A | 1.4634 | |
| 176 | V | A | 0.8423 | |
| 177 | N | A | -0.3008 | |
| 178 | S | A | 0.0272 | |
| 179 | V | A | 0.4349 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3851 | |
| 182 | D | A | 0.0843 | |
| 183 | G | A | -0.1572 | |
| 184 | D | A | -0.5442 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1237 | |
| 190 | F | A | 0.0618 | |
| 191 | G | A | -0.1057 | |
| 192 | N | A | -0.2707 | |
| 193 | M | A | -0.1330 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3820 | |
| 197 | E | A | -2.5906 | |
| 198 | L | A | -1.2060 | |
| 199 | Q | A | -2.5352 | |
| 200 | Q | A | -3.3120 | |
| 201 | D | A | -3.5912 | |
| 202 | R | A | -3.3425 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4680 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3621 | |
| 211 | S | A | -1.7010 | |
| 212 | T | A | -1.4500 | |
| 213 | R | A | -2.1159 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1652 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3405 | |
| 220 | L | A | 0.6037 | |
| 221 | K | A | -1.1104 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8137 | |
| 224 | N | A | -1.4932 | |
| 225 | E | A | -1.2367 | |
| 226 | A | A | -0.5991 | |
| 227 | Y | A | -0.3520 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6537 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0810 | |
| 234 | F | A | 0.2685 | |
| 235 | G | A | -0.8234 | |
| 236 | R | A | -2.6101 | |
| 237 | R | A | -2.9010 | |
| 238 | E | A | -2.1411 | |
| 239 | Q | A | -0.1780 | |
| 240 | V | A | 1.4518 | |
| 241 | Y | A | 1.1991 | |
| 242 | A | A | 0.1691 | |
| 243 | R | A | -1.1791 | |
| 244 | H | A | -1.0232 | |
| 245 | F | A | 0.0473 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5170 | |
| 249 | C | A | -1.3391 | |
| 250 | G | A | -1.2580 | |
| 251 | P | A | -1.0908 | |
| 252 | E | A | -1.3155 | |
| 253 | G | A | -1.2624 | |
| 254 | H | A | -1.4177 | |
| 255 | P | A | -0.8236 | |
| 256 | L | A | 0.4281 | |
| 257 | P | A | 0.0958 | |
| 258 | A | A | 0.2275 | |
| 259 | A | A | 0.0514 | |
| 260 | P | A | -0.5003 | |
| 261 | P | A | -0.4135 | |
| 262 | P | A | -0.3266 | |
| 263 | S | A | 0.0959 | |
| 264 | P | A | 0.4203 | |
| 265 | L | A | 1.5352 | |
| 266 | Y | A | 0.8427 | |
| 267 | T | A | 0.0919 | |
| 268 | P | A | 0.2338 | |
| 269 | P | A | 0.1825 | |
| 270 | P | A | -0.4014 | |
| 271 | P | A | -0.1545 | |
| 272 | S | A | -0.3465 | |
| 273 | S | A | 0.2234 | |
| 274 | P | A | 0.2618 | |
| 275 | Y | A | 1.3920 | |
| 276 | A | A | 1.1871 | |
| 277 | V | A | 2.2884 | |
| 278 | L | A | 1.7475 | |
| 279 | P | A | 0.1928 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.2670 | |
| 282 | D | A | -0.9183 | |
| 283 | Y | A | 0.8679 | |
| 284 | F | A | 0.6826 | |
| 285 | G | A | 0.2086 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8966 | |
| 291 | L | A | 1.6031 | |
| 292 | V | A | 0.6146 | |
| 293 | S | A | -0.1667 | |
| 294 | S | A | -0.9666 | |
| 295 | D | A | -1.8444 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1070 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6291 | |
| 301 | R | A | -1.8412 | |
| 302 | P | A | -0.9794 | |
| 303 | F | A | -0.1974 | |
| 304 | W | A | -0.5711 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0894 | |
| 307 | R | A | -2.8300 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2423 | |
| 310 | G | A | -1.2189 | |
| 311 | N | A | -1.2651 | |
| 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 | -0.8245 | |
| 319 | N | A | -0.8541 | |
| 320 | E | A | -1.0407 | |
| 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 | -0.3481 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1023 | |
| 333 | N | A | 0.5125 | |
| 334 | F | A | 1.6835 | |
| 335 | T | A | 0.8287 | |
| 336 | I | A | 0.3615 | |
| 337 | S | A | -1.0912 | |
| 338 | Q | A | -1.9516 | |
| 339 | Q | A | -1.7003 | |
| 340 | L | A | 0.2626 | |
| 341 | S | A | 0.0084 | |
| 342 | T | A | -0.1810 | |
| 343 | P | A | -0.4851 | |
| 344 | A | A | -0.1259 | |
| 345 | P | A | -0.1023 | |
| 346 | N | A | -0.3100 | |
| 347 | V | A | 1.4876 | |
| 348 | Y | A | 1.3739 | |
| 349 | D | A | -0.1959 | |
| 350 | P | A | -0.6212 | |
| 351 | A | A | -0.3457 | |
| 352 | N | A | -0.3617 | |
| 353 | F | A | -1.1101 | |
| 354 | K | A | -2.0702 | |
| 355 | N | A | -1.8870 | |
| 356 | Y | A | -0.1800 | |
| 357 | L | A | 0.6093 | |
| 358 | R | A | 0.9390 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3713 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0662 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0020 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6804 | |
| 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 | -0.3023 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3101 | |
| 376 | L | A | -1.7051 | |
| 377 | D | A | -1.9809 | |
| 378 | P | A | -1.0316 | |
| 379 | G | A | -1.0117 | |
| 380 | V | A | -0.9329 | |
| 381 | L | A | -0.5302 | |
| 382 | A | A | -0.6552 | |
| 383 | H | A | -0.8064 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4142 | |
| 386 | T | A | -0.5514 | |
| 387 | M | A | -0.2968 | |
| 388 | N | A | -0.8654 | |
| 389 | P | A | -1.2495 | |
| 390 | T | A | -1.4456 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4351 | |
| 393 | E | A | -2.7677 | |
| 394 | N | A | -2.3684 | |
| 395 | W | A | -1.3594 | |
| 396 | N | A | -1.0690 | |
| 397 | L | A | -0.1606 | |
| 398 | G | A | 0.5508 | |
| 399 | F | A | 2.4215 | |
| 400 | V | A | 1.8229 | |
| 401 | P | A | 0.0567 | |
| 402 | P | A | -1.8303 | |
| 403 | K | A | -3.3206 | |
| 404 | E | A | -3.7724 | |
| 405 | R | A | -3.9119 | |
| 406 | E | A | -3.7850 | |
| 407 | D | A | -2.8664 | |
| 408 | P | A | -1.7601 | |
| 409 | Y | A | -0.9786 | |
| 410 | K | A | -2.1187 | |
| 411 | G | A | -0.6266 | |
| 412 | L | A | 0.6910 | |
| 413 | I | A | 1.5967 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3846 | |
| 416 | E | A | -1.6794 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9499 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0549 | |
| 421 | E | A | -2.7838 | |
| 422 | R | A | -2.6386 | |
| 423 | F | A | -1.2845 | |
| 424 | S | A | -1.4693 | |
| 425 | Q | A | -1.8445 | |
| 426 | D | A | -2.9590 | |
| 427 | L | A | -2.1566 | |
| 428 | D | A | -3.0038 | |
| 429 | Q | A | -2.7427 | |
| 430 | F | A | -1.6115 | |
| 431 | A | A | -1.1401 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -2.2899 | |
| 435 | K | A | -1.0890 | |
| 436 | F | A | -0.1037 | |
| 437 | L | A | 0.7854 | |
| 438 | Y | A | 0.6261 | |
| 439 | Q | A | -0.3894 |
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