| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFADIIKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGRGTVGHPLFNKLGDTENPTAPVHPGADDRVAFSFDPKQTQLFIVGCEPPTGEHWDLAPPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYVRSGPEGHPLPAAPPPSPLYVRPPPGSPHAVLPPTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPLPNIYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9502 | |
| 2 | L | A | 1.9735 | |
| 3 | P | A | 0.6501 | |
| 4 | P | A | 0.3553 | |
| 5 | T | A | 0.1092 | |
| 6 | T | A | 0.1275 | |
| 7 | P | A | 0.1690 | |
| 8 | V | A | 1.2178 | |
| 9 | A | A | 0.0183 | |
| 10 | K | A | -1.1746 | |
| 11 | V | A | -0.4358 | |
| 12 | Q | A | -1.5611 | |
| 13 | S | A | -1.6229 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4286 | |
| 16 | E | A | -2.4478 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4605 | |
| 20 | P | A | 0.1064 | |
| 21 | T | A | 0.1165 | |
| 22 | S | A | -0.1688 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0992 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.1516 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7110 | |
| 31 | R | A | -2.6139 | |
| 32 | L | A | -0.7653 | |
| 33 | L | A | 1.1407 | |
| 34 | T | A | 1.3604 | |
| 35 | V | A | 1.8679 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.3093 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.2701 | |
| 40 | A | A | 0.2340 | |
| 41 | D | A | 0.2021 | |
| 42 | I | A | 1.7069 | |
| 43 | I | A | 1.4992 | |
| 44 | K | A | -1.2298 | |
| 45 | D | A | -2.3774 | |
| 46 | G | A | -1.3738 | |
| 47 | K | A | -0.9734 | |
| 48 | V | A | 1.7679 | |
| 49 | V | A | 2.1407 | |
| 50 | V | A | 1.6907 | |
| 51 | P | A | 0.9584 | |
| 52 | K | A | 0.0887 | |
| 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 | -2.1091 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4663 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2613 | |
| 70 | K | A | -1.8065 | |
| 71 | F | A | -0.6585 | |
| 72 | A | A | -0.5749 | |
| 73 | L | A | -0.8686 | |
| 74 | P | A | -1.2658 | |
| 75 | Q | A | -2.4800 | |
| 76 | K | A | -3.0951 | |
| 77 | D | A | -2.9862 | |
| 78 | F | A | -1.6395 | |
| 79 | Y | A | -1.9103 | |
| 80 | D | A | -2.7488 | |
| 81 | P | A | -2.3461 | |
| 82 | E | A | -3.0680 | |
| 83 | K | A | -3.4395 | |
| 84 | E | A | -2.5036 | |
| 85 | R | A | -1.3129 | |
| 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 | -0.6548 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9624 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3396 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7464 | |
| 99 | G | A | -0.5307 | |
| 100 | P | A | -0.4251 | |
| 101 | L | A | -0.0548 | |
| 102 | G | A | -0.3638 | |
| 103 | R | A | -0.8974 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4263 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1694 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.3972 | |
| 110 | L | A | 0.2659 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1419 | |
| 113 | K | A | -0.4535 | |
| 114 | L | A | -0.9015 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.2653 | |
| 117 | T | A | -1.1123 | |
| 118 | E | A | -2.5074 | |
| 119 | N | A | -2.3071 | |
| 120 | P | A | -1.4939 | |
| 121 | T | A | -0.7739 | |
| 122 | A | A | -0.4038 | |
| 123 | P | A | -0.5067 | |
| 124 | V | A | -0.2585 | |
| 125 | H | A | -0.7874 | |
| 126 | P | A | -1.2896 | |
| 127 | G | A | -1.5087 | |
| 128 | A | A | -1.2917 | |
| 129 | D | A | -2.2656 | |
| 130 | D | A | -1.8123 | |
| 131 | R | A | -1.1606 | |
| 132 | V | A | 0.2187 | |
| 133 | A | A | 0.4265 | |
| 134 | F | A | 0.2700 | |
| 135 | S | A | -0.0328 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 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 | -0.5633 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2310 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1435 | |
| 157 | D | A | 0.4634 | |
| 158 | L | A | 1.0234 | |
| 159 | A | A | 0.8676 | |
| 160 | P | A | 0.0436 | |
| 161 | P | A | 0.3945 | |
| 162 | C | A | 0.4892 | |
| 163 | P | A | -0.0065 | |
| 164 | G | A | -0.1089 | |
| 165 | L | A | 0.5372 | |
| 166 | P | A | -0.1339 | |
| 167 | P | A | -0.3503 | |
| 168 | G | A | -0.4283 | |
| 169 | A | A | -0.0344 | |
| 170 | C | A | 0.6450 | |
| 171 | P | A | 0.7111 | |
| 172 | P | A | 0.9818 | |
| 173 | I | A | 2.2337 | |
| 174 | Q | A | 1.1879 | |
| 175 | L | A | 1.5407 | |
| 176 | V | A | 0.8629 | |
| 177 | N | A | -0.3019 | |
| 178 | S | A | 0.0278 | |
| 179 | V | A | 0.4231 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3690 | |
| 182 | D | A | 0.0785 | |
| 183 | G | A | -0.1623 | |
| 184 | D | A | -0.5828 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.4766 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1194 | |
| 190 | F | A | 0.0130 | |
| 191 | G | A | -0.1642 | |
| 192 | N | A | -0.3374 | |
| 193 | M | A | -0.1568 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3601 | |
| 197 | E | A | -2.5381 | |
| 198 | L | A | -1.2173 | |
| 199 | Q | A | -2.5056 | |
| 200 | Q | A | -3.3150 | |
| 201 | D | A | -3.5927 | |
| 202 | R | A | -3.3389 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4610 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3733 | |
| 211 | S | A | -1.7006 | |
| 212 | T | A | -1.4550 | |
| 213 | R | A | -2.1639 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.2171 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3095 | |
| 220 | L | A | 0.5235 | |
| 221 | K | A | -1.2685 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9503 | |
| 224 | N | A | -1.5578 | |
| 225 | E | A | -1.3010 | |
| 226 | A | A | -0.6754 | |
| 227 | Y | A | -0.4517 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7062 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1410 | |
| 234 | F | A | 0.0276 | |
| 235 | G | A | -0.9154 | |
| 236 | R | A | -2.6598 | |
| 237 | R | A | -2.9205 | |
| 238 | E | A | -2.1228 | |
| 239 | Q | A | -0.1313 | |
| 240 | V | A | 1.5614 | |
| 241 | Y | A | 1.2474 | |
| 242 | A | A | 0.1605 | |
| 243 | R | A | -1.2949 | |
| 244 | H | A | -1.1528 | |
| 245 | F | A | -0.1511 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.7834 | |
| 249 | S | A | -1.1919 | |
| 250 | G | A | -1.0559 | |
| 251 | P | A | -1.0405 | |
| 252 | E | A | -1.3722 | |
| 253 | G | A | -1.2644 | |
| 254 | H | A | -1.4124 | |
| 255 | P | A | -0.8117 | |
| 256 | L | A | 0.4798 | |
| 257 | P | A | 0.1228 | |
| 258 | A | A | 0.1853 | |
| 259 | A | A | 0.1001 | |
| 260 | P | A | -0.5323 | |
| 261 | P | A | -0.5196 | |
| 262 | P | A | -0.2072 | |
| 263 | S | A | 0.2464 | |
| 264 | P | A | 0.7007 | |
| 265 | L | A | 1.7419 | |
| 266 | Y | A | 1.3053 | |
| 267 | V | A | 1.0681 | |
| 268 | R | A | -0.9901 | |
| 269 | P | A | -0.6775 | |
| 270 | P | A | -0.9343 | |
| 271 | P | A | -0.8410 | |
| 272 | G | A | -0.6821 | |
| 273 | S | A | -0.6170 | |
| 274 | P | A | -0.5539 | |
| 275 | H | A | -0.7760 | |
| 276 | A | A | -0.0617 | |
| 277 | V | A | 1.4889 | |
| 278 | L | A | 1.0185 | |
| 279 | P | A | 0.0984 | |
| 280 | P | A | 0.0000 | |
| 281 | T | A | -0.2831 | |
| 282 | D | A | -0.9898 | |
| 283 | Y | A | 0.8227 | |
| 284 | F | A | 0.6960 | |
| 285 | G | A | 0.1390 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9699 | |
| 291 | L | A | 1.6272 | |
| 292 | V | A | 0.6167 | |
| 293 | S | A | -0.1731 | |
| 294 | S | A | -1.0031 | |
| 295 | D | A | -1.8744 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0573 | |
| 298 | L | A | -1.1911 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6683 | |
| 301 | R | A | -1.8979 | |
| 302 | P | A | -0.9626 | |
| 303 | F | A | -0.1839 | |
| 304 | W | A | -0.5207 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0851 | |
| 307 | R | A | -2.9274 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6559 | |
| 310 | G | A | -1.4238 | |
| 311 | N | A | -1.4081 | |
| 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 | -0.9369 | |
| 319 | N | A | -0.8837 | |
| 320 | E | A | -1.0457 | |
| 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 | -0.4529 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.2972 | |
| 333 | N | A | 0.3177 | |
| 334 | F | A | 1.4091 | |
| 335 | T | A | 0.7859 | |
| 336 | I | A | 0.4322 | |
| 337 | S | A | -0.9368 | |
| 338 | Q | A | -1.6538 | |
| 339 | Q | A | -0.8636 | |
| 340 | L | A | 0.4245 | |
| 341 | S | A | 0.4507 | |
| 342 | T | A | 0.3407 | |
| 343 | P | A | 0.3117 | |
| 344 | L | A | 1.5266 | |
| 345 | P | A | 0.7740 | |
| 346 | N | A | 0.2183 | |
| 347 | I | A | 1.9522 | |
| 348 | Y | A | 1.6524 | |
| 349 | D | A | -0.0942 | |
| 350 | P | A | -0.6641 | |
| 351 | S | A | -0.5857 | |
| 352 | N | A | -0.1586 | |
| 353 | F | A | -0.8537 | |
| 354 | K | A | -2.0090 | |
| 355 | N | A | -1.6910 | |
| 356 | Y | A | 0.0535 | |
| 357 | L | A | 0.6646 | |
| 358 | R | A | 0.8708 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.1644 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.1481 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9258 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6648 | |
| 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 | -0.2787 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3260 | |
| 376 | L | A | -1.7568 | |
| 377 | D | A | -2.0311 | |
| 378 | P | A | -1.0613 | |
| 379 | G | A | -1.0205 | |
| 380 | V | A | -0.9332 | |
| 381 | L | A | -0.5428 | |
| 382 | A | A | -0.6638 | |
| 383 | H | A | -0.8545 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4089 | |
| 386 | T | A | -0.5814 | |
| 387 | M | A | -0.3368 | |
| 388 | N | A | -0.8730 | |
| 389 | P | A | -1.2864 | |
| 390 | T | A | -1.6052 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5901 | |
| 393 | E | A | -3.0262 | |
| 394 | N | A | -2.8190 | |
| 395 | W | A | -1.6238 | |
| 396 | N | A | -1.5209 | |
| 397 | L | A | -0.2971 | |
| 398 | G | A | 0.4847 | |
| 399 | F | A | 2.3960 | |
| 400 | V | A | 1.8096 | |
| 401 | P | A | 0.0345 | |
| 402 | P | A | -1.9794 | |
| 403 | K | A | -3.6290 | |
| 404 | E | A | -4.0285 | |
| 405 | R | A | -4.4930 | |
| 406 | E | A | -4.0287 | |
| 407 | D | A | -2.9756 | |
| 408 | P | A | -1.8217 | |
| 409 | Y | A | -0.9886 | |
| 410 | K | A | -2.1029 | |
| 411 | G | A | -0.6340 | |
| 412 | L | A | 0.6659 | |
| 413 | I | A | 1.5808 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3981 | |
| 416 | E | A | -1.6685 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.8429 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -1.8882 | |
| 421 | E | A | -2.5064 | |
| 422 | R | A | -2.0108 | |
| 423 | F | A | -1.0241 | |
| 424 | S | A | -1.3218 | |
| 425 | Q | A | -1.7841 | |
| 426 | D | A | -2.8959 | |
| 427 | L | A | -1.9975 | |
| 428 | D | A | -2.7893 | |
| 429 | Q | A | -2.6171 | |
| 430 | F | A | -1.4408 | |
| 431 | A | A | -0.8956 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5752 | |
| 435 | K | A | -0.7170 | |
| 436 | F | A | 0.1575 | |
| 437 | L | A | 1.0360 | |
| 438 | Y | A | 0.8297 | |
| 439 | Q | A | -0.2617 |
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