| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVVNGKVLVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTAYQRDTADVRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGVPLPAAPPPSPLYTPPPASSPYAVPPPTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLSTPEPNVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9469 | |
| 2 | L | A | 1.9685 | |
| 3 | P | A | 0.6497 | |
| 4 | P | A | 0.3791 | |
| 5 | T | A | 0.1251 | |
| 6 | T | A | 0.1326 | |
| 7 | P | A | 0.1981 | |
| 8 | V | A | 1.2219 | |
| 9 | A | A | 0.0398 | |
| 10 | K | A | -1.1525 | |
| 11 | V | A | -0.3889 | |
| 12 | Q | A | -1.5173 | |
| 13 | S | A | -1.6003 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4267 | |
| 16 | E | A | -2.4425 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4560 | |
| 20 | P | A | 0.1050 | |
| 21 | T | A | 0.1167 | |
| 22 | S | A | -0.1695 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0961 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2831 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8824 | |
| 31 | R | A | -2.6505 | |
| 32 | L | A | -0.7759 | |
| 33 | L | A | 1.1704 | |
| 34 | T | A | 1.5439 | |
| 35 | V | A | 1.8099 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2706 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6465 | |
| 40 | K | A | -1.7205 | |
| 41 | D | A | -0.7946 | |
| 42 | I | A | 1.2015 | |
| 43 | V | A | 2.1706 | |
| 44 | V | A | 1.6523 | |
| 45 | N | A | -0.5205 | |
| 46 | G | A | -0.3660 | |
| 47 | K | A | -0.1326 | |
| 48 | V | A | 2.0113 | |
| 49 | L | A | 2.5223 | |
| 50 | V | A | 1.4416 | |
| 51 | P | A | 0.3149 | |
| 52 | K | A | -0.7091 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | 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 | -2.1433 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4681 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2970 | |
| 70 | K | A | -1.8133 | |
| 71 | F | A | -0.6673 | |
| 72 | A | A | -0.5701 | |
| 73 | L | A | -0.8608 | |
| 74 | P | A | -1.2607 | |
| 75 | Q | A | -2.4786 | |
| 76 | K | A | -3.0953 | |
| 77 | D | A | -2.9902 | |
| 78 | F | A | -1.6457 | |
| 79 | Y | A | -1.9240 | |
| 80 | D | A | -2.7517 | |
| 81 | P | A | -2.3434 | |
| 82 | E | A | -3.0662 | |
| 83 | K | A | -3.4405 | |
| 84 | E | A | -2.5003 | |
| 85 | R | A | -1.3087 | |
| 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 | -0.6296 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9551 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3128 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6767 | |
| 99 | G | A | -0.5397 | |
| 100 | P | A | -0.4185 | |
| 101 | L | A | 0.0093 | |
| 102 | G | A | -0.2981 | |
| 103 | K | A | -0.7864 | |
| 104 | G | A | -0.5352 | |
| 105 | T | A | -0.4897 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1486 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4302 | |
| 110 | L | A | 0.4157 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.0007 | |
| 113 | K | A | -0.5137 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.5376 | |
| 117 | T | A | -1.2868 | |
| 118 | E | A | -2.6617 | |
| 119 | N | A | -2.3909 | |
| 120 | P | A | -1.5840 | |
| 121 | T | A | -0.8233 | |
| 122 | A | A | -0.5229 | |
| 123 | Y | A | -0.2504 | |
| 124 | Q | A | -1.8270 | |
| 125 | R | A | -2.5009 | |
| 126 | D | A | -2.8722 | |
| 127 | T | A | -1.9068 | |
| 128 | A | A | -1.3761 | |
| 129 | D | A | -2.0252 | |
| 130 | V | A | -1.4982 | |
| 131 | R | A | -0.7819 | |
| 132 | V | A | 0.3745 | |
| 133 | A | A | 0.4424 | |
| 134 | F | A | 0.2791 | |
| 135 | S | A | -0.0723 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.7107 | |
| 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 | -0.2169 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1858 | |
| 157 | D | A | 0.3631 | |
| 158 | L | A | 0.6627 | |
| 159 | A | A | 0.1763 | |
| 160 | E | A | -1.4448 | |
| 161 | P | A | -0.2145 | |
| 162 | C | A | 0.1892 | |
| 163 | P | A | -0.1596 | |
| 164 | G | A | -0.0614 | |
| 165 | L | A | 0.6244 | |
| 166 | P | A | -0.1012 | |
| 167 | P | A | -0.3339 | |
| 168 | G | A | -0.4181 | |
| 169 | A | A | 0.2955 | |
| 170 | C | A | 1.0138 | |
| 171 | P | A | 0.5383 | |
| 172 | P | A | 0.6926 | |
| 173 | I | A | 2.0033 | |
| 174 | Q | A | 0.8672 | |
| 175 | L | A | 1.5096 | |
| 176 | V | A | 0.8539 | |
| 177 | N | A | -0.3348 | |
| 178 | S | A | 0.0186 | |
| 179 | V | A | 0.4177 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3748 | |
| 182 | D | A | 0.0776 | |
| 183 | G | A | -0.1617 | |
| 184 | D | A | -0.5528 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.4612 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1096 | |
| 190 | F | A | 0.0182 | |
| 191 | G | A | -0.1559 | |
| 192 | N | A | -0.3033 | |
| 193 | M | A | -0.1178 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.2980 | |
| 197 | E | A | -2.5575 | |
| 198 | L | A | -1.1912 | |
| 199 | Q | A | -2.5326 | |
| 200 | Q | A | -3.3151 | |
| 201 | D | A | -3.5919 | |
| 202 | R | A | -3.3305 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.1895 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3554 | |
| 211 | S | A | -1.8736 | |
| 212 | T | A | -1.4135 | |
| 213 | R | A | -2.0597 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.2037 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2943 | |
| 220 | L | A | 0.4990 | |
| 221 | K | A | -1.3152 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9653 | |
| 224 | N | A | -1.5762 | |
| 225 | E | A | -1.3171 | |
| 226 | A | A | -0.6625 | |
| 227 | Y | A | -0.4383 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7112 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1389 | |
| 234 | F | A | 0.0429 | |
| 235 | G | A | -0.9394 | |
| 236 | R | A | -2.7266 | |
| 237 | R | A | -3.0355 | |
| 238 | E | A | -2.1792 | |
| 239 | Q | A | -0.0938 | |
| 240 | V | A | 1.5796 | |
| 241 | Y | A | 1.2549 | |
| 242 | A | A | 0.1684 | |
| 243 | R | A | -1.3355 | |
| 244 | H | A | -1.1873 | |
| 245 | F | A | -0.1985 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.7658 | |
| 249 | A | A | -1.4848 | |
| 250 | G | A | -1.2635 | |
| 251 | P | A | -0.7366 | |
| 252 | D | A | -0.3526 | |
| 253 | G | A | 0.0721 | |
| 254 | V | A | 1.3191 | |
| 255 | P | A | 0.3917 | |
| 256 | L | A | 1.0712 | |
| 257 | P | A | 0.5038 | |
| 258 | A | A | 0.1532 | |
| 259 | A | A | 0.0089 | |
| 260 | P | A | -0.5154 | |
| 261 | P | A | -0.4029 | |
| 262 | P | A | -0.3022 | |
| 263 | S | A | 0.1862 | |
| 264 | P | A | 0.4282 | |
| 265 | L | A | 1.5653 | |
| 266 | Y | A | 0.9515 | |
| 267 | T | A | 0.1236 | |
| 268 | P | A | 0.2867 | |
| 269 | P | A | 0.2507 | |
| 270 | P | A | -0.2109 | |
| 271 | A | A | 0.1919 | |
| 272 | S | A | -0.1601 | |
| 273 | S | A | 0.3318 | |
| 274 | P | A | 0.4327 | |
| 275 | Y | A | 1.3976 | |
| 276 | A | A | 1.2193 | |
| 277 | V | A | 1.8962 | |
| 278 | P | A | 0.9487 | |
| 279 | P | A | -0.3597 | |
| 280 | P | A | -0.4685 | |
| 281 | T | A | -0.1740 | |
| 282 | D | A | -0.6648 | |
| 283 | Y | A | 0.8493 | |
| 284 | F | A | 0.6997 | |
| 285 | G | A | 0.1389 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.8254 | |
| 291 | L | A | 1.6135 | |
| 292 | V | A | 0.5631 | |
| 293 | S | A | -0.1719 | |
| 294 | S | A | -0.9693 | |
| 295 | D | A | -1.8456 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1514 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6249 | |
| 301 | R | A | -1.8555 | |
| 302 | P | A | -0.9530 | |
| 303 | F | A | -0.1720 | |
| 304 | W | A | -0.5092 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0784 | |
| 307 | R | A | -2.9237 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6553 | |
| 310 | G | A | -1.4251 | |
| 311 | N | A | -1.3890 | |
| 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 | -0.8741 | |
| 319 | N | A | -0.8852 | |
| 320 | E | A | -1.0494 | |
| 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 | -0.3848 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1509 | |
| 333 | N | A | 0.5114 | |
| 334 | F | A | 1.7191 | |
| 335 | T | A | 0.8869 | |
| 336 | I | A | 0.4593 | |
| 337 | S | A | -1.0709 | |
| 338 | Q | A | -1.9424 | |
| 339 | Q | A | -1.6820 | |
| 340 | L | A | 0.1882 | |
| 341 | S | A | -0.2715 | |
| 342 | T | A | -0.6262 | |
| 343 | P | A | -0.9126 | |
| 344 | E | A | -1.7948 | |
| 345 | P | A | -1.1419 | |
| 346 | N | A | -0.7963 | |
| 347 | V | A | 1.0205 | |
| 348 | Y | A | 1.0901 | |
| 349 | D | A | -0.2391 | |
| 350 | P | A | -0.7369 | |
| 351 | S | A | -0.6007 | |
| 352 | N | A | -0.7459 | |
| 353 | F | A | -1.2123 | |
| 354 | K | A | -2.0996 | |
| 355 | N | A | -1.8534 | |
| 356 | Y | A | -0.0925 | |
| 357 | L | A | 0.6728 | |
| 358 | R | A | 0.9796 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3595 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0357 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9376 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6675 | |
| 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 | -0.3063 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3278 | |
| 376 | L | A | -1.7624 | |
| 377 | D | A | -2.0473 | |
| 378 | P | A | -1.0681 | |
| 379 | G | A | -1.0236 | |
| 380 | V | A | -0.9305 | |
| 381 | L | A | -0.5455 | |
| 382 | A | A | -0.6658 | |
| 383 | H | A | -0.8502 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4067 | |
| 386 | T | A | -0.5785 | |
| 387 | M | A | -0.3324 | |
| 388 | N | A | -0.8714 | |
| 389 | P | A | -1.2649 | |
| 390 | T | A | -1.4925 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4969 | |
| 393 | E | A | -2.8683 | |
| 394 | N | A | -2.7406 | |
| 395 | W | A | -1.4787 | |
| 396 | N | A | -1.3406 | |
| 397 | L | A | -0.2332 | |
| 398 | G | A | 0.5336 | |
| 399 | F | A | 2.4190 | |
| 400 | V | A | 1.8518 | |
| 401 | P | A | 0.0574 | |
| 402 | P | A | -1.8225 | |
| 403 | K | A | -3.4597 | |
| 404 | E | A | -3.8782 | |
| 405 | R | A | -3.9597 | |
| 406 | E | A | -3.7669 | |
| 407 | D | A | -2.8327 | |
| 408 | P | A | -1.7376 | |
| 409 | Y | A | -0.9743 | |
| 410 | K | A | -2.0895 | |
| 411 | G | A | -0.6316 | |
| 412 | L | A | 0.6683 | |
| 413 | I | A | 1.5826 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3987 | |
| 416 | E | A | -1.6737 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9442 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0793 | |
| 421 | E | A | -2.8011 | |
| 422 | R | A | -2.6015 | |
| 423 | F | A | -1.3093 | |
| 424 | S | A | -1.4678 | |
| 425 | Q | A | -1.7755 | |
| 426 | D | A | -2.8930 | |
| 427 | L | A | -2.0032 | |
| 428 | D | A | -2.7939 | |
| 429 | Q | A | -2.6197 | |
| 430 | F | A | -1.4498 | |
| 431 | A | A | -0.9194 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6288 | |
| 435 | K | A | -0.7651 | |
| 436 | F | A | 0.1385 | |
| 437 | L | A | 1.0186 | |
| 438 | Y | A | 0.8121 | |
| 439 | Q | A | -0.2799 |
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