| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFADIVKNGKVVVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTAPVHETADVRVAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGHPLPAAPPPSPLYVPPPPWSPHWVPPSRDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQISTPANNVYDPSNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:04)
|
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 | 1.8834 | |
| 2 | L | A | 1.8195 | |
| 3 | P | A | 0.5225 | |
| 4 | P | A | 0.1745 | |
| 5 | T | A | -0.0429 | |
| 6 | T | A | -0.0647 | |
| 7 | P | A | 0.2683 | |
| 8 | V | A | 1.2431 | |
| 9 | A | A | 0.0535 | |
| 10 | K | A | -1.0005 | |
| 11 | V | A | -0.1353 | |
| 12 | Q | A | -1.3739 | |
| 13 | S | A | -1.5369 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4131 | |
| 16 | E | A | -2.4349 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4633 | |
| 20 | P | A | 0.1300 | |
| 21 | T | A | 0.1805 | |
| 22 | S | A | -0.0953 | |
| 23 | L | A | 0.1167 | |
| 24 | F | A | -0.0352 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2722 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8934 | |
| 31 | R | A | -2.6781 | |
| 32 | L | A | -0.7891 | |
| 33 | L | A | 1.1648 | |
| 34 | T | A | 1.3682 | |
| 35 | V | A | 1.8156 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.3093 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.2257 | |
| 40 | A | A | 0.1103 | |
| 41 | D | A | -0.0630 | |
| 42 | I | A | 1.5334 | |
| 43 | V | A | 1.3558 | |
| 44 | K | A | -1.1107 | |
| 45 | N | A | -1.9255 | |
| 46 | G | A | -1.1887 | |
| 47 | K | A | -0.9396 | |
| 48 | V | A | 1.6685 | |
| 49 | V | A | 2.0832 | |
| 50 | V | A | 1.5446 | |
| 51 | P | A | 0.7986 | |
| 52 | K | A | -0.0128 | |
| 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 | -2.1345 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.3896 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2622 | |
| 70 | K | A | -1.7830 | |
| 71 | F | A | -0.6347 | |
| 72 | A | A | -0.5801 | |
| 73 | L | A | -0.8740 | |
| 74 | P | A | -1.2164 | |
| 75 | Q | A | -2.5091 | |
| 76 | K | A | -3.1111 | |
| 77 | D | A | -2.9935 | |
| 78 | F | A | -1.6616 | |
| 79 | Y | A | -1.8996 | |
| 80 | D | A | -2.7040 | |
| 81 | P | A | -2.3748 | |
| 82 | E | A | -3.0643 | |
| 83 | K | A | -3.4073 | |
| 84 | E | A | -2.4770 | |
| 85 | R | A | -1.3078 | |
| 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 | -0.6749 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9656 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3549 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6853 | |
| 99 | G | A | -0.5208 | |
| 100 | P | A | -0.3681 | |
| 101 | L | A | 0.1173 | |
| 102 | G | A | -0.1579 | |
| 103 | K | A | -0.5246 | |
| 104 | G | A | -0.3736 | |
| 105 | T | A | -0.3621 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1629 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4115 | |
| 110 | L | A | 0.3819 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -0.9952 | |
| 113 | K | A | -0.3846 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.2246 | |
| 117 | T | A | -0.8793 | |
| 118 | E | A | -1.7547 | |
| 119 | N | A | -1.9778 | |
| 120 | P | A | -1.3299 | |
| 121 | T | A | -0.6885 | |
| 122 | A | A | -0.3568 | |
| 123 | P | A | -0.5485 | |
| 124 | V | A | -0.4665 | |
| 125 | H | A | -1.5106 | |
| 126 | E | A | -2.1502 | |
| 127 | T | A | -1.5224 | |
| 128 | A | A | -1.2032 | |
| 129 | D | A | -2.0274 | |
| 130 | V | A | -1.3421 | |
| 131 | R | A | -0.7301 | |
| 132 | V | A | 0.4018 | |
| 133 | A | A | 0.4451 | |
| 134 | F | A | 0.2761 | |
| 135 | S | A | -0.0322 | |
| 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 | -0.5602 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.1971 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1690 | |
| 157 | D | A | 0.3282 | |
| 158 | L | A | 0.7989 | |
| 159 | A | A | 0.1996 | |
| 160 | E | A | -1.4447 | |
| 161 | P | A | -0.2016 | |
| 162 | C | A | 0.1889 | |
| 163 | P | A | -0.1743 | |
| 164 | G | A | -0.0842 | |
| 165 | L | A | 0.5818 | |
| 166 | P | A | -0.1266 | |
| 167 | P | A | -0.3458 | |
| 168 | G | A | -0.4539 | |
| 169 | A | A | -0.0381 | |
| 170 | C | A | 0.6539 | |
| 171 | P | A | 0.5369 | |
| 172 | P | A | 0.7941 | |
| 173 | I | A | 2.0810 | |
| 174 | Q | A | 0.8958 | |
| 175 | L | A | 1.5171 | |
| 176 | V | A | 0.8697 | |
| 177 | N | A | -0.2935 | |
| 178 | S | A | 0.0332 | |
| 179 | V | A | 0.4387 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3884 | |
| 182 | D | A | 0.0859 | |
| 183 | G | A | -0.1571 | |
| 184 | D | A | -0.5396 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1292 | |
| 190 | F | A | 0.0625 | |
| 191 | G | A | -0.1039 | |
| 192 | N | A | -0.2642 | |
| 193 | M | A | -0.1211 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4338 | |
| 197 | E | A | -2.6650 | |
| 198 | L | A | -1.2478 | |
| 199 | Q | A | -2.5814 | |
| 200 | Q | A | -3.3232 | |
| 201 | D | A | -3.5741 | |
| 202 | R | A | -3.3428 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4736 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3654 | |
| 211 | S | A | -1.7038 | |
| 212 | T | A | -1.4462 | |
| 213 | R | A | -2.1163 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1622 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.3764 | |
| 220 | L | A | 0.6103 | |
| 221 | K | A | -1.1044 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8170 | |
| 224 | N | A | -1.4949 | |
| 225 | E | A | -1.2399 | |
| 226 | A | A | -0.5952 | |
| 227 | Y | A | -0.3647 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6754 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0745 | |
| 234 | F | A | 0.2591 | |
| 235 | G | A | -0.8145 | |
| 236 | R | A | -2.5770 | |
| 237 | R | A | -2.8102 | |
| 238 | E | A | -2.0498 | |
| 239 | Q | A | -0.1509 | |
| 240 | V | A | 1.4796 | |
| 241 | Y | A | 1.2005 | |
| 242 | A | A | 0.3464 | |
| 243 | R | A | -0.6563 | |
| 244 | H | A | -0.8275 | |
| 245 | F | A | 0.1036 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.7545 | |
| 249 | A | A | -1.4260 | |
| 250 | G | A | -1.1376 | |
| 251 | P | A | -1.1404 | |
| 252 | D | A | -1.5946 | |
| 253 | G | A | -1.3465 | |
| 254 | H | A | -1.5300 | |
| 255 | P | A | -0.9625 | |
| 256 | L | A | 0.1238 | |
| 257 | P | A | -0.0400 | |
| 258 | A | A | 0.1315 | |
| 259 | A | A | 0.2818 | |
| 260 | P | A | -0.2867 | |
| 261 | P | A | 0.0300 | |
| 262 | P | A | 0.1129 | |
| 263 | S | A | 0.6763 | |
| 264 | P | A | 0.7201 | |
| 265 | L | A | 1.9420 | |
| 266 | Y | A | 1.8956 | |
| 267 | V | A | 2.0094 | |
| 268 | P | A | 1.0355 | |
| 269 | P | A | 0.8119 | |
| 270 | P | A | 0.3913 | |
| 271 | P | A | 0.3598 | |
| 272 | W | A | 1.0463 | |
| 273 | S | A | 0.6499 | |
| 274 | P | A | 0.2982 | |
| 275 | H | A | 0.3019 | |
| 276 | W | A | 1.6648 | |
| 277 | V | A | 1.9532 | |
| 278 | P | A | 0.7027 | |
| 279 | P | A | -0.4010 | |
| 280 | S | A | 0.0000 | |
| 281 | R | A | -0.8799 | |
| 282 | D | A | -1.0106 | |
| 283 | Y | A | 0.7598 | |
| 284 | F | A | 0.6610 | |
| 285 | G | A | 0.3041 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9954 | |
| 291 | L | A | 1.6300 | |
| 292 | V | A | 0.6624 | |
| 293 | S | A | -0.1486 | |
| 294 | S | A | -0.9482 | |
| 295 | D | A | -1.8420 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1025 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6479 | |
| 301 | R | A | -1.8658 | |
| 302 | P | A | -0.9842 | |
| 303 | F | A | -0.2020 | |
| 304 | W | A | -0.5749 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0892 | |
| 307 | R | A | -2.8376 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.2667 | |
| 310 | G | A | -1.2335 | |
| 311 | N | A | -1.2753 | |
| 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 | -0.8284 | |
| 319 | N | A | -0.9356 | |
| 320 | E | A | -1.0365 | |
| 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 | -0.3058 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.0508 | |
| 333 | N | A | 0.5873 | |
| 334 | F | A | 1.7761 | |
| 335 | T | A | 0.8196 | |
| 336 | I | A | 0.4618 | |
| 337 | S | A | -1.0220 | |
| 338 | Q | A | -1.8358 | |
| 339 | Q | A | -1.7000 | |
| 340 | I | A | 0.3942 | |
| 341 | S | A | -0.0274 | |
| 342 | T | A | -0.3042 | |
| 343 | P | A | -0.7446 | |
| 344 | A | A | -0.6978 | |
| 345 | N | A | -1.2182 | |
| 346 | N | A | -0.8586 | |
| 347 | V | A | 1.1209 | |
| 348 | Y | A | 1.1339 | |
| 349 | D | A | -0.3629 | |
| 350 | P | A | -0.7382 | |
| 351 | S | A | -0.5379 | |
| 352 | N | A | -0.5203 | |
| 353 | F | A | -1.0674 | |
| 354 | K | A | -2.1073 | |
| 355 | N | A | -1.8275 | |
| 356 | Y | A | 0.0484 | |
| 357 | L | A | 0.7526 | |
| 358 | R | A | 1.0053 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3745 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0656 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0293 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6829 | |
| 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 | -0.3049 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3357 | |
| 376 | L | A | -1.7506 | |
| 377 | D | A | -2.0304 | |
| 378 | P | A | -0.8985 | |
| 379 | G | A | -0.9159 | |
| 380 | V | A | -0.9450 | |
| 381 | L | A | -0.3011 | |
| 382 | A | A | -0.0716 | |
| 383 | H | A | -0.5867 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -0.5377 | |
| 386 | T | A | -0.0613 | |
| 387 | M | A | -0.1373 | |
| 388 | N | A | -0.6913 | |
| 389 | P | A | -1.0330 | |
| 390 | T | A | -1.3660 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.3788 | |
| 393 | E | A | -2.7573 | |
| 394 | N | A | -2.2761 | |
| 395 | W | A | -1.4451 | |
| 396 | N | A | -1.2468 | |
| 397 | L | A | -0.2662 | |
| 398 | G | A | 0.4529 | |
| 399 | F | A | 2.3971 | |
| 400 | V | A | 1.8034 | |
| 401 | P | A | 0.0229 | |
| 402 | P | A | -1.8401 | |
| 403 | K | A | -3.2451 | |
| 404 | E | A | -3.7973 | |
| 405 | R | A | -3.9637 | |
| 406 | E | A | -3.8108 | |
| 407 | D | A | -2.8652 | |
| 408 | P | A | -1.7623 | |
| 409 | Y | A | -0.9772 | |
| 410 | K | A | -2.1173 | |
| 411 | G | A | -0.6274 | |
| 412 | L | A | 0.6858 | |
| 413 | I | A | 1.5930 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.3886 | |
| 416 | E | A | -1.6773 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9387 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0397 | |
| 421 | E | A | -2.7661 | |
| 422 | R | A | -2.6042 | |
| 423 | F | A | -1.2669 | |
| 424 | S | A | -1.4594 | |
| 425 | Q | A | -1.8474 | |
| 426 | D | A | -2.8916 | |
| 427 | L | A | -1.9811 | |
| 428 | D | A | -2.7530 | |
| 429 | Q | A | -2.6037 | |
| 430 | F | A | -1.4143 | |
| 431 | A | A | -0.8988 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6069 | |
| 435 | K | A | -0.7317 | |
| 436 | F | A | 0.1279 | |
| 437 | L | A | 1.0181 | |
| 438 | Y | A | 0.8146 | |
| 439 | Q | A | -0.2830 |
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