| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFADIVKNGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTAPVHEGADVRVAFSFDPKQTQLFIVGCEPPTGEHWDIAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGVPLPAAPPPSPLYTPPPPGSPYAVLPPYDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPEENVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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. (00:00:05)
|
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 | 1.9503 | |
| 2 | L | A | 1.9750 | |
| 3 | P | A | 0.6563 | |
| 4 | P | A | 0.3494 | |
| 5 | T | A | 0.1060 | |
| 6 | T | A | 0.1271 | |
| 7 | P | A | 0.1667 | |
| 8 | V | A | 1.2216 | |
| 9 | A | A | 0.0383 | |
| 10 | K | A | -1.1417 | |
| 11 | V | A | -0.3784 | |
| 12 | Q | A | -1.5052 | |
| 13 | S | A | -1.5908 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4000 | |
| 16 | E | A | -2.4278 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4627 | |
| 20 | P | A | 0.1080 | |
| 21 | T | A | 0.1135 | |
| 22 | S | A | -0.1708 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0939 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2814 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8705 | |
| 31 | R | A | -2.6440 | |
| 32 | L | A | -0.7814 | |
| 33 | L | A | 1.2069 | |
| 34 | T | A | 1.4602 | |
| 35 | V | A | 2.0079 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.2931 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.2272 | |
| 40 | A | A | 0.1009 | |
| 41 | D | A | -0.0683 | |
| 42 | I | A | 1.5094 | |
| 43 | V | A | 1.3506 | |
| 44 | K | A | -1.1294 | |
| 45 | N | A | -1.9278 | |
| 46 | G | A | -1.2002 | |
| 47 | K | A | -0.9058 | |
| 48 | V | A | 1.7226 | |
| 49 | V | A | 2.1366 | |
| 50 | V | A | 1.6438 | |
| 51 | P | A | 0.8769 | |
| 52 | K | A | 0.0249 | |
| 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 | -2.1584 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.5055 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3107 | |
| 70 | K | A | -1.8288 | |
| 71 | F | A | -0.6905 | |
| 72 | A | A | -0.5903 | |
| 73 | L | A | -0.9399 | |
| 74 | P | A | -1.2610 | |
| 75 | Q | A | -2.4677 | |
| 76 | K | A | -3.0867 | |
| 77 | D | A | -2.9812 | |
| 78 | F | A | -1.6330 | |
| 79 | Y | A | -1.9029 | |
| 80 | D | A | -2.7415 | |
| 81 | P | A | -2.3424 | |
| 82 | E | A | -3.0594 | |
| 83 | K | A | -3.4383 | |
| 84 | E | A | -2.4966 | |
| 85 | R | A | -1.3025 | |
| 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 | -0.6145 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9626 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3143 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6790 | |
| 99 | G | A | -0.5490 | |
| 100 | P | A | -0.4402 | |
| 101 | L | A | -0.0250 | |
| 102 | G | A | -0.2577 | |
| 103 | K | A | -0.6888 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4481 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1359 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.3991 | |
| 110 | L | A | 0.3713 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.0067 | |
| 113 | K | A | -0.2270 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.5079 | |
| 117 | T | A | -1.3676 | |
| 118 | E | A | -2.7482 | |
| 119 | N | A | -2.4351 | |
| 120 | P | A | -1.5511 | |
| 121 | T | A | -0.7651 | |
| 122 | A | A | -0.2959 | |
| 123 | P | A | -0.1519 | |
| 124 | V | A | -0.3406 | |
| 125 | H | A | -1.4446 | |
| 126 | E | A | -2.6284 | |
| 127 | G | A | -1.9980 | |
| 128 | A | A | -1.4215 | |
| 129 | D | A | -2.1437 | |
| 130 | V | A | -1.3413 | |
| 131 | R | A | -0.7863 | |
| 132 | V | A | 0.3810 | |
| 133 | A | A | 0.4235 | |
| 134 | F | A | 0.2603 | |
| 135 | S | A | -0.0799 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.5435 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.0000 | |
| 140 | Q | A | -0.2392 | |
| 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 | -0.5481 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2670 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1192 | |
| 157 | D | A | 0.3822 | |
| 158 | I | A | 0.8704 | |
| 159 | A | A | 0.1235 | |
| 160 | E | A | -1.4732 | |
| 161 | P | A | -0.2353 | |
| 162 | C | A | 0.1862 | |
| 163 | P | A | -0.1561 | |
| 164 | G | A | -0.0505 | |
| 165 | L | A | 0.6404 | |
| 166 | P | A | -0.0846 | |
| 167 | P | A | -0.3268 | |
| 168 | G | A | -0.4113 | |
| 169 | A | A | 0.3112 | |
| 170 | C | A | 1.1070 | |
| 171 | P | A | 0.5675 | |
| 172 | P | A | 0.7916 | |
| 173 | I | A | 2.0392 | |
| 174 | Q | A | 0.8339 | |
| 175 | L | A | 1.4114 | |
| 176 | V | A | 0.7941 | |
| 177 | N | A | -0.3648 | |
| 178 | S | A | -0.0244 | |
| 179 | V | A | 0.3665 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3710 | |
| 182 | D | A | 0.0771 | |
| 183 | G | A | -0.1501 | |
| 184 | D | A | -0.5533 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1447 | |
| 190 | F | A | 0.0577 | |
| 191 | G | A | -0.1091 | |
| 192 | N | A | -0.2803 | |
| 193 | M | A | -0.1412 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3791 | |
| 197 | E | A | -2.5675 | |
| 198 | L | A | -1.1831 | |
| 199 | Q | A | -2.5309 | |
| 200 | Q | A | -3.3287 | |
| 201 | D | A | -3.5974 | |
| 202 | R | A | -3.3511 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.4556 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3751 | |
| 211 | S | A | -1.7101 | |
| 212 | T | A | -1.4521 | |
| 213 | R | A | -2.0963 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1734 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2761 | |
| 220 | L | A | 0.4730 | |
| 221 | K | A | -1.3653 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9883 | |
| 224 | N | A | -1.6064 | |
| 225 | E | A | -1.3608 | |
| 226 | A | A | -0.6887 | |
| 227 | Y | A | -0.4741 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7125 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1299 | |
| 234 | F | A | 0.0487 | |
| 235 | G | A | -0.9453 | |
| 236 | R | A | -2.7426 | |
| 237 | R | A | -3.1026 | |
| 238 | E | A | -2.2470 | |
| 239 | Q | A | -0.2230 | |
| 240 | V | A | 1.4927 | |
| 241 | Y | A | 1.2020 | |
| 242 | A | A | 0.1192 | |
| 243 | R | A | -1.4154 | |
| 244 | H | A | -1.2705 | |
| 245 | F | A | -0.3208 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | -0.4026 | |
| 248 | R | A | -0.7105 | |
| 249 | A | A | -1.2732 | |
| 250 | G | A | -1.1481 | |
| 251 | P | A | -0.8138 | |
| 252 | D | A | -0.4890 | |
| 253 | G | A | -0.0104 | |
| 254 | V | A | 1.4652 | |
| 255 | P | A | 0.6522 | |
| 256 | L | A | 1.0531 | |
| 257 | P | A | 0.4568 | |
| 258 | A | A | 0.1464 | |
| 259 | A | A | -0.0071 | |
| 260 | P | A | -0.4933 | |
| 261 | P | A | -0.4053 | |
| 262 | P | A | -0.3132 | |
| 263 | S | A | 0.1215 | |
| 264 | P | A | 0.4064 | |
| 265 | L | A | 1.5405 | |
| 266 | Y | A | 0.8831 | |
| 267 | T | A | 0.1093 | |
| 268 | P | A | 0.1255 | |
| 269 | P | A | 0.2751 | |
| 270 | P | A | -0.3927 | |
| 271 | P | A | -0.4877 | |
| 272 | G | A | -0.3283 | |
| 273 | S | A | 0.1878 | |
| 274 | P | A | 0.4878 | |
| 275 | Y | A | 1.7842 | |
| 276 | A | A | 1.3949 | |
| 277 | V | A | 2.3351 | |
| 278 | L | A | 1.9445 | |
| 279 | P | A | 0.3553 | |
| 280 | P | A | 0.0000 | |
| 281 | Y | A | 0.1210 | |
| 282 | D | A | -1.0661 | |
| 283 | Y | A | 0.6764 | |
| 284 | F | A | 0.5937 | |
| 285 | G | A | 0.0679 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9057 | |
| 291 | L | A | 1.6271 | |
| 292 | V | A | 0.6403 | |
| 293 | S | A | -0.1507 | |
| 294 | S | A | -0.9722 | |
| 295 | D | A | -1.8394 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1717 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6432 | |
| 301 | R | A | -1.8845 | |
| 302 | P | A | -0.9570 | |
| 303 | F | A | -0.1693 | |
| 304 | W | A | -0.5010 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0730 | |
| 307 | R | A | -2.9195 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6568 | |
| 310 | G | A | -1.4326 | |
| 311 | N | A | -1.3966 | |
| 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 | -0.9035 | |
| 319 | N | A | -1.0040 | |
| 320 | E | A | -1.0507 | |
| 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 | -0.3643 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1547 | |
| 333 | N | A | 0.4307 | |
| 334 | F | A | 1.4969 | |
| 335 | T | A | 0.7670 | |
| 336 | I | A | 0.4343 | |
| 337 | S | A | -0.9352 | |
| 338 | Q | A | -1.6769 | |
| 339 | Q | A | -1.1906 | |
| 340 | L | A | 0.7025 | |
| 341 | C | A | 0.2914 | |
| 342 | T | A | -0.4956 | |
| 343 | P | A | -1.0014 | |
| 344 | E | A | -2.3523 | |
| 345 | E | A | -2.6140 | |
| 346 | N | A | -1.5375 | |
| 347 | V | A | 0.4065 | |
| 348 | Y | A | 0.8680 | |
| 349 | D | A | -0.1302 | |
| 350 | P | A | -0.3619 | |
| 351 | S | A | -0.2968 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.7362 | |
| 354 | K | A | -1.7641 | |
| 355 | N | A | -1.7342 | |
| 356 | Y | A | -0.0834 | |
| 357 | L | A | 0.5762 | |
| 358 | R | A | 0.9158 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4614 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0178 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9196 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6616 | |
| 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 | -0.3119 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3284 | |
| 376 | L | A | -1.7618 | |
| 377 | D | A | -2.0652 | |
| 378 | P | A | -1.0782 | |
| 379 | G | A | -1.0265 | |
| 380 | V | A | -0.9325 | |
| 381 | L | A | -0.5433 | |
| 382 | A | A | -0.6597 | |
| 383 | H | A | -0.8405 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3859 | |
| 386 | T | A | -0.5652 | |
| 387 | M | A | -0.3243 | |
| 388 | N | A | -0.8606 | |
| 389 | P | A | -1.2773 | |
| 390 | T | A | -1.5155 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5223 | |
| 393 | E | A | -2.9043 | |
| 394 | N | A | -2.7104 | |
| 395 | W | A | -1.5025 | |
| 396 | N | A | -1.2784 | |
| 397 | L | A | -0.1702 | |
| 398 | G | A | 0.5713 | |
| 399 | F | A | 2.4373 | |
| 400 | V | A | 1.8595 | |
| 401 | P | A | 0.0700 | |
| 402 | P | A | -1.8620 | |
| 403 | K | A | -3.4574 | |
| 404 | E | A | -3.7609 | |
| 405 | R | A | -3.9537 | |
| 406 | E | A | -3.7656 | |
| 407 | D | A | -2.8566 | |
| 408 | P | A | -1.7507 | |
| 409 | Y | A | -0.9939 | |
| 410 | K | A | -2.0955 | |
| 411 | G | A | -0.6418 | |
| 412 | L | A | 0.6565 | |
| 413 | I | A | 1.5713 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4186 | |
| 416 | E | A | -1.7166 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9536 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0825 | |
| 421 | E | A | -2.7969 | |
| 422 | R | A | -2.5916 | |
| 423 | F | A | -1.3025 | |
| 424 | S | A | -1.4596 | |
| 425 | Q | A | -1.7287 | |
| 426 | D | A | -2.8677 | |
| 427 | L | A | -1.9487 | |
| 428 | D | A | -2.7191 | |
| 429 | Q | A | -2.5821 | |
| 430 | F | A | -1.3984 | |
| 431 | A | A | -0.8581 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.4780 | |
| 435 | K | A | -0.6571 | |
| 436 | F | A | 0.2056 | |
| 437 | L | A | 1.0717 | |
| 438 | Y | A | 0.8607 | |
| 439 | Q | A | -0.2455 |
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