| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIIKDGKVVVPKVSGWQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGTVGHPLFNKLGDTENPTEVQHETADVREAFSFDPKQTQLFIVGCEPPTGEHWDLAEPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRAGPDGVPLPDAPPPSPLYVRPPPSSPYAVLPSYDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPENNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9486 | |
| 2 | L | A | 1.9726 | |
| 3 | P | A | 0.6560 | |
| 4 | P | A | 0.3512 | |
| 5 | T | A | 0.1099 | |
| 6 | T | A | 0.1315 | |
| 7 | P | A | 0.1704 | |
| 8 | V | A | 1.2174 | |
| 9 | A | A | 0.0298 | |
| 10 | K | A | -1.1481 | |
| 11 | V | A | -0.3979 | |
| 12 | Q | A | -1.5232 | |
| 13 | S | A | -1.6246 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4963 | |
| 16 | E | A | -2.4754 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4443 | |
| 20 | P | A | 0.0970 | |
| 21 | T | A | 0.1148 | |
| 22 | S | A | -0.1702 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0969 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2899 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8812 | |
| 31 | R | A | -2.6535 | |
| 32 | L | A | -0.7829 | |
| 33 | L | A | 1.2186 | |
| 34 | T | A | 1.6537 | |
| 35 | V | A | 2.0259 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.1446 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.5713 | |
| 40 | K | A | -1.4846 | |
| 41 | D | A | -0.6156 | |
| 42 | I | A | 1.0809 | |
| 43 | I | A | 1.1883 | |
| 44 | K | A | -1.2913 | |
| 45 | D | A | -2.3903 | |
| 46 | G | A | -1.4216 | |
| 47 | K | A | -1.0056 | |
| 48 | V | A | 1.5400 | |
| 49 | V | A | 2.0929 | |
| 50 | V | A | 1.4295 | |
| 51 | P | A | 0.6267 | |
| 52 | K | A | -0.5152 | |
| 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 | -2.1393 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4949 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2996 | |
| 70 | K | A | -1.8186 | |
| 71 | F | A | -0.6773 | |
| 72 | A | A | -0.5831 | |
| 73 | L | A | -0.9372 | |
| 74 | P | A | -1.2575 | |
| 75 | Q | A | -2.4670 | |
| 76 | K | A | -3.0850 | |
| 77 | D | A | -2.9784 | |
| 78 | F | A | -1.6336 | |
| 79 | Y | A | -1.9046 | |
| 80 | D | A | -2.7331 | |
| 81 | P | A | -2.3400 | |
| 82 | E | A | -3.0598 | |
| 83 | K | A | -3.4332 | |
| 84 | E | A | -2.4879 | |
| 85 | R | A | -1.2818 | |
| 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 | -0.6103 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9641 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3160 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6774 | |
| 99 | G | A | -0.5383 | |
| 100 | P | A | -0.4235 | |
| 101 | L | A | 0.0020 | |
| 102 | G | A | -0.2750 | |
| 103 | K | A | -0.7229 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -0.4583 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1380 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.2198 | |
| 110 | L | A | -0.4766 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.5126 | |
| 113 | K | A | -0.8802 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.3981 | |
| 117 | T | A | -1.1060 | |
| 118 | E | A | -1.9530 | |
| 119 | N | A | -2.2636 | |
| 120 | P | A | -1.8354 | |
| 121 | T | A | -1.5330 | |
| 122 | E | A | -2.0507 | |
| 123 | V | A | -0.7387 | |
| 124 | Q | A | -1.7329 | |
| 125 | H | A | -2.0110 | |
| 126 | E | A | -2.6797 | |
| 127 | T | A | -1.8525 | |
| 128 | A | A | -1.2900 | |
| 129 | D | A | -2.4089 | |
| 130 | V | A | -2.0467 | |
| 131 | R | A | -1.8829 | |
| 132 | E | A | -1.9478 | |
| 133 | A | A | -0.7153 | |
| 134 | F | A | -0.3999 | |
| 135 | S | A | -0.3336 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6888 | |
| 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 | -0.5604 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2642 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0833 | |
| 157 | D | A | 0.2377 | |
| 158 | L | A | 0.6124 | |
| 159 | A | A | 0.0249 | |
| 160 | E | A | -1.5275 | |
| 161 | P | A | -0.2940 | |
| 162 | C | A | 0.1717 | |
| 163 | P | A | -0.1752 | |
| 164 | G | A | -0.0724 | |
| 165 | L | A | 0.5970 | |
| 166 | P | A | -0.1060 | |
| 167 | P | A | -0.3390 | |
| 168 | G | A | -0.4233 | |
| 169 | A | A | 0.2994 | |
| 170 | C | A | 0.9971 | |
| 171 | P | A | 0.4644 | |
| 172 | P | A | 0.6603 | |
| 173 | I | A | 1.8032 | |
| 174 | Q | A | 0.7325 | |
| 175 | L | A | 1.4212 | |
| 176 | V | A | 0.7953 | |
| 177 | N | A | -0.3767 | |
| 178 | S | A | -0.0177 | |
| 179 | V | A | 0.3527 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3548 | |
| 182 | D | A | 0.0617 | |
| 183 | G | A | -0.1596 | |
| 184 | D | A | -0.5800 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.4815 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1142 | |
| 190 | F | A | 0.0217 | |
| 191 | G | A | -0.1559 | |
| 192 | N | A | -0.3347 | |
| 193 | M | A | -0.1753 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3066 | |
| 197 | E | A | -2.4656 | |
| 198 | L | A | -1.1932 | |
| 199 | Q | A | -2.4744 | |
| 200 | Q | A | -3.2485 | |
| 201 | D | A | -3.5106 | |
| 202 | R | A | -3.2946 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.1764 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3437 | |
| 211 | S | A | -1.8842 | |
| 212 | T | A | -1.4587 | |
| 213 | R | A | -2.1273 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.2174 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2743 | |
| 220 | L | A | 0.4402 | |
| 221 | K | A | -1.4321 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9269 | |
| 224 | N | A | -1.6996 | |
| 225 | E | A | -1.3532 | |
| 226 | A | A | -0.6776 | |
| 227 | Y | A | -0.4180 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7177 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0893 | |
| 234 | F | A | 0.2742 | |
| 235 | G | A | -0.7858 | |
| 236 | R | A | -2.5426 | |
| 237 | R | A | -2.7382 | |
| 238 | E | A | -2.0392 | |
| 239 | Q | A | -0.0685 | |
| 240 | V | A | 1.5812 | |
| 241 | Y | A | 1.2728 | |
| 242 | A | A | 0.1670 | |
| 243 | R | A | -1.2507 | |
| 244 | H | A | -1.0349 | |
| 245 | F | A | -0.0332 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | -0.0372 | |
| 248 | R | A | -0.4787 | |
| 249 | A | A | -1.2261 | |
| 250 | G | A | -1.0498 | |
| 251 | P | A | -0.6697 | |
| 252 | D | A | -0.2337 | |
| 253 | G | A | 0.1254 | |
| 254 | V | A | 1.4146 | |
| 255 | P | A | 0.3740 | |
| 256 | L | A | 0.5363 | |
| 257 | P | A | -0.4743 | |
| 258 | D | A | -2.0876 | |
| 259 | A | A | 0.0000 | |
| 260 | P | A | -1.0294 | |
| 261 | P | A | -0.7208 | |
| 262 | P | A | -0.1786 | |
| 263 | S | A | -0.0414 | |
| 264 | P | A | 0.6725 | |
| 265 | L | A | 1.7034 | |
| 266 | Y | A | 1.0992 | |
| 267 | V | A | 1.0535 | |
| 268 | R | A | -1.0006 | |
| 269 | P | A | -0.1144 | |
| 270 | P | A | -0.5614 | |
| 271 | P | A | -0.3684 | |
| 272 | S | A | -0.3169 | |
| 273 | S | A | 0.0504 | |
| 274 | P | A | 0.5655 | |
| 275 | Y | A | 1.5533 | |
| 276 | A | A | 1.0009 | |
| 277 | V | A | 2.2652 | |
| 278 | L | A | 1.4596 | |
| 279 | P | A | 0.3644 | |
| 280 | S | A | 0.0000 | |
| 281 | Y | A | 0.4735 | |
| 282 | D | A | -0.1217 | |
| 283 | Y | A | 1.0599 | |
| 284 | F | A | 0.7657 | |
| 285 | G | A | 0.1551 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9348 | |
| 291 | L | A | 1.6122 | |
| 292 | V | A | 0.6013 | |
| 293 | S | A | -0.1630 | |
| 294 | S | A | -0.9671 | |
| 295 | D | A | -1.8435 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.0867 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6189 | |
| 301 | R | A | -1.8542 | |
| 302 | P | A | -0.9501 | |
| 303 | F | A | -0.1486 | |
| 304 | W | A | -0.5030 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0752 | |
| 307 | R | A | -2.8345 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3709 | |
| 310 | G | A | -1.2253 | |
| 311 | N | A | -1.3242 | |
| 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 | -0.9836 | |
| 319 | N | A | -0.9092 | |
| 320 | E | A | -1.0599 | |
| 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 | -0.3687 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.1693 | |
| 333 | N | A | 0.4199 | |
| 334 | F | A | 1.4783 | |
| 335 | T | A | 0.7444 | |
| 336 | I | A | 0.3964 | |
| 337 | S | A | -0.9687 | |
| 338 | Q | A | -1.7227 | |
| 339 | Q | A | -1.2940 | |
| 340 | L | A | 0.6441 | |
| 341 | C | A | 0.2361 | |
| 342 | T | A | -0.3328 | |
| 343 | P | A | -0.9163 | |
| 344 | E | A | -2.2629 | |
| 345 | N | A | -2.0583 | |
| 346 | N | A | -1.4252 | |
| 347 | V | A | 0.6082 | |
| 348 | Y | A | 0.9558 | |
| 349 | D | A | -0.2448 | |
| 350 | P | A | -0.4441 | |
| 351 | S | A | -0.3551 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.8071 | |
| 354 | K | A | -1.8059 | |
| 355 | N | A | -1.7674 | |
| 356 | Y | A | -0.0994 | |
| 357 | L | A | 0.5760 | |
| 358 | R | A | 0.9262 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4729 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0165 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9507 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6682 | |
| 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 | -1.3262 | |
| 376 | L | A | -1.7610 | |
| 377 | D | A | -2.0638 | |
| 378 | P | A | -1.0789 | |
| 379 | G | A | -1.0274 | |
| 380 | V | A | -0.9357 | |
| 381 | L | A | -0.5458 | |
| 382 | A | A | -0.6598 | |
| 383 | H | A | -0.8440 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3955 | |
| 386 | T | A | -0.5688 | |
| 387 | M | A | -0.3273 | |
| 388 | N | A | -0.8658 | |
| 389 | P | A | -1.3004 | |
| 390 | T | A | -1.6526 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.6359 | |
| 393 | E | A | -2.8824 | |
| 394 | N | A | -2.9160 | |
| 395 | W | A | -1.6412 | |
| 396 | N | A | -1.2774 | |
| 397 | L | A | -0.3051 | |
| 398 | G | A | 0.4992 | |
| 399 | F | A | 2.4134 | |
| 400 | V | A | 1.8560 | |
| 401 | P | A | 0.0661 | |
| 402 | P | A | -1.9752 | |
| 403 | K | A | -3.5822 | |
| 404 | E | A | -4.1500 | |
| 405 | R | A | -4.5752 | |
| 406 | E | A | -4.1826 | |
| 407 | D | A | -3.0628 | |
| 408 | P | A | -1.8708 | |
| 409 | Y | A | -0.9949 | |
| 410 | K | A | -2.1080 | |
| 411 | G | A | -0.6402 | |
| 412 | L | A | 0.6527 | |
| 413 | I | A | 1.5689 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4052 | |
| 416 | E | A | -1.6837 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9418 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0742 | |
| 421 | E | A | -2.7994 | |
| 422 | R | A | -2.6041 | |
| 423 | F | A | -1.3082 | |
| 424 | S | A | -1.4663 | |
| 425 | Q | A | -1.7430 | |
| 426 | D | A | -2.8823 | |
| 427 | L | A | -1.9743 | |
| 428 | D | A | -2.7589 | |
| 429 | Q | A | -2.5975 | |
| 430 | F | A | -1.4135 | |
| 431 | A | A | -0.8776 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5237 | |
| 435 | K | A | -0.6951 | |
| 436 | F | A | 0.1874 | |
| 437 | L | A | 1.0570 | |
| 438 | Y | A | 0.8452 | |
| 439 | Q | A | -0.2547 |
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