| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGSVGHPLFNKLGDTENPTSPQHEGADDRVAFSFDPKQTQLFIVGCEPPTGEHWDLAPPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYRRSGPEGVPLPAAPPPSPLYVPPPPGSPLAVPPSTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQLCTPAPNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9506 | |
| 2 | L | A | 1.9759 | |
| 3 | P | A | 0.6595 | |
| 4 | P | A | 0.3385 | |
| 5 | T | A | 0.1070 | |
| 6 | T | A | 0.1290 | |
| 7 | P | A | 0.1568 | |
| 8 | V | A | 1.2130 | |
| 9 | A | A | 0.0297 | |
| 10 | K | A | -1.1514 | |
| 11 | V | A | -0.4047 | |
| 12 | Q | A | -1.5095 | |
| 13 | S | A | -1.5956 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4092 | |
| 16 | E | A | -2.4307 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4387 | |
| 20 | P | A | 0.0998 | |
| 21 | T | A | 0.1087 | |
| 22 | S | A | -0.1705 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1000 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2746 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8661 | |
| 31 | R | A | -2.6402 | |
| 32 | L | A | -0.7784 | |
| 33 | L | A | 1.2123 | |
| 34 | T | A | 1.4612 | |
| 35 | V | A | 2.0163 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.2212 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6379 | |
| 40 | K | A | -1.6406 | |
| 41 | D | A | -0.9751 | |
| 42 | I | A | 0.7120 | |
| 43 | V | A | 0.7872 | |
| 44 | K | A | -1.5227 | |
| 45 | D | A | -2.4836 | |
| 46 | G | A | -1.5321 | |
| 47 | K | A | -1.1879 | |
| 48 | V | A | 1.2659 | |
| 49 | V | A | 1.6982 | |
| 50 | V | A | 1.1841 | |
| 51 | P | A | 0.4273 | |
| 52 | K | A | -0.6430 | |
| 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 | -2.1671 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4678 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2711 | |
| 70 | K | A | -1.8182 | |
| 71 | F | A | -0.6779 | |
| 72 | A | A | -0.5759 | |
| 73 | L | A | -0.8547 | |
| 74 | P | A | -1.2595 | |
| 75 | Q | A | -2.4682 | |
| 76 | K | A | -3.0855 | |
| 77 | D | A | -2.9737 | |
| 78 | F | A | -1.6195 | |
| 79 | Y | A | -1.8812 | |
| 80 | D | A | -2.7119 | |
| 81 | P | A | -2.3321 | |
| 82 | E | A | -3.0521 | |
| 83 | K | A | -3.4241 | |
| 84 | E | A | -2.4777 | |
| 85 | R | A | -1.2726 | |
| 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 | -0.6196 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -1.0019 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3274 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6569 | |
| 99 | G | A | -0.5161 | |
| 100 | P | A | -0.3837 | |
| 101 | L | A | 0.0713 | |
| 102 | G | A | -0.2462 | |
| 103 | K | A | -0.7735 | |
| 104 | G | A | -0.6276 | |
| 105 | S | A | -0.6170 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1047 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.3974 | |
| 110 | L | A | 0.2738 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1084 | |
| 113 | K | A | -0.1973 | |
| 114 | L | A | -1.2896 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.2960 | |
| 117 | T | A | -1.1865 | |
| 118 | E | A | -2.6186 | |
| 119 | N | A | -2.3842 | |
| 120 | P | A | -1.7286 | |
| 121 | T | A | -1.0591 | |
| 122 | S | A | -0.9296 | |
| 123 | P | A | -1.0747 | |
| 124 | Q | A | -1.6488 | |
| 125 | H | A | -2.3137 | |
| 126 | E | A | -3.0655 | |
| 127 | G | A | -2.4172 | |
| 128 | A | A | -1.7224 | |
| 129 | D | A | -2.4674 | |
| 130 | D | A | -2.1149 | |
| 131 | R | A | -1.0934 | |
| 132 | V | A | 0.2394 | |
| 133 | A | A | 0.4249 | |
| 134 | F | A | 0.2676 | |
| 135 | S | A | -0.1127 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.6276 | |
| 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 | -0.5469 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2575 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1822 | |
| 157 | D | A | 0.5098 | |
| 158 | L | A | 1.1010 | |
| 159 | A | A | 0.9025 | |
| 160 | P | A | 0.0731 | |
| 161 | P | A | 0.4421 | |
| 162 | C | A | 0.5203 | |
| 163 | P | A | 0.0205 | |
| 164 | G | A | -0.0768 | |
| 165 | L | A | 0.5924 | |
| 166 | P | A | -0.1064 | |
| 167 | P | A | -0.3368 | |
| 168 | G | A | -0.4217 | |
| 169 | A | A | 0.2920 | |
| 170 | C | A | 0.9950 | |
| 171 | P | A | 0.7206 | |
| 172 | P | A | 1.0559 | |
| 173 | I | A | 2.1773 | |
| 174 | Q | A | 1.1787 | |
| 175 | L | A | 1.5434 | |
| 176 | V | A | 0.8581 | |
| 177 | N | A | -0.3657 | |
| 178 | S | A | -0.0308 | |
| 179 | V | A | 0.3390 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3688 | |
| 182 | D | A | 0.0746 | |
| 183 | G | A | -0.1460 | |
| 184 | D | A | -0.5457 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1633 | |
| 190 | F | A | 0.0568 | |
| 191 | G | A | -0.1076 | |
| 192 | N | A | -0.2618 | |
| 193 | M | A | -0.1159 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3875 | |
| 197 | E | A | -2.5743 | |
| 198 | L | A | -1.2334 | |
| 199 | Q | A | -2.5437 | |
| 200 | Q | A | -3.3444 | |
| 201 | D | A | -3.6064 | |
| 202 | R | A | -3.3584 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.1557 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3885 | |
| 211 | S | A | -1.9074 | |
| 212 | T | A | -1.4423 | |
| 213 | R | A | -2.0630 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1684 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2617 | |
| 220 | L | A | 0.4569 | |
| 221 | K | A | -1.3953 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9878 | |
| 224 | N | A | -1.7205 | |
| 225 | E | A | -1.3296 | |
| 226 | A | A | -0.8257 | |
| 227 | Y | A | -0.4495 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6991 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1396 | |
| 234 | F | A | 0.0369 | |
| 235 | G | A | -0.9411 | |
| 236 | R | A | -2.7342 | |
| 237 | R | A | -3.0756 | |
| 238 | E | A | -2.2494 | |
| 239 | Q | A | -0.1978 | |
| 240 | V | A | 1.5005 | |
| 241 | Y | A | 1.2497 | |
| 242 | A | A | 0.1731 | |
| 243 | R | A | -1.3141 | |
| 244 | H | A | -1.1274 | |
| 245 | F | A | -0.1228 | |
| 246 | Y | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | R | A | -0.5971 | |
| 249 | S | A | -1.4746 | |
| 250 | G | A | -1.2153 | |
| 251 | P | A | -0.7414 | |
| 252 | E | A | -0.3702 | |
| 253 | G | A | 0.0901 | |
| 254 | V | A | 1.3259 | |
| 255 | P | A | 0.5546 | |
| 256 | L | A | 1.0164 | |
| 257 | P | A | 0.4286 | |
| 258 | A | A | 0.1948 | |
| 259 | A | A | 0.2348 | |
| 260 | P | A | -0.2724 | |
| 261 | P | A | 0.0065 | |
| 262 | P | A | 0.0661 | |
| 263 | S | A | 0.5880 | |
| 264 | P | A | 0.7031 | |
| 265 | L | A | 1.8947 | |
| 266 | Y | A | 1.7859 | |
| 267 | V | A | 1.9617 | |
| 268 | P | A | 1.2271 | |
| 269 | P | A | 0.6924 | |
| 270 | P | A | -0.1428 | |
| 271 | P | A | -0.4700 | |
| 272 | G | A | -0.4803 | |
| 273 | S | A | 0.2679 | |
| 274 | P | A | 0.6200 | |
| 275 | L | A | 1.8585 | |
| 276 | A | A | 1.3225 | |
| 277 | V | A | 2.2475 | |
| 278 | P | A | 1.2799 | |
| 279 | P | A | -0.0133 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.0434 | |
| 282 | D | A | -0.5273 | |
| 283 | Y | A | 0.9084 | |
| 284 | F | A | 0.7298 | |
| 285 | G | A | 0.1497 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9150 | |
| 291 | L | A | 1.6055 | |
| 292 | V | A | 0.6021 | |
| 293 | S | A | -0.1682 | |
| 294 | S | A | -0.9881 | |
| 295 | D | A | -1.8797 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | -1.0789 | |
| 298 | L | A | -1.2363 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.7026 | |
| 301 | R | A | -2.0256 | |
| 302 | P | A | -1.0231 | |
| 303 | F | A | -0.2073 | |
| 304 | W | A | -0.5286 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0760 | |
| 307 | R | A | -2.9209 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.7857 | |
| 310 | G | A | -1.4243 | |
| 311 | N | A | -1.3864 | |
| 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 | -0.8941 | |
| 319 | N | A | -0.8851 | |
| 320 | E | A | -1.0485 | |
| 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 | -0.3420 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.2050 | |
| 333 | N | A | 0.3619 | |
| 334 | F | A | 1.4270 | |
| 335 | T | A | 0.7170 | |
| 336 | I | A | 0.3689 | |
| 337 | S | A | -0.8952 | |
| 338 | Q | A | -1.5263 | |
| 339 | Q | A | -0.9050 | |
| 340 | L | A | 0.7687 | |
| 341 | C | A | 0.4185 | |
| 342 | T | A | 0.1397 | |
| 343 | P | A | -0.2836 | |
| 344 | A | A | 0.1081 | |
| 345 | P | A | 0.1358 | |
| 346 | N | A | -0.2758 | |
| 347 | V | A | 1.5572 | |
| 348 | Y | A | 1.4778 | |
| 349 | D | A | 0.1192 | |
| 350 | P | A | -0.3109 | |
| 351 | S | A | -0.2589 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -0.5601 | |
| 354 | K | A | -1.7364 | |
| 355 | N | A | -1.7293 | |
| 356 | Y | A | -0.1221 | |
| 357 | L | A | 0.5589 | |
| 358 | R | A | 0.9026 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4636 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0066 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9135 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6579 | |
| 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 | -0.2815 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3260 | |
| 376 | L | A | -1.7551 | |
| 377 | D | A | -2.0549 | |
| 378 | P | A | -1.0763 | |
| 379 | G | A | -1.0249 | |
| 380 | V | A | -0.9334 | |
| 381 | L | A | -0.5454 | |
| 382 | A | A | -0.6595 | |
| 383 | H | A | -0.8423 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3743 | |
| 386 | T | A | -0.5650 | |
| 387 | M | A | -0.3241 | |
| 388 | N | A | -0.8549 | |
| 389 | P | A | -1.2584 | |
| 390 | T | A | -1.5191 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5444 | |
| 393 | E | A | -2.9180 | |
| 394 | N | A | -2.8202 | |
| 395 | W | A | -1.5200 | |
| 396 | N | A | -1.3910 | |
| 397 | L | A | -0.2613 | |
| 398 | G | A | 0.5266 | |
| 399 | F | A | 2.4147 | |
| 400 | V | A | 1.8483 | |
| 401 | P | A | 0.0556 | |
| 402 | P | A | -1.8531 | |
| 403 | K | A | -3.4936 | |
| 404 | E | A | -3.9245 | |
| 405 | R | A | -4.0601 | |
| 406 | E | A | -3.8264 | |
| 407 | D | A | -2.8926 | |
| 408 | P | A | -1.7724 | |
| 409 | Y | A | -1.0021 | |
| 410 | K | A | -2.1092 | |
| 411 | G | A | -0.6456 | |
| 412 | L | A | 0.6527 | |
| 413 | I | A | 1.5653 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4315 | |
| 416 | E | A | -1.7404 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9558 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0658 | |
| 421 | E | A | -2.7803 | |
| 422 | R | A | -2.5608 | |
| 423 | F | A | -1.2930 | |
| 424 | S | A | -1.4685 | |
| 425 | Q | A | -1.8054 | |
| 426 | D | A | -2.9074 | |
| 427 | L | A | -1.9915 | |
| 428 | D | A | -2.7774 | |
| 429 | Q | A | -2.6193 | |
| 430 | F | A | -1.4240 | |
| 431 | A | A | -0.8818 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5376 | |
| 435 | K | A | -0.6819 | |
| 436 | F | A | 0.1912 | |
| 437 | L | A | 1.0550 | |
| 438 | Y | A | 0.8463 | |
| 439 | Q | A | -0.2544 |
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