| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFFSVIDNDKVTVPKVSGNQYRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGIGTTGHPLFNKLGDTENPNKYQQGSKDNRQNTSMDPKQTQLFIVGCEPPTGEHWDVAKPCGALEKGDCPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFFTRNGSVGEPIPNSVSPSDFYYAPDSTQDQKTLAPSVYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQTNTPNPDTYDSTNFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9445 | |
| 2 | L | A | 1.9632 | |
| 3 | P | A | 0.8269 | |
| 4 | P | A | 0.3831 | |
| 5 | T | A | 0.1314 | |
| 6 | T | A | 0.1356 | |
| 7 | P | A | 0.1820 | |
| 8 | V | A | 1.2088 | |
| 9 | A | A | 0.0795 | |
| 10 | K | A | -1.0338 | |
| 11 | V | A | -0.1842 | |
| 12 | Q | A | -1.4105 | |
| 13 | S | A | -1.5484 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.3839 | |
| 16 | E | A | -2.4236 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4627 | |
| 20 | P | A | 0.1342 | |
| 21 | T | A | 0.1604 | |
| 22 | S | A | -0.0977 | |
| 23 | L | A | 0.0930 | |
| 24 | F | A | -0.0267 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2874 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8867 | |
| 31 | R | A | -2.6626 | |
| 32 | L | A | -0.7784 | |
| 33 | L | A | 1.1655 | |
| 34 | T | A | 1.3589 | |
| 35 | V | A | 1.8118 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9736 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 1.0501 | |
| 40 | F | A | 1.8740 | |
| 41 | S | A | 1.4462 | |
| 42 | V | A | 1.5229 | |
| 43 | I | A | 0.9364 | |
| 44 | D | A | -1.9265 | |
| 45 | N | A | -2.7668 | |
| 46 | D | A | -2.7257 | |
| 47 | K | A | -1.9494 | |
| 48 | V | A | 0.7936 | |
| 49 | T | A | 0.2750 | |
| 50 | V | A | 1.1553 | |
| 51 | P | A | 1.2501 | |
| 52 | K | A | 0.7459 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | Q | A | 0.0000 | |
| 58 | Y | 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 | -2.2072 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4202 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2764 | |
| 70 | K | A | -1.7976 | |
| 71 | F | A | -0.6525 | |
| 72 | A | A | -0.5826 | |
| 73 | L | A | -0.8692 | |
| 74 | P | A | -1.2605 | |
| 75 | Q | A | -2.4904 | |
| 76 | K | A | -3.1015 | |
| 77 | D | A | -2.9848 | |
| 78 | F | A | -1.6578 | |
| 79 | Y | A | -1.8809 | |
| 80 | D | A | -2.6813 | |
| 81 | P | A | -2.3077 | |
| 82 | E | A | -3.0458 | |
| 83 | K | A | -3.3994 | |
| 84 | E | A | -2.4570 | |
| 85 | R | A | -1.2868 | |
| 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 | -0.6683 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.9600 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3407 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6765 | |
| 99 | G | A | -0.5260 | |
| 100 | P | A | -0.1220 | |
| 101 | L | A | 0.6195 | |
| 102 | G | A | 1.0994 | |
| 103 | I | A | 2.0291 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.2208 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.1818 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.6750 | |
| 110 | L | A | -0.7544 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7563 | |
| 113 | K | A | -1.2189 | |
| 114 | L | A | -1.4457 | |
| 115 | G | A | 0.0000 | |
| 116 | D | A | -1.3312 | |
| 117 | T | A | -1.2139 | |
| 118 | E | A | -1.7241 | |
| 119 | N | A | -2.3828 | |
| 120 | P | A | -2.4440 | |
| 121 | N | A | -2.6780 | |
| 122 | K | A | -2.8071 | |
| 123 | Y | A | -1.7145 | |
| 124 | Q | A | -1.9105 | |
| 125 | Q | A | -1.8261 | |
| 126 | G | A | -2.0769 | |
| 127 | S | A | -2.2854 | |
| 128 | K | A | -3.0018 | |
| 129 | D | A | -3.2489 | |
| 130 | N | A | -2.4734 | |
| 131 | R | A | -2.3467 | |
| 132 | Q | A | -2.1420 | |
| 133 | N | A | -1.8213 | |
| 134 | T | A | -1.0806 | |
| 135 | S | A | -0.6298 | |
| 136 | M | 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 | -0.5475 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2305 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0885 | |
| 157 | D | A | 0.2091 | |
| 158 | V | A | 0.8052 | |
| 159 | A | A | 0.1996 | |
| 160 | K | A | -1.3605 | |
| 161 | P | A | -0.2088 | |
| 162 | C | A | 0.1896 | |
| 163 | G | A | -0.2838 | |
| 164 | A | A | -0.2814 | |
| 165 | L | A | -0.6204 | |
| 166 | E | A | -2.6435 | |
| 167 | K | A | -2.9033 | |
| 168 | G | A | -2.3712 | |
| 169 | D | A | -2.4296 | |
| 170 | C | A | -0.4355 | |
| 171 | P | A | -0.2269 | |
| 172 | P | A | 0.7184 | |
| 173 | I | A | 1.9732 | |
| 174 | Q | A | 0.8083 | |
| 175 | L | A | 1.4313 | |
| 176 | V | A | 0.8114 | |
| 177 | N | A | -0.3230 | |
| 178 | S | A | 0.0112 | |
| 179 | V | A | 0.4269 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3741 | |
| 182 | D | A | 0.0560 | |
| 183 | G | A | -0.1700 | |
| 184 | D | A | -0.5616 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1406 | |
| 190 | F | A | 0.0433 | |
| 191 | G | A | -0.1189 | |
| 192 | N | A | -0.2973 | |
| 193 | M | A | -0.2253 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.5912 | |
| 197 | E | A | -2.9658 | |
| 198 | L | A | -1.4047 | |
| 199 | Q | A | -2.6443 | |
| 200 | Q | A | -3.4494 | |
| 201 | D | A | -3.6411 | |
| 202 | R | A | -3.4007 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5739 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4322 | |
| 211 | S | A | -1.6200 | |
| 212 | T | A | -1.5313 | |
| 213 | R | A | -2.2294 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1962 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | L | A | 0.5351 | |
| 221 | K | A | -1.1282 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.8500 | |
| 224 | N | A | -1.5825 | |
| 225 | E | A | -1.2228 | |
| 226 | A | A | -0.5919 | |
| 227 | Y | A | -0.3427 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6674 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0816 | |
| 234 | F | A | 0.2552 | |
| 235 | G | A | -0.8313 | |
| 236 | R | A | -2.6523 | |
| 237 | R | A | -2.9709 | |
| 238 | E | A | -2.1730 | |
| 239 | Q | A | -0.2048 | |
| 240 | V | A | 1.4807 | |
| 241 | Y | A | 1.2339 | |
| 242 | A | A | 0.3311 | |
| 243 | R | A | -0.7045 | |
| 244 | H | A | -0.7983 | |
| 245 | F | A | 0.0237 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.0099 | |
| 249 | N | A | -1.1993 | |
| 250 | G | A | -1.3141 | |
| 251 | S | A | -0.5726 | |
| 252 | V | A | -0.1005 | |
| 253 | G | A | -1.2483 | |
| 254 | E | A | -1.8062 | |
| 255 | P | A | -0.8935 | |
| 256 | I | A | 0.1021 | |
| 257 | P | A | -0.5465 | |
| 258 | N | A | -0.8130 | |
| 259 | S | A | 0.3997 | |
| 260 | V | A | 1.0650 | |
| 261 | S | A | 0.4376 | |
| 262 | P | A | -0.0633 | |
| 263 | S | A | -0.0171 | |
| 264 | D | A | -0.7051 | |
| 265 | F | A | 1.2443 | |
| 266 | Y | A | 1.3593 | |
| 267 | Y | A | 1.4756 | |
| 268 | A | A | 0.2768 | |
| 269 | P | A | -1.6845 | |
| 270 | D | A | -3.0247 | |
| 271 | S | A | -2.5181 | |
| 272 | T | A | -2.1556 | |
| 273 | Q | A | -3.3124 | |
| 274 | D | A | -3.6441 | |
| 275 | Q | A | -2.8329 | |
| 276 | K | A | -3.2368 | |
| 277 | T | A | -1.6071 | |
| 278 | L | A | 0.0453 | |
| 279 | A | A | -0.2907 | |
| 280 | P | A | 0.4667 | |
| 281 | S | A | 0.9788 | |
| 282 | V | A | 1.5237 | |
| 283 | Y | A | 1.8450 | |
| 284 | F | A | 1.2024 | |
| 285 | G | A | 0.1701 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.2851 | |
| 291 | L | A | 2.0055 | |
| 292 | V | A | 1.1284 | |
| 293 | S | A | -0.1748 | |
| 294 | S | A | -0.9596 | |
| 295 | D | A | -1.8457 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1113 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.6400 | |
| 301 | R | A | -1.8274 | |
| 302 | P | A | -0.9629 | |
| 303 | F | A | -0.1831 | |
| 304 | W | A | -0.5649 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0920 | |
| 307 | R | A | -2.8272 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.3600 | |
| 310 | G | A | -1.2108 | |
| 311 | N | A | -1.2630 | |
| 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 | -0.8221 | |
| 319 | N | A | -0.8665 | |
| 320 | E | A | -1.0483 | |
| 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 | 0.3153 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.8106 | |
| 333 | N | A | 0.9791 | |
| 334 | F | A | 1.8171 | |
| 335 | T | A | 0.9397 | |
| 336 | I | A | 0.4062 | |
| 337 | S | A | -1.2585 | |
| 338 | Q | A | -2.4445 | |
| 339 | Q | A | -2.8026 | |
| 340 | T | A | -1.9028 | |
| 341 | N | A | -1.8970 | |
| 342 | T | A | -1.3295 | |
| 343 | P | A | -1.5581 | |
| 344 | N | A | -2.1939 | |
| 345 | P | A | -1.8684 | |
| 346 | D | A | -2.0389 | |
| 347 | T | A | -0.7779 | |
| 348 | Y | A | 0.1886 | |
| 349 | D | A | -0.6897 | |
| 350 | S | A | -0.8760 | |
| 351 | T | A | -0.8520 | |
| 352 | N | A | -1.5070 | |
| 353 | F | A | -1.8729 | |
| 354 | K | A | -2.6810 | |
| 355 | N | A | -1.9241 | |
| 356 | Y | A | 0.0051 | |
| 357 | L | A | 0.7696 | |
| 358 | R | A | 1.0516 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.3999 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0631 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0115 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6776 | |
| 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 | -0.2966 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3240 | |
| 376 | L | A | -1.7264 | |
| 377 | D | A | -2.0169 | |
| 378 | P | A | -1.0492 | |
| 379 | G | A | -1.0161 | |
| 380 | V | A | -0.9387 | |
| 381 | L | A | -0.5300 | |
| 382 | A | A | -0.6501 | |
| 383 | H | A | -0.8064 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3875 | |
| 386 | T | A | -0.5437 | |
| 387 | M | A | -0.2880 | |
| 388 | N | A | -0.8514 | |
| 389 | P | A | -1.2338 | |
| 390 | T | A | -1.4544 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.4761 | |
| 393 | E | A | -2.8355 | |
| 394 | N | A | -2.6225 | |
| 395 | W | A | -1.4661 | |
| 396 | N | A | -1.4713 | |
| 397 | L | A | -0.2913 | |
| 398 | G | A | 0.4824 | |
| 399 | F | A | 2.3821 | |
| 400 | V | A | 1.7844 | |
| 401 | P | A | 0.0294 | |
| 402 | P | A | -1.8469 | |
| 403 | K | A | -3.4346 | |
| 404 | E | A | -3.8392 | |
| 405 | R | A | -3.8710 | |
| 406 | E | A | -3.7699 | |
| 407 | D | A | -2.8858 | |
| 408 | P | A | -1.7683 | |
| 409 | Y | A | -0.9847 | |
| 410 | K | A | -2.1134 | |
| 411 | G | A | -0.6412 | |
| 412 | L | A | 0.6719 | |
| 413 | I | A | 1.5650 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4604 | |
| 416 | E | A | -1.8245 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9968 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0816 | |
| 421 | E | A | -2.8045 | |
| 422 | R | A | -2.6684 | |
| 423 | F | A | -1.3020 | |
| 424 | S | A | -1.4753 | |
| 425 | Q | A | -1.8910 | |
| 426 | D | A | -2.9007 | |
| 427 | L | A | -1.9869 | |
| 428 | D | A | -2.7961 | |
| 429 | Q | A | -2.6167 | |
| 430 | F | A | -1.3899 | |
| 431 | A | A | -0.8617 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5103 | |
| 435 | K | A | -0.6667 | |
| 436 | F | A | 0.1866 | |
| 437 | L | A | 1.0563 | |
| 438 | Y | A | 0.8524 | |
| 439 | Q | A | -0.2529 |
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