| 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. (00:00:04)
|
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 | 1.9505 | |
| 2 | L | A | 1.9791 | |
| 3 | P | A | 0.7151 | |
| 4 | P | A | 0.1264 | |
| 5 | T | A | 0.1945 | |
| 6 | T | A | 0.1517 | |
| 7 | P | A | 0.2525 | |
| 8 | V | A | 1.2501 | |
| 9 | A | A | 0.0421 | |
| 10 | K | A | -1.1449 | |
| 11 | V | A | -0.3753 | |
| 12 | Q | A | -1.4904 | |
| 13 | S | A | -1.6195 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.5326 | |
| 16 | E | A | -2.5166 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4510 | |
| 20 | P | A | 0.0920 | |
| 21 | T | A | 0.1220 | |
| 22 | S | A | -0.1795 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.1186 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2538 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.7487 | |
| 31 | R | A | -2.6857 | |
| 32 | L | A | -0.8296 | |
| 33 | L | A | 1.0810 | |
| 34 | T | A | 1.3322 | |
| 35 | V | A | 1.8255 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | 0.9585 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | 0.9918 | |
| 40 | F | A | 1.7990 | |
| 41 | S | A | 1.3955 | |
| 42 | V | A | 1.5114 | |
| 43 | I | A | 0.8959 | |
| 44 | D | A | -1.9786 | |
| 45 | N | A | -2.7936 | |
| 46 | D | A | -2.7656 | |
| 47 | K | A | -2.0705 | |
| 48 | V | A | 0.6252 | |
| 49 | T | A | 0.2138 | |
| 50 | V | A | 1.1312 | |
| 51 | P | A | 1.0404 | |
| 52 | K | A | 0.7210 | |
| 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 | -2.2967 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.6507 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.3590 | |
| 70 | K | A | -1.8843 | |
| 71 | F | A | -0.9355 | |
| 72 | A | A | -0.5840 | |
| 73 | L | A | -0.9052 | |
| 74 | P | A | -1.2322 | |
| 75 | Q | A | -2.4604 | |
| 76 | K | A | -3.0783 | |
| 77 | D | A | -2.9660 | |
| 78 | F | A | -1.6165 | |
| 79 | Y | A | -1.8916 | |
| 80 | D | A | -2.6838 | |
| 81 | P | A | -2.3527 | |
| 82 | E | A | -3.0204 | |
| 83 | K | A | -3.3704 | |
| 84 | E | A | -2.4356 | |
| 85 | R | A | -1.2702 | |
| 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 | -0.5328 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -0.7916 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.2851 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.7816 | |
| 99 | G | A | -0.5768 | |
| 100 | P | A | -0.2263 | |
| 101 | L | A | 0.3849 | |
| 102 | G | A | 0.7183 | |
| 103 | I | A | 1.3736 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.0836 | |
| 106 | T | A | 0.0000 | |
| 107 | G | A | -0.1580 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | -0.7038 | |
| 110 | L | A | -0.6838 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.7990 | |
| 113 | K | A | -1.2349 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -1.3928 | |
| 116 | D | A | -1.7250 | |
| 117 | T | A | -1.4011 | |
| 118 | E | A | -2.3686 | |
| 119 | N | A | -2.8092 | |
| 120 | P | A | -2.6253 | |
| 121 | N | A | -2.8657 | |
| 122 | K | A | -2.9844 | |
| 123 | Y | A | -1.8786 | |
| 124 | Q | A | -2.1103 | |
| 125 | Q | A | -1.8027 | |
| 126 | G | A | -2.0313 | |
| 127 | S | A | -2.3297 | |
| 128 | K | A | -3.0121 | |
| 129 | D | A | -3.2586 | |
| 130 | N | A | -2.4644 | |
| 131 | R | A | -2.3313 | |
| 132 | Q | A | -2.2442 | |
| 133 | N | A | -1.8586 | |
| 134 | T | A | -1.1054 | |
| 135 | S | A | -0.6494 | |
| 136 | M | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | K | A | 0.2138 | |
| 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 | -0.4900 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2397 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.0599 | |
| 157 | D | A | 0.2967 | |
| 158 | V | A | 0.8074 | |
| 159 | A | A | 0.1696 | |
| 160 | K | A | -1.3621 | |
| 161 | P | A | -0.2221 | |
| 162 | C | A | 0.1990 | |
| 163 | G | A | -0.3026 | |
| 164 | A | A | -0.1763 | |
| 165 | L | A | -0.6976 | |
| 166 | E | A | -2.7193 | |
| 167 | K | A | -2.9661 | |
| 168 | G | A | -2.3447 | |
| 169 | D | A | -2.6196 | |
| 170 | C | A | -0.5097 | |
| 171 | P | A | -0.1651 | |
| 172 | P | A | 0.6199 | |
| 173 | I | A | 1.8900 | |
| 174 | Q | A | 0.7552 | |
| 175 | L | A | 1.3064 | |
| 176 | V | A | 0.7689 | |
| 177 | N | A | -0.3388 | |
| 178 | S | A | -0.0288 | |
| 179 | V | A | 0.3273 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3415 | |
| 182 | D | A | 0.0477 | |
| 183 | G | A | -0.1810 | |
| 184 | D | A | -0.5382 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | -0.4457 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1027 | |
| 190 | F | A | 0.0308 | |
| 191 | G | A | -0.1201 | |
| 192 | N | A | -0.3260 | |
| 193 | M | A | -0.1890 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.4815 | |
| 197 | E | A | -2.7940 | |
| 198 | L | A | -1.2722 | |
| 199 | Q | A | -2.5579 | |
| 200 | Q | A | -3.3726 | |
| 201 | D | A | -3.6480 | |
| 202 | R | A | -3.3926 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.5349 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.4595 | |
| 211 | S | A | -1.5767 | |
| 212 | T | A | -1.4944 | |
| 213 | R | A | -2.0754 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.2170 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2961 | |
| 220 | L | A | 0.5597 | |
| 221 | K | A | -1.2043 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9057 | |
| 224 | N | A | -1.6235 | |
| 225 | E | A | -1.2149 | |
| 226 | A | A | -0.7696 | |
| 227 | Y | A | -0.3804 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.6065 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1175 | |
| 234 | F | A | 0.1644 | |
| 235 | G | A | -0.5993 | |
| 236 | R | A | -1.9456 | |
| 237 | R | A | -2.1490 | |
| 238 | E | A | -1.3857 | |
| 239 | Q | A | 0.1942 | |
| 240 | V | A | 1.4661 | |
| 241 | Y | A | 0.9609 | |
| 242 | A | A | 0.0892 | |
| 243 | R | A | -1.2407 | |
| 244 | H | A | -1.0328 | |
| 245 | F | A | 0.1254 | |
| 246 | F | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.0964 | |
| 249 | N | A | -1.2695 | |
| 250 | G | A | -1.3203 | |
| 251 | S | A | -0.6907 | |
| 252 | V | A | -0.2531 | |
| 253 | G | A | -1.3634 | |
| 254 | E | A | -1.8819 | |
| 255 | P | A | -0.8440 | |
| 256 | I | A | 0.2034 | |
| 257 | P | A | -0.1561 | |
| 258 | N | A | 0.0759 | |
| 259 | S | A | 0.0586 | |
| 260 | V | A | 1.1349 | |
| 261 | S | A | 0.2245 | |
| 262 | P | A | 0.1146 | |
| 263 | S | A | 0.3303 | |
| 264 | D | A | -0.4681 | |
| 265 | F | A | 1.5521 | |
| 266 | Y | A | 1.2668 | |
| 267 | Y | A | 1.1879 | |
| 268 | A | A | -0.0035 | |
| 269 | P | A | -1.6351 | |
| 270 | D | A | -3.0080 | |
| 271 | S | A | -2.5146 | |
| 272 | T | A | -2.1594 | |
| 273 | Q | A | -3.3638 | |
| 274 | D | A | -3.7288 | |
| 275 | Q | A | -2.9148 | |
| 276 | K | A | -3.2842 | |
| 277 | T | A | -1.5750 | |
| 278 | L | A | 0.0763 | |
| 279 | A | A | -0.2771 | |
| 280 | P | A | 0.4317 | |
| 281 | S | A | 0.9202 | |
| 282 | V | A | 1.4432 | |
| 283 | Y | A | 1.9780 | |
| 284 | F | A | 1.3017 | |
| 285 | G | A | 0.2558 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 1.1447 | |
| 291 | L | A | 1.9476 | |
| 292 | V | A | 0.9643 | |
| 293 | S | A | -0.2604 | |
| 294 | S | A | -1.0288 | |
| 295 | D | A | -1.9055 | |
| 296 | G | A | -1.0978 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -0.8489 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.4207 | |
| 301 | R | A | -1.1625 | |
| 302 | P | A | -0.6003 | |
| 303 | F | A | -0.0130 | |
| 304 | W | A | -0.2588 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.1764 | |
| 307 | R | A | -2.9058 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.8005 | |
| 310 | G | A | -1.3919 | |
| 311 | N | A | -1.3941 | |
| 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 | -0.6765 | |
| 319 | N | A | -0.7788 | |
| 320 | E | A | 0.0000 | |
| 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 | 0.0872 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | 0.5244 | |
| 333 | N | A | 0.7890 | |
| 334 | F | A | 1.5611 | |
| 335 | T | A | 0.8381 | |
| 336 | I | A | 0.3791 | |
| 337 | S | A | -1.3076 | |
| 338 | Q | A | -2.5419 | |
| 339 | Q | A | -2.7610 | |
| 340 | T | A | -1.9040 | |
| 341 | N | A | -1.9885 | |
| 342 | T | A | -1.2762 | |
| 343 | P | A | -1.5924 | |
| 344 | N | A | -2.0843 | |
| 345 | P | A | -1.6390 | |
| 346 | D | A | -2.1684 | |
| 347 | T | A | -1.0256 | |
| 348 | Y | A | 0.0757 | |
| 349 | D | A | -0.8430 | |
| 350 | S | A | -0.8746 | |
| 351 | T | A | -0.8972 | |
| 352 | N | A | -1.6375 | |
| 353 | F | A | -1.9961 | |
| 354 | K | A | -2.7015 | |
| 355 | N | A | -1.9271 | |
| 356 | Y | A | -0.0420 | |
| 357 | L | A | 0.8008 | |
| 358 | R | A | 0.9789 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.2090 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.2482 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -2.0362 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6845 | |
| 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 | -0.2987 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3235 | |
| 376 | L | A | -1.7099 | |
| 377 | D | A | -1.9948 | |
| 378 | P | A | -1.0710 | |
| 379 | G | A | -1.0789 | |
| 380 | V | A | 0.0000 | |
| 381 | L | A | -0.5928 | |
| 382 | A | A | -0.6957 | |
| 383 | H | A | -0.8915 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.4039 | |
| 386 | T | A | -0.5829 | |
| 387 | M | A | -0.3242 | |
| 388 | N | A | -0.8623 | |
| 389 | P | A | -1.2153 | |
| 390 | T | A | -1.4351 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.3924 | |
| 393 | E | A | -2.7571 | |
| 394 | N | A | -2.1792 | |
| 395 | W | A | -1.3937 | |
| 396 | N | A | -1.2208 | |
| 397 | L | A | -0.1673 | |
| 398 | G | A | 0.6082 | |
| 399 | F | A | 2.3742 | |
| 400 | V | A | 1.7603 | |
| 401 | P | A | 0.0433 | |
| 402 | P | A | -1.8572 | |
| 403 | K | A | -3.3307 | |
| 404 | E | A | -3.7556 | |
| 405 | R | A | -3.8686 | |
| 406 | E | A | -3.7330 | |
| 407 | D | A | -2.7907 | |
| 408 | P | A | -1.7188 | |
| 409 | Y | A | -0.9951 | |
| 410 | K | A | -2.0795 | |
| 411 | G | A | -0.6428 | |
| 412 | L | A | 0.6406 | |
| 413 | I | A | 1.5441 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4396 | |
| 416 | E | A | -1.8085 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9779 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.1264 | |
| 421 | E | A | -2.8214 | |
| 422 | R | A | -2.4309 | |
| 423 | F | A | -1.2823 | |
| 424 | S | A | -1.5178 | |
| 425 | Q | A | -1.8715 | |
| 426 | D | A | -3.0147 | |
| 427 | L | A | 0.0000 | |
| 428 | D | A | -2.8909 | |
| 429 | Q | A | -2.6603 | |
| 430 | F | A | -1.4390 | |
| 431 | A | A | -0.8833 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.6110 | |
| 435 | K | A | -0.7723 | |
| 436 | F | A | 0.1554 | |
| 437 | L | A | 0.9665 | |
| 438 | Y | A | 0.8253 | |
| 439 | Q | A | -0.2844 |
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