| Chain sequence(s) |
A: YLPPTTPVAKVQSTDEYVYPTSLFCHAHTDRLLTVGHPFKDIVKDGKVVVPKVSGYQWRVFRLKFPDPNKFALPQKDFYDPEKERLVWRLRGLEIGRGGPLGKGSVGHPLFNKLGDTENPTAPLHPTADDRVAFSFDPKQTQLFIVGCEPPTGEHWDLAAPCPGLPPGACPPIQLVNSVIEDGDMCDIGFGNMNFKELQQDRSGVPLDIVSTRCKWPDFLKMTNEAYGDKMFFFGRREQVYARHFYVRCGPQGHPLPADPPPSPLYVPPPPSSPHAVPPPTDYFGTPSGSLVSSDGQLFNRPFWLQRAQGNNNGVCWHNELFVTVVDNTRNTNFTISQQCCTPAPNVYDPSCFKNYLRHVEQFELSLIAQLCKVPLDPGVLAHINTMNPTILENWNLGFVPPKEREDPYKGLIFWEVDLTERFSQDLDQFALGRKFLYQ
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 | 1.9531 | |
| 2 | L | A | 1.9796 | |
| 3 | P | A | 0.8158 | |
| 4 | P | A | 0.3345 | |
| 5 | T | A | 0.0797 | |
| 6 | T | A | 0.0952 | |
| 7 | P | A | 0.1466 | |
| 8 | V | A | 1.1642 | |
| 9 | A | A | 0.0221 | |
| 10 | K | A | -1.1509 | |
| 11 | V | A | -0.4285 | |
| 12 | Q | A | -1.5666 | |
| 13 | S | A | -1.6315 | |
| 14 | T | A | 0.0000 | |
| 15 | D | A | -2.4557 | |
| 16 | E | A | -2.4588 | |
| 17 | Y | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | Y | A | 0.4485 | |
| 20 | P | A | 0.0999 | |
| 21 | T | A | 0.1140 | |
| 22 | S | A | -0.1702 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | -0.0999 | |
| 25 | C | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | H | A | -1.2918 | |
| 29 | T | A | 0.0000 | |
| 30 | D | A | -2.8842 | |
| 31 | R | A | -2.6471 | |
| 32 | L | A | -0.7682 | |
| 33 | L | A | 1.2243 | |
| 34 | T | A | 1.4703 | |
| 35 | V | A | 2.0090 | |
| 36 | G | A | 0.0000 | |
| 37 | H | A | -0.1936 | |
| 38 | P | A | 0.0000 | |
| 39 | F | A | -0.6243 | |
| 40 | K | A | -1.6384 | |
| 41 | D | A | -0.9302 | |
| 42 | I | A | 0.8133 | |
| 43 | V | A | 0.8916 | |
| 44 | K | A | -1.4334 | |
| 45 | D | A | -2.4394 | |
| 46 | G | A | -1.4799 | |
| 47 | K | A | -1.1008 | |
| 48 | V | A | 1.4161 | |
| 49 | V | A | 1.9855 | |
| 50 | V | A | 1.2892 | |
| 51 | P | A | 0.4855 | |
| 52 | K | A | -0.6248 | |
| 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 | -2.1381 | |
| 65 | F | A | 0.0000 | |
| 66 | P | A | 0.0000 | |
| 67 | D | A | -1.4504 | |
| 68 | P | A | 0.0000 | |
| 69 | N | A | -1.2650 | |
| 70 | K | A | -1.8107 | |
| 71 | F | A | -0.6668 | |
| 72 | A | A | -0.5820 | |
| 73 | L | A | -0.8745 | |
| 74 | P | A | -1.2737 | |
| 75 | Q | A | -2.4814 | |
| 76 | K | A | -3.1022 | |
| 77 | D | A | -2.9970 | |
| 78 | F | A | -1.6544 | |
| 79 | Y | A | -1.9255 | |
| 80 | D | A | -2.7697 | |
| 81 | P | A | -2.4245 | |
| 82 | E | A | -3.0842 | |
| 83 | K | A | -3.4450 | |
| 84 | E | A | -2.5064 | |
| 85 | R | A | -1.3194 | |
| 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 | -0.6438 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | E | A | -1.0174 | |
| 95 | I | A | 0.0000 | |
| 96 | G | A | -1.3495 | |
| 97 | R | A | 0.0000 | |
| 98 | G | A | -0.6751 | |
| 99 | G | A | -0.5318 | |
| 100 | P | A | -0.4247 | |
| 101 | L | A | -0.0004 | |
| 102 | G | A | -0.3064 | |
| 103 | K | A | -0.8352 | |
| 104 | G | A | -0.6453 | |
| 105 | S | A | -0.6256 | |
| 106 | V | A | 0.0000 | |
| 107 | G | A | 0.1175 | |
| 108 | H | A | 0.0000 | |
| 109 | P | A | 0.4261 | |
| 110 | L | A | 0.3095 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.0611 | |
| 113 | K | A | -0.3773 | |
| 114 | L | A | -0.8014 | |
| 115 | G | A | -0.8748 | |
| 116 | D | A | -1.3293 | |
| 117 | T | A | -1.1967 | |
| 118 | E | A | -2.6263 | |
| 119 | N | A | -2.3623 | |
| 120 | P | A | -1.5546 | |
| 121 | T | A | -0.7945 | |
| 122 | A | A | -0.4401 | |
| 123 | P | A | -0.5766 | |
| 124 | L | A | -0.4126 | |
| 125 | H | A | -0.9464 | |
| 126 | P | A | -1.1126 | |
| 127 | T | A | -1.1071 | |
| 128 | A | A | -1.0764 | |
| 129 | D | A | -2.0822 | |
| 130 | D | A | -1.5881 | |
| 131 | R | A | -1.0391 | |
| 132 | V | A | 0.2585 | |
| 133 | A | A | 0.4476 | |
| 134 | F | A | 0.2816 | |
| 135 | S | A | -0.1066 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -0.8002 | |
| 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 | -0.5692 | |
| 150 | P | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | E | A | -0.2459 | |
| 155 | H | A | 0.0000 | |
| 156 | W | A | 1.1091 | |
| 157 | D | A | 0.4657 | |
| 158 | L | A | 1.0700 | |
| 159 | A | A | 0.9764 | |
| 160 | A | A | 0.3409 | |
| 161 | P | A | 0.5682 | |
| 162 | C | A | 0.5757 | |
| 163 | P | A | 0.0482 | |
| 164 | G | A | -0.0838 | |
| 165 | L | A | 0.5773 | |
| 166 | P | A | -0.1105 | |
| 167 | P | A | -0.3401 | |
| 168 | G | A | -0.4214 | |
| 169 | A | A | -0.0244 | |
| 170 | C | A | 0.6650 | |
| 171 | P | A | 0.7653 | |
| 172 | P | A | 1.1333 | |
| 173 | I | A | 2.2591 | |
| 174 | Q | A | 1.0716 | |
| 175 | L | A | 1.4419 | |
| 176 | V | A | 0.8081 | |
| 177 | N | A | -0.3501 | |
| 178 | S | A | 0.0032 | |
| 179 | V | A | 0.3806 | |
| 180 | I | A | 0.0000 | |
| 181 | E | A | 0.3616 | |
| 182 | D | A | 0.0708 | |
| 183 | G | A | -0.1630 | |
| 184 | D | A | -0.5600 | |
| 185 | M | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.1434 | |
| 190 | F | A | 0.0559 | |
| 191 | G | A | -0.1084 | |
| 192 | N | A | -0.2720 | |
| 193 | M | A | -0.1364 | |
| 194 | N | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -3.3312 | |
| 197 | E | A | -2.4992 | |
| 198 | L | A | -1.1800 | |
| 199 | Q | A | -2.4967 | |
| 200 | Q | A | -3.3048 | |
| 201 | D | A | -3.5824 | |
| 202 | R | A | -3.3209 | |
| 203 | S | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | P | A | 0.0000 | |
| 207 | L | A | 0.2016 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | -1.3564 | |
| 211 | S | A | -1.8718 | |
| 212 | T | A | -1.4299 | |
| 213 | R | A | -2.0876 | |
| 214 | C | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | W | A | -0.1614 | |
| 217 | P | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.2618 | |
| 220 | L | A | 0.4476 | |
| 221 | K | A | -1.4147 | |
| 222 | M | A | 0.0000 | |
| 223 | T | A | -0.9940 | |
| 224 | N | A | -1.6085 | |
| 225 | E | A | -1.3433 | |
| 226 | A | A | -0.6734 | |
| 227 | Y | A | -0.4435 | |
| 228 | G | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | K | A | -0.7238 | |
| 231 | M | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | -0.1410 | |
| 234 | F | A | 0.0274 | |
| 235 | G | A | -0.9545 | |
| 236 | R | A | -2.7465 | |
| 237 | R | A | -3.0799 | |
| 238 | E | A | -2.2068 | |
| 239 | Q | A | -0.1961 | |
| 240 | V | A | 1.5269 | |
| 241 | Y | A | 1.2336 | |
| 242 | A | A | 0.1625 | |
| 243 | R | A | -1.3420 | |
| 244 | H | A | -1.1746 | |
| 245 | F | A | -0.1904 | |
| 246 | Y | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -0.6416 | |
| 249 | C | A | -0.8916 | |
| 250 | G | A | -0.8525 | |
| 251 | P | A | -0.9116 | |
| 252 | Q | A | -1.2318 | |
| 253 | G | A | -1.2220 | |
| 254 | H | A | -1.3932 | |
| 255 | P | A | -0.8791 | |
| 256 | L | A | 0.2308 | |
| 257 | P | A | -0.1029 | |
| 258 | A | A | -0.2871 | |
| 259 | D | A | -0.7950 | |
| 260 | P | A | -0.7631 | |
| 261 | P | A | -0.2208 | |
| 262 | P | A | -0.1018 | |
| 263 | S | A | 0.2550 | |
| 264 | P | A | 0.5542 | |
| 265 | L | A | 1.8132 | |
| 266 | Y | A | 1.7196 | |
| 267 | V | A | 1.8298 | |
| 268 | P | A | 0.7522 | |
| 269 | P | A | 0.1554 | |
| 270 | P | A | -0.4606 | |
| 271 | P | A | -0.4371 | |
| 272 | S | A | -0.6257 | |
| 273 | S | A | -0.4693 | |
| 274 | P | A | -0.5645 | |
| 275 | H | A | -0.5764 | |
| 276 | A | A | 0.1502 | |
| 277 | V | A | 1.2292 | |
| 278 | P | A | 0.4014 | |
| 279 | P | A | -0.1856 | |
| 280 | P | A | -0.3221 | |
| 281 | T | A | -0.3721 | |
| 282 | D | A | -0.9085 | |
| 283 | Y | A | 0.8564 | |
| 284 | F | A | 0.7134 | |
| 285 | G | A | 0.1443 | |
| 286 | T | A | 0.0000 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | S | A | 0.9047 | |
| 291 | L | A | 1.6006 | |
| 292 | V | A | 0.5961 | |
| 293 | S | A | -0.1642 | |
| 294 | S | A | -0.9719 | |
| 295 | D | A | -1.8457 | |
| 296 | G | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | L | A | -1.1999 | |
| 299 | F | A | 0.0000 | |
| 300 | N | A | -1.7125 | |
| 301 | R | A | -2.0567 | |
| 302 | P | A | -1.0545 | |
| 303 | F | A | -0.2222 | |
| 304 | W | A | -0.5278 | |
| 305 | L | A | 0.0000 | |
| 306 | Q | A | -2.0800 | |
| 307 | R | A | -2.9276 | |
| 308 | A | A | 0.0000 | |
| 309 | Q | A | -1.6558 | |
| 310 | G | A | -1.4180 | |
| 311 | N | A | -1.4062 | |
| 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 | -0.8756 | |
| 319 | N | A | -0.8790 | |
| 320 | E | A | -1.0494 | |
| 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 | -0.3799 | |
| 331 | N | A | 0.0000 | |
| 332 | T | A | -0.2227 | |
| 333 | N | A | 0.3896 | |
| 334 | F | A | 1.4874 | |
| 335 | T | A | 0.6727 | |
| 336 | I | A | 0.3666 | |
| 337 | S | A | -1.0958 | |
| 338 | Q | A | -1.9192 | |
| 339 | Q | A | -1.5290 | |
| 340 | C | A | -0.3897 | |
| 341 | C | A | -0.1493 | |
| 342 | T | A | -0.0903 | |
| 343 | P | A | -0.4105 | |
| 344 | A | A | -0.0496 | |
| 345 | P | A | 0.0749 | |
| 346 | N | A | -0.2829 | |
| 347 | V | A | 1.5548 | |
| 348 | Y | A | 1.4668 | |
| 349 | D | A | 0.0803 | |
| 350 | P | A | -0.5699 | |
| 351 | S | A | -0.5473 | |
| 352 | C | A | 0.0000 | |
| 353 | F | A | -1.1433 | |
| 354 | K | A | -2.3658 | |
| 355 | N | A | -1.8385 | |
| 356 | Y | A | -0.0067 | |
| 357 | L | A | 0.6764 | |
| 358 | R | A | 0.9535 | |
| 359 | H | A | 0.0000 | |
| 360 | V | A | 1.4750 | |
| 361 | E | A | 0.0000 | |
| 362 | Q | A | -0.0011 | |
| 363 | F | A | 0.0000 | |
| 364 | E | A | -1.9408 | |
| 365 | L | A | 0.0000 | |
| 366 | S | A | -0.6665 | |
| 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 | -0.2823 | |
| 374 | V | A | 0.0000 | |
| 375 | P | A | -1.3245 | |
| 376 | L | A | -1.7527 | |
| 377 | D | A | -2.0212 | |
| 378 | P | A | -1.0576 | |
| 379 | G | A | -1.0187 | |
| 380 | V | A | -0.9285 | |
| 381 | L | A | -0.5370 | |
| 382 | A | A | -0.6558 | |
| 383 | H | A | -0.8464 | |
| 384 | I | A | 0.0000 | |
| 385 | N | A | -1.3930 | |
| 386 | T | A | -0.5677 | |
| 387 | M | A | -0.3290 | |
| 388 | N | A | -0.8626 | |
| 389 | P | A | -1.2564 | |
| 390 | T | A | -1.5011 | |
| 391 | I | A | 0.0000 | |
| 392 | L | A | -1.5220 | |
| 393 | E | A | -2.8968 | |
| 394 | N | A | -2.5799 | |
| 395 | W | A | -1.5207 | |
| 396 | N | A | -1.4388 | |
| 397 | L | A | -0.2313 | |
| 398 | G | A | 0.5000 | |
| 399 | F | A | 2.4030 | |
| 400 | V | A | 1.8256 | |
| 401 | P | A | 0.0458 | |
| 402 | P | A | -1.8900 | |
| 403 | K | A | -3.4752 | |
| 404 | E | A | -3.7914 | |
| 405 | R | A | -3.9912 | |
| 406 | E | A | -3.7799 | |
| 407 | D | A | -2.8297 | |
| 408 | P | A | -1.7409 | |
| 409 | Y | A | -0.9805 | |
| 410 | K | A | -2.0868 | |
| 411 | G | A | -0.6269 | |
| 412 | L | A | 0.6676 | |
| 413 | I | A | 1.5756 | |
| 414 | F | A | 0.0000 | |
| 415 | W | A | -0.4082 | |
| 416 | E | A | -1.6883 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -2.9536 | |
| 419 | L | A | 0.0000 | |
| 420 | T | A | -2.0861 | |
| 421 | E | A | -2.8244 | |
| 422 | R | A | -2.7176 | |
| 423 | F | A | -1.3345 | |
| 424 | S | A | -1.4759 | |
| 425 | Q | A | -1.9037 | |
| 426 | D | A | -2.8825 | |
| 427 | L | A | -1.9844 | |
| 428 | D | A | -2.7760 | |
| 429 | Q | A | -2.6019 | |
| 430 | F | A | -1.4221 | |
| 431 | A | A | -0.8620 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | R | A | -1.5440 | |
| 435 | K | A | -0.7160 | |
| 436 | F | A | 0.1596 | |
| 437 | L | A | 1.0403 | |
| 438 | Y | A | 0.8351 | |
| 439 | Q | A | -0.2624 |
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