| Chain sequence(s) |
A: RSFRGPLLPNRPFTTVWNANTQWCLERHGVDVDVSVFDVVANPGQTFRGPDMTIFYSSQLGTYPYYTPTGEPVFGGLPQNASLIAHLARTFQDILAAIPAPDFSGLAVIDWEAWRPRWAFNWDTKDIYRQRSRALVQAQHPDWPAPQVEAVAQDQFQGAARAWMAGTLQLGRALRPRGLWGFYGFPDCYNYDFLSPNYTGQCPSGIRAQNDQLGWLWGQSRALYPSIYMPAVLEGTGKSQMYVQHRVAEAFRVAVAAGDPNLPVLPYVQIFYDTTNHFLPLDELEHSLGESAAQGAAGVVLWVSWENTRTKESCQAIKEYMDTTLGPFILNVTSGALLCSQALCSGHGRCVRRTSHPKALLLLNPASFSIQLTPGGGPLSLRGALSLEDQAQMAVEFKCRCYPGWQAPWCERKSMWT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:45)
[INFO] Main: Simulation completed successfully. (00:01:47)
|
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 | |
| 20 | R | A | -1.7048 | |
| 21 | S | A | 0.0000 | |
| 22 | F | A | 1.0897 | |
| 23 | R | A | -0.1139 | |
| 24 | G | A | -0.2003 | |
| 25 | P | A | -0.5246 | |
| 26 | L | A | 0.0000 | |
| 27 | L | A | -0.5649 | |
| 28 | P | A | -0.9200 | |
| 29 | N | A | -1.7175 | |
| 30 | R | A | -1.1665 | |
| 31 | P | A | 0.0000 | |
| 32 | F | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | T | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | N | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | N | A | -0.2190 | |
| 40 | T | A | 0.0000 | |
| 41 | Q | A | -1.2232 | |
| 42 | W | A | -1.5249 | |
| 43 | C | A | 0.0000 | |
| 44 | L | A | -1.6535 | |
| 45 | E | A | -2.7084 | |
| 46 | R | A | -3.0396 | |
| 47 | H | A | -2.6824 | |
| 48 | G | A | -1.9255 | |
| 49 | V | A | 0.0000 | |
| 50 | D | A | -2.2433 | |
| 51 | V | A | 0.0000 | |
| 52 | D | A | -1.5061 | |
| 53 | V | A | -0.0072 | |
| 54 | S | A | -0.0007 | |
| 55 | V | A | 0.2663 | |
| 56 | F | A | 0.0000 | |
| 57 | D | A | -0.1907 | |
| 58 | V | A | 0.0000 | |
| 59 | V | A | 1.1679 | |
| 60 | A | A | 0.2720 | |
| 61 | N | A | -0.0820 | |
| 62 | P | A | 0.0000 | |
| 63 | G | A | -0.3833 | |
| 64 | Q | A | -0.6810 | |
| 65 | T | A | -0.0657 | |
| 66 | F | A | 0.7022 | |
| 67 | R | A | -1.2980 | |
| 68 | G | A | -0.7964 | |
| 69 | P | A | -1.1264 | |
| 70 | D | A | -1.0349 | |
| 71 | M | A | -0.5515 | |
| 72 | T | A | -0.4195 | |
| 73 | I | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | Y | A | -0.2139 | |
| 76 | S | A | -0.5144 | |
| 77 | S | A | -0.4251 | |
| 78 | Q | A | -0.8144 | |
| 79 | L | A | 0.0000 | |
| 80 | G | A | -0.6729 | |
| 81 | T | A | 0.0321 | |
| 82 | Y | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | Y | A | 0.2462 | |
| 85 | Y | A | 0.0000 | |
| 86 | T | A | -0.6730 | |
| 87 | P | A | -0.6067 | |
| 88 | T | A | -0.7485 | |
| 89 | G | A | -1.0081 | |
| 90 | E | A | -1.6877 | |
| 91 | P | A | -0.5665 | |
| 92 | V | A | 0.7877 | |
| 93 | F | A | 1.4693 | |
| 94 | G | A | 0.1866 | |
| 95 | G | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | Q | A | -1.1731 | |
| 99 | N | A | -1.1132 | |
| 100 | A | A | 0.1431 | |
| 101 | S | A | 0.6536 | |
| 102 | L | A | 0.9686 | |
| 103 | I | A | 2.0150 | |
| 104 | A | A | 0.7194 | |
| 105 | H | A | 0.0000 | |
| 106 | L | A | 0.6418 | |
| 107 | A | A | -0.0868 | |
| 108 | R | A | -1.5899 | |
| 109 | T | A | 0.0000 | |
| 110 | F | A | 0.0577 | |
| 111 | Q | A | -0.9916 | |
| 112 | D | A | -0.7506 | |
| 113 | I | A | 0.0000 | |
| 114 | L | A | 0.4425 | |
| 115 | A | A | -0.0634 | |
| 116 | A | A | -0.4525 | |
| 117 | I | A | 0.0000 | |
| 118 | P | A | -0.6100 | |
| 119 | A | A | -0.7291 | |
| 120 | P | A | -1.3667 | |
| 121 | D | A | -2.5258 | |
| 122 | F | A | 0.0000 | |
| 123 | S | A | -1.6148 | |
| 124 | G | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | D | A | -0.6871 | |
| 130 | W | A | 0.0000 | |
| 131 | E | A | -1.8907 | |
| 132 | A | A | -0.9557 | |
| 133 | W | A | 0.0000 | |
| 134 | R | A | -0.8825 | |
| 135 | P | A | 0.0000 | |
| 136 | R | A | -0.8365 | |
| 137 | W | A | -0.5921 | |
| 138 | A | A | -0.1937 | |
| 139 | F | A | 0.0000 | |
| 140 | N | A | 0.0000 | |
| 141 | W | A | -0.7573 | |
| 142 | D | A | -1.7932 | |
| 143 | T | A | -1.0429 | |
| 144 | K | A | -1.2197 | |
| 145 | D | A | -1.2167 | |
| 146 | I | A | -0.8819 | |
| 147 | Y | A | 0.0000 | |
| 148 | R | A | -1.5435 | |
| 149 | Q | A | -1.7865 | |
| 150 | R | A | -1.4603 | |
| 151 | S | A | 0.0000 | |
| 152 | R | A | -2.2369 | |
| 153 | A | A | -1.3042 | |
| 154 | L | A | -0.9187 | |
| 155 | V | A | 0.0000 | |
| 156 | Q | A | -1.6027 | |
| 157 | A | A | -1.0710 | |
| 158 | Q | A | -1.5719 | |
| 159 | H | A | -1.5326 | |
| 160 | P | A | -1.5794 | |
| 161 | D | A | -2.0877 | |
| 162 | W | A | -1.1738 | |
| 163 | P | A | -1.0248 | |
| 164 | A | A | -1.1004 | |
| 165 | P | A | -1.1789 | |
| 166 | Q | A | -1.3981 | |
| 167 | V | A | 0.0000 | |
| 168 | E | A | -2.7266 | |
| 169 | A | A | -1.7385 | |
| 170 | V | A | -1.5545 | |
| 171 | A | A | 0.0000 | |
| 172 | Q | A | -2.3460 | |
| 173 | D | A | -2.6459 | |
| 174 | Q | A | -2.3905 | |
| 175 | F | A | 0.0000 | |
| 176 | Q | A | -1.7902 | |
| 177 | G | A | -1.8145 | |
| 178 | A | A | -1.4391 | |
| 179 | A | A | 0.0000 | |
| 180 | R | A | -1.8233 | |
| 181 | A | A | -0.8199 | |
| 182 | W | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | A | A | -0.7729 | |
| 185 | G | A | -0.5833 | |
| 186 | T | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | Q | A | -1.0748 | |
| 189 | L | A | -0.1245 | |
| 190 | G | A | 0.0000 | |
| 191 | R | A | -1.0377 | |
| 192 | A | A | -0.3849 | |
| 193 | L | A | -0.2557 | |
| 194 | R | A | 0.0000 | |
| 195 | P | A | -1.7373 | |
| 196 | R | A | -2.6511 | |
| 197 | G | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | Y | A | -0.2898 | |
| 203 | G | A | -0.4001 | |
| 204 | F | A | 0.0000 | |
| 205 | P | A | 0.0000 | |
| 206 | D | A | -0.3567 | |
| 207 | C | A | 0.0000 | |
| 208 | Y | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | Y | A | 0.0957 | |
| 211 | D | A | -1.3125 | |
| 212 | F | A | 0.0000 | |
| 213 | L | A | 1.0459 | |
| 214 | S | A | -0.2397 | |
| 215 | P | A | -0.7336 | |
| 216 | N | A | -1.3755 | |
| 217 | Y | A | -0.8607 | |
| 218 | T | A | -1.0058 | |
| 219 | G | A | 0.0000 | |
| 220 | Q | A | -1.5043 | |
| 221 | C | A | 0.0000 | |
| 222 | P | A | -0.9014 | |
| 223 | S | A | -0.7283 | |
| 224 | G | A | -0.8474 | |
| 225 | I | A | 0.0000 | |
| 226 | R | A | -1.8720 | |
| 227 | A | A | -1.4569 | |
| 228 | Q | A | -1.5506 | |
| 229 | N | A | 0.0000 | |
| 230 | D | A | -2.5428 | |
| 231 | Q | A | -2.0771 | |
| 232 | L | A | 0.0000 | |
| 233 | G | A | -1.0499 | |
| 234 | W | A | -0.6530 | |
| 235 | L | A | 0.0000 | |
| 236 | W | A | 0.0000 | |
| 237 | G | A | -0.6590 | |
| 238 | Q | A | -0.5745 | |
| 239 | S | A | 0.0000 | |
| 240 | R | A | -0.9215 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | S | A | -0.0213 | |
| 246 | I | A | 0.0000 | |
| 247 | Y | A | 0.0289 | |
| 248 | M | A | 0.0000 | |
| 249 | P | A | 0.3142 | |
| 250 | A | A | 0.1134 | |
| 251 | V | A | 1.5031 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | -1.0050 | |
| 254 | G | A | -0.8834 | |
| 255 | T | A | -0.6432 | |
| 256 | G | A | -0.9501 | |
| 257 | K | A | -0.6375 | |
| 258 | S | A | 0.0000 | |
| 259 | Q | A | -0.9389 | |
| 260 | M | A | -0.5558 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | Q | A | -0.7372 | |
| 264 | H | A | -0.6648 | |
| 265 | R | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | A | A | -0.3480 | |
| 268 | E | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | F | A | 0.2830 | |
| 271 | R | A | -0.2185 | |
| 272 | V | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | V | A | 1.3399 | |
| 275 | A | A | 0.2929 | |
| 276 | A | A | -0.2335 | |
| 277 | G | A | -0.3795 | |
| 278 | D | A | 0.0000 | |
| 279 | P | A | -0.1979 | |
| 280 | N | A | -0.4530 | |
| 281 | L | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | Q | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | D | A | -0.5569 | |
| 293 | T | A | -0.8412 | |
| 294 | T | A | -1.1533 | |
| 295 | N | A | -1.7147 | |
| 296 | H | A | -1.4864 | |
| 297 | F | A | -0.3088 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -0.3351 | |
| 300 | L | A | 0.4212 | |
| 301 | D | A | -1.3693 | |
| 302 | E | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -0.8792 | |
| 305 | H | A | -1.1026 | |
| 306 | S | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | S | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | Q | A | -0.3595 | |
| 314 | G | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | W | A | 0.3063 | |
| 322 | V | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | W | A | -0.6119 | |
| 325 | E | A | -2.1767 | |
| 326 | N | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | R | A | -2.8907 | |
| 329 | T | A | -2.5685 | |
| 330 | K | A | -2.8345 | |
| 331 | E | A | -2.9279 | |
| 332 | S | A | -2.3537 | |
| 333 | C | A | 0.0000 | |
| 334 | Q | A | -2.4658 | |
| 335 | A | A | -1.8518 | |
| 336 | I | A | 0.0000 | |
| 337 | K | A | -2.6192 | |
| 338 | E | A | -2.6563 | |
| 339 | Y | A | -1.3324 | |
| 340 | M | A | 0.0000 | |
| 341 | D | A | -1.8810 | |
| 342 | T | A | -0.8728 | |
| 343 | T | A | -0.2136 | |
| 344 | L | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | P | A | -0.1117 | |
| 347 | F | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | L | A | 0.3740 | |
| 350 | N | A | 0.0217 | |
| 351 | V | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | S | A | 0.0550 | |
| 354 | G | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | L | A | -0.4585 | |
| 357 | L | A | -0.1951 | |
| 358 | C | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | Q | A | -1.3538 | |
| 361 | A | A | -0.3043 | |
| 362 | L | A | -0.5821 | |
| 363 | C | A | 0.0000 | |
| 364 | S | A | -1.3179 | |
| 365 | G | A | -1.3297 | |
| 366 | H | A | -1.5955 | |
| 367 | G | A | 0.0000 | |
| 368 | R | A | -0.6598 | |
| 369 | C | A | 0.0000 | |
| 370 | V | A | -0.4564 | |
| 371 | R | A | 0.0000 | |
| 372 | R | A | -1.0710 | |
| 373 | T | A | -0.9658 | |
| 374 | S | A | -0.7591 | |
| 375 | H | A | -1.1599 | |
| 376 | P | A | -1.4940 | |
| 377 | K | A | -2.0629 | |
| 378 | A | A | -1.0008 | |
| 379 | L | A | -0.3068 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.1531 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | -0.8908 | |
| 384 | P | A | -0.5468 | |
| 385 | A | A | -0.3580 | |
| 386 | S | A | -0.6961 | |
| 387 | F | A | 0.0000 | |
| 388 | S | A | -0.9239 | |
| 389 | I | A | -0.3189 | |
| 390 | Q | A | -0.8045 | |
| 391 | L | A | -0.0710 | |
| 392 | T | A | -0.3086 | |
| 393 | P | A | -0.6512 | |
| 394 | G | A | -0.7914 | |
| 395 | G | A | -0.8247 | |
| 396 | G | A | -0.6427 | |
| 397 | P | A | -0.4276 | |
| 398 | L | A | -0.2641 | |
| 399 | S | A | -0.2422 | |
| 400 | L | A | -0.4746 | |
| 401 | R | A | -1.8972 | |
| 402 | G | A | -1.1446 | |
| 403 | A | A | -0.2287 | |
| 404 | L | A | 0.1120 | |
| 405 | S | A | -0.1787 | |
| 406 | L | A | 0.3475 | |
| 407 | E | A | -1.6450 | |
| 408 | D | A | -1.1917 | |
| 409 | Q | A | -0.6921 | |
| 410 | A | A | -0.7901 | |
| 411 | Q | A | -1.2408 | |
| 412 | M | A | 0.0000 | |
| 413 | A | A | -0.3770 | |
| 414 | V | A | 0.3104 | |
| 415 | E | A | -0.6663 | |
| 416 | F | A | 0.0000 | |
| 417 | K | A | -0.9977 | |
| 418 | C | A | -0.6770 | |
| 419 | R | A | -0.7923 | |
| 420 | C | A | -0.8784 | |
| 421 | Y | A | 0.0000 | |
| 422 | P | A | -0.2374 | |
| 423 | G | A | -0.2926 | |
| 424 | W | A | -1.5169 | |
| 425 | Q | A | -1.7151 | |
| 426 | A | A | -1.1238 | |
| 427 | P | A | -0.7588 | |
| 428 | W | A | -0.7753 | |
| 429 | C | A | 0.0000 | |
| 430 | E | A | -3.0971 | |
| 431 | R | A | -3.5030 | |
| 432 | K | A | -2.7239 | |
| 433 | S | A | -0.8813 | |
| 434 | M | A | 0.9121 | |
| 435 | W | A | 1.4194 | |
| 436 | T | A | 0.4353 |
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