| Chain sequence(s) |
A: MGSIGAASMEFCFDVFKELKVHHANENIFYCPIAIMSALAMVYLGAKDSTRTQINKVVRFDKLPGFGDSIEAQCGTSVNVHSSLRDILNQITKPNDVYSFSLASRLYAEERYPILPEYLQCVKELYRGGLEPINFQTAADQARELINSWVESQTNGIIRNVLQPSSVDSQTAMVLVNAIVFKGLWEKAFKDEDTQAMPFRVTEQESKPVQMMYQIGLFRVASMASEKMKILELPFASGTMSMLVLLPDEVSGLEQLESIINFEKLTEWTSSNVMEERKIKVYLPRMKMEEKYNLTSVLMAMGITDVFSSSANLSGISSAESLKISQAVHAAHAEINEAGREVVGSAEAGVDAASVSEEFRADHPFLFCIKHIATNAVLFFGRCVSP
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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:49)
[INFO] Main: Simulation completed successfully. (00:09:52)
|
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 | M | A | 1.0119 | |
| 2 | G | A | 0.1531 | |
| 3 | S | A | -0.1573 | |
| 4 | I | A | -0.2708 | |
| 5 | G | A | 0.0000 | |
| 6 | A | A | -0.5576 | |
| 7 | A | A | 0.0000 | |
| 8 | S | A | 0.0000 | |
| 9 | M | A | 0.0000 | |
| 10 | E | A | -0.7465 | |
| 11 | F | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | F | A | -0.8282 | |
| 14 | D | A | -1.3367 | |
| 15 | V | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | K | A | -1.9856 | |
| 18 | E | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | -1.4830 | |
| 21 | V | A | 0.2566 | |
| 22 | H | A | -1.0520 | |
| 23 | H | A | -1.3668 | |
| 24 | A | A | -1.3188 | |
| 25 | N | A | -2.3223 | |
| 26 | E | A | -2.5599 | |
| 27 | N | A | -1.7081 | |
| 28 | I | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | C | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | M | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | K | A | -2.6012 | |
| 48 | D | A | -2.8052 | |
| 49 | S | A | -1.7310 | |
| 50 | T | A | 0.0000 | |
| 51 | R | A | -2.1529 | |
| 52 | T | A | -1.8003 | |
| 53 | Q | A | -1.5539 | |
| 54 | I | A | 0.0000 | |
| 55 | N | A | -1.7039 | |
| 56 | K | A | -2.3508 | |
| 57 | V | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | R | A | -1.7099 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | -1.1819 | |
| 62 | K | A | -0.8688 | |
| 63 | L | A | 0.0000 | |
| 64 | P | A | 0.0472 | |
| 65 | G | A | -0.1678 | |
| 66 | F | A | 0.6632 | |
| 67 | G | A | -0.4392 | |
| 68 | D | A | -1.3466 | |
| 69 | S | A | -0.5935 | |
| 70 | I | A | 0.3144 | |
| 71 | E | A | -1.4509 | |
| 72 | A | A | -0.8869 | |
| 73 | Q | A | -1.8701 | |
| 74 | C | A | -1.3783 | |
| 75 | G | A | -0.9678 | |
| 76 | T | A | -0.6232 | |
| 77 | S | A | -0.1707 | |
| 78 | V | A | -0.1117 | |
| 79 | N | A | 0.0151 | |
| 80 | V | A | 0.0000 | |
| 81 | H | A | 0.0000 | |
| 82 | S | A | -1.0902 | |
| 83 | S | A | -0.8050 | |
| 84 | L | A | 0.0000 | |
| 85 | R | A | -2.3515 | |
| 86 | D | A | -2.6127 | |
| 87 | I | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | -2.5270 | |
| 90 | Q | A | -2.4774 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | K | A | -2.5220 | |
| 94 | P | A | -2.0418 | |
| 95 | N | A | -2.1842 | |
| 96 | D | A | -2.0683 | |
| 97 | V | A | -1.4385 | |
| 98 | Y | A | 0.0000 | |
| 99 | S | A | -1.3786 | |
| 100 | F | A | 0.0000 | |
| 101 | S | A | -0.6537 | |
| 102 | L | A | -0.1235 | |
| 103 | A | A | 0.0000 | |
| 104 | S | A | -0.5047 | |
| 105 | R | A | -0.7078 | |
| 106 | L | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | E | A | -3.2781 | |
| 111 | R | A | -3.0479 | |
| 112 | Y | A | 0.0000 | |
| 113 | P | A | -0.9619 | |
| 114 | I | A | -0.6316 | |
| 115 | L | A | -0.4780 | |
| 116 | P | A | -1.1745 | |
| 117 | E | A | -2.5099 | |
| 118 | Y | A | 0.0000 | |
| 119 | L | A | -1.6504 | |
| 120 | Q | A | -2.8577 | |
| 121 | C | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | K | A | -3.5875 | |
| 124 | E | A | -3.3582 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | R | A | -2.8192 | |
| 128 | G | A | -1.6975 | |
| 129 | G | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | E | A | -1.1515 | |
| 132 | P | A | -1.7270 | |
| 133 | I | A | 0.0000 | |
| 134 | N | A | -2.5427 | |
| 135 | F | A | 0.0000 | |
| 136 | Q | A | -2.8229 | |
| 137 | T | A | -1.5519 | |
| 138 | A | A | -1.7104 | |
| 139 | A | A | -2.6580 | |
| 140 | D | A | -3.3040 | |
| 141 | Q | A | -2.1267 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -2.2762 | |
| 144 | E | A | -2.1744 | |
| 145 | L | A | -0.1452 | |
| 146 | I | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | S | A | -1.0647 | |
| 149 | W | A | -0.7227 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -2.1906 | |
| 152 | S | A | -1.6062 | |
| 153 | Q | A | -1.3169 | |
| 154 | T | A | 0.0000 | |
| 155 | N | A | -1.9218 | |
| 156 | G | A | -1.5133 | |
| 157 | I | A | -1.0755 | |
| 158 | I | A | 0.0000 | |
| 159 | R | A | -2.9970 | |
| 160 | N | A | -2.9642 | |
| 161 | V | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | Q | A | -2.3045 | |
| 164 | P | A | -1.9170 | |
| 165 | S | A | -1.4882 | |
| 166 | S | A | -1.4565 | |
| 167 | V | A | 0.0000 | |
| 168 | D | A | -3.0647 | |
| 169 | S | A | -2.4919 | |
| 170 | Q | A | -2.1725 | |
| 171 | T | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | K | A | -1.4332 | |
| 183 | G | A | -0.9902 | |
| 184 | L | A | -0.9646 | |
| 185 | W | A | 0.0000 | |
| 186 | E | A | -1.6143 | |
| 187 | K | A | -1.3913 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | K | A | -2.5064 | |
| 191 | D | A | -3.7254 | |
| 192 | E | A | -3.7163 | |
| 193 | D | A | -3.2333 | |
| 194 | T | A | -2.7355 | |
| 195 | Q | A | -2.0765 | |
| 196 | A | A | -1.0806 | |
| 197 | M | A | -0.8612 | |
| 198 | P | A | -1.3287 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -2.5261 | |
| 201 | V | A | -1.8417 | |
| 202 | T | A | -2.4698 | |
| 203 | E | A | -3.3509 | |
| 204 | Q | A | -3.1431 | |
| 205 | E | A | -3.4370 | |
| 206 | S | A | -2.5624 | |
| 207 | K | A | -1.7440 | |
| 208 | P | A | -1.2203 | |
| 209 | V | A | -1.2215 | |
| 210 | Q | A | -1.7774 | |
| 211 | M | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | Y | A | -1.1596 | |
| 214 | Q | A | 0.0000 | |
| 215 | I | A | -0.3834 | |
| 216 | G | A | 0.0000 | |
| 217 | L | A | -1.1719 | |
| 218 | F | A | 0.0000 | |
| 219 | R | A | -2.4938 | |
| 220 | V | A | -1.7006 | |
| 221 | A | A | 0.0000 | |
| 222 | S | A | -0.9560 | |
| 223 | M | A | -0.8570 | |
| 224 | A | A | -1.0057 | |
| 225 | S | A | -0.8402 | |
| 226 | E | A | -1.6670 | |
| 227 | K | A | -2.7845 | |
| 228 | M | A | 0.0000 | |
| 229 | K | A | -1.2809 | |
| 230 | I | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | -0.3509 | |
| 235 | F | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | S | A | -0.8515 | |
| 238 | G | A | -0.4705 | |
| 239 | T | A | -0.1730 | |
| 240 | M | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | M | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | P | A | 0.0000 | |
| 248 | D | A | -3.2692 | |
| 249 | E | A | -2.9605 | |
| 250 | V | A | -1.9069 | |
| 251 | S | A | -1.9604 | |
| 252 | G | A | -2.3342 | |
| 253 | L | A | 0.0000 | |
| 254 | E | A | -2.6977 | |
| 255 | Q | A | -2.4524 | |
| 256 | L | A | 0.0000 | |
| 257 | E | A | -1.6973 | |
| 258 | S | A | -1.3483 | |
| 259 | I | A | -0.6128 | |
| 260 | I | A | 0.0000 | |
| 261 | N | A | -1.2145 | |
| 262 | F | A | -1.2041 | |
| 263 | E | A | -2.5004 | |
| 264 | K | A | -1.9603 | |
| 265 | L | A | 0.0000 | |
| 266 | T | A | -1.8563 | |
| 267 | E | A | -2.6134 | |
| 268 | W | A | 0.0000 | |
| 269 | T | A | -1.0918 | |
| 270 | S | A | -1.3221 | |
| 271 | S | A | -1.6066 | |
| 272 | N | A | -1.7748 | |
| 273 | V | A | -1.1176 | |
| 274 | M | A | 0.0000 | |
| 275 | E | A | -3.6035 | |
| 276 | E | A | -3.9185 | |
| 277 | R | A | -3.8025 | |
| 278 | K | A | -2.3911 | |
| 279 | I | A | 0.0000 | |
| 280 | K | A | -1.1681 | |
| 281 | V | A | 0.0000 | |
| 282 | Y | A | -0.5417 | |
| 283 | L | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | R | A | -1.4716 | |
| 286 | M | A | 0.0000 | |
| 287 | K | A | -2.5752 | |
| 288 | M | A | 0.0000 | |
| 289 | E | A | -2.4592 | |
| 290 | E | A | -1.9066 | |
| 291 | K | A | -1.8850 | |
| 292 | Y | A | 0.0000 | |
| 293 | N | A | -1.4059 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | -0.3881 | |
| 296 | S | A | -0.3931 | |
| 297 | V | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | M | A | 0.2581 | |
| 300 | A | A | 0.1894 | |
| 301 | M | A | -0.4055 | |
| 302 | G | A | -0.3443 | |
| 303 | I | A | 0.0000 | |
| 304 | T | A | -0.1690 | |
| 305 | D | A | -0.6416 | |
| 306 | V | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | S | A | -0.5074 | |
| 309 | S | A | -0.8550 | |
| 310 | S | A | -0.8696 | |
| 311 | A | A | -1.4381 | |
| 312 | N | A | -1.9862 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | -1.1831 | |
| 315 | G | A | -0.6991 | |
| 316 | I | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | S | A | -0.7560 | |
| 319 | A | A | -1.3792 | |
| 320 | E | A | -2.1729 | |
| 321 | S | A | -1.3550 | |
| 322 | L | A | 0.0000 | |
| 323 | K | A | -0.9783 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | -0.6257 | |
| 326 | Q | A | -0.4659 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | H | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | H | A | -1.4912 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.0396 | |
| 335 | I | A | 0.0000 | |
| 336 | N | A | -1.4623 | |
| 337 | E | A | 0.0000 | |
| 338 | A | A | -0.9610 | |
| 339 | G | A | -1.4563 | |
| 340 | R | A | -2.5902 | |
| 341 | E | A | -2.5164 | |
| 342 | V | A | -0.8672 | |
| 343 | V | A | -0.5464 | |
| 344 | G | A | -0.7680 | |
| 345 | S | A | -0.8120 | |
| 346 | A | A | -0.9557 | |
| 347 | E | A | -1.7448 | |
| 348 | A | A | -0.8411 | |
| 349 | G | A | -0.4163 | |
| 350 | V | A | 0.5918 | |
| 351 | D | A | -1.0104 | |
| 352 | A | A | -0.6981 | |
| 353 | A | A | -0.2241 | |
| 354 | S | A | -0.5621 | |
| 355 | V | A | 0.0000 | |
| 356 | S | A | -1.4005 | |
| 357 | E | A | -2.6569 | |
| 358 | E | A | -1.7423 | |
| 359 | F | A | 0.0000 | |
| 360 | R | A | -1.4185 | |
| 361 | A | A | 0.0000 | |
| 362 | D | A | -0.9009 | |
| 363 | H | A | 0.0000 | |
| 364 | P | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | C | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | 0.0000 | |
| 371 | H | A | 0.0000 | |
| 372 | I | A | 0.1793 | |
| 373 | A | A | -0.0390 | |
| 374 | T | A | -0.3808 | |
| 375 | N | A | -1.0006 | |
| 376 | A | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | F | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | R | A | 0.0000 | |
| 383 | C | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | S | A | -0.7786 | |
| 386 | P | A | -0.8638 |
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