| Chain sequence(s) |
B: DNPFYFNSDNSWNTLFKNQYGHIRVLQRFDQQSKRLQNLEDYRLVEFRSKPETLLLPQQADAELLLVVRSGSAILVLVKPDDRREYFFLTSDNPIFSDHQKIPAGTIFYLVNPDPKEDLRIIQLAMPVNNPQIHEFFLSSTEAQQSYLQEFSKHILEASFNSKFEEINRVLFEEEGQQEGVIVNIDSEQIKELSKHAKSSNTIGNEFGNLTERTDNSLNVLISSIEMEEGALFVPHYYSKAIVILVVNEGEAHVELVGPKGETLEYESYRAELSKDDVFVIPAAYPVAIKATSNVNFTGFGINANNNNRNLLAGKTDNVISSIGRALDGKDVLGLTFSGSGDEVMKLINKQSGSYFVDAH
input PDB |
| Selected Chain(s) | B |
| 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 B 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 (00:03:55)
[INFO] Main: Simulation completed successfully. (00:03:57)
|
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 | |
| 11 | D | B | -1.8874 | |
| 12 | N | B | -1.4222 | |
| 13 | P | B | -1.1063 | |
| 14 | F | B | 0.0000 | |
| 15 | Y | B | -0.7038 | |
| 16 | F | B | 0.0000 | |
| 17 | N | B | -1.7625 | |
| 18 | S | B | -1.9555 | |
| 19 | D | B | -2.7083 | |
| 20 | N | B | -2.4889 | |
| 21 | S | B | 0.0000 | |
| 22 | W | B | 0.0000 | |
| 23 | N | B | -1.2047 | |
| 24 | T | B | -0.3602 | |
| 25 | L | B | 0.4871 | |
| 26 | F | B | -0.2431 | |
| 27 | K | B | -1.8178 | |
| 28 | N | B | -1.5462 | |
| 29 | Q | B | -1.8387 | |
| 30 | Y | B | -1.6265 | |
| 31 | G | B | 0.0000 | |
| 32 | H | B | 0.0000 | |
| 33 | I | B | 0.0000 | |
| 34 | R | B | -0.6890 | |
| 35 | V | B | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | Q | B | -1.3961 | |
| 38 | R | B | -1.8924 | |
| 39 | F | B | 0.0000 | |
| 40 | D | B | 0.0000 | |
| 41 | Q | B | -2.4500 | |
| 42 | Q | B | -1.8292 | |
| 43 | S | B | -2.1180 | |
| 44 | K | B | -3.2305 | |
| 45 | R | B | -2.5813 | |
| 46 | L | B | 0.0000 | |
| 47 | Q | B | -3.5144 | |
| 48 | N | B | -2.7668 | |
| 49 | L | B | 0.0000 | |
| 50 | E | B | -3.1393 | |
| 51 | D | B | -2.5360 | |
| 52 | Y | B | -1.3211 | |
| 53 | R | B | -0.9094 | |
| 54 | L | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | E | B | 0.0000 | |
| 57 | F | B | 0.0000 | |
| 58 | R | B | -1.9668 | |
| 59 | S | B | 0.0000 | |
| 60 | K | B | -3.0202 | |
| 61 | P | B | -2.3935 | |
| 62 | E | B | -2.0959 | |
| 63 | T | B | 0.0000 | |
| 64 | L | B | -0.2790 | |
| 65 | L | B | 0.0000 | |
| 66 | L | B | 0.5730 | |
| 67 | P | B | 0.6677 | |
| 68 | Q | B | 0.0000 | |
| 69 | Q | B | 0.0022 | |
| 70 | A | B | 0.0000 | |
| 71 | D | B | 0.0000 | |
| 72 | A | B | 0.0000 | |
| 73 | E | B | -0.3533 | |
| 74 | L | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | V | B | 0.0000 | |
| 78 | V | B | 0.0000 | |
| 79 | R | B | 0.0000 | |
| 80 | S | B | -1.0674 | |
| 81 | G | B | -1.3908 | |
| 82 | S | B | -0.9214 | |
| 83 | A | B | 0.0000 | |
| 84 | I | B | 0.0000 | |
| 85 | L | B | 0.0000 | |
| 86 | V | B | 0.0000 | |
| 87 | L | B | 0.0000 | |
| 88 | V | B | -1.5839 | |
| 89 | K | B | -2.8333 | |
| 90 | P | B | -2.4612 | |
| 91 | D | B | -3.7286 | |
| 92 | D | B | -4.1407 | |
| 93 | R | B | -4.3570 | |
| 94 | R | B | -3.4424 | |
| 95 | E | B | -1.5203 | |
| 96 | Y | B | -0.4340 | |
| 97 | F | B | -0.0511 | |
| 98 | F | B | -0.3379 | |
| 99 | L | B | 0.0000 | |
| 100 | T | B | -0.6082 | |
| 101 | S | B | -1.4274 | |
| 102 | D | B | -2.2271 | |
| 103 | N | B | -1.5837 | |
| 104 | P | B | -0.2745 | |
| 105 | I | B | 1.2915 | |
| 106 | F | B | 0.4754 | |
| 107 | S | B | -0.1715 | |
| 108 | D | B | -0.6611 | |
| 109 | H | B | -0.5728 | |
| 110 | Q | B | -0.7110 | |
| 111 | K | B | -0.9380 | |
| 112 | I | B | 0.0000 | |
| 113 | P | B | -0.5907 | |
| 114 | A | B | -0.1665 | |
| 115 | G | B | -0.2211 | |
| 116 | T | B | -0.2708 | |
| 117 | I | B | 0.4357 | |
| 118 | F | B | 0.0000 | |
| 119 | Y | B | 0.3666 | |
| 120 | L | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | N | B | 0.0000 | |
| 123 | P | B | -1.5341 | |
| 124 | D | B | -2.1106 | |
| 125 | P | B | -2.1472 | |
| 126 | K | B | -3.0387 | |
| 127 | E | B | -2.9986 | |
| 128 | D | B | -2.8135 | |
| 129 | L | B | 0.0000 | |
| 130 | R | B | -1.4377 | |
| 131 | I | B | 0.0000 | |
| 132 | I | B | 0.0000 | |
| 133 | Q | B | -0.3234 | |
| 134 | L | B | 0.0000 | |
| 135 | A | B | 0.0000 | |
| 136 | M | B | -0.5625 | |
| 137 | P | B | 0.0000 | |
| 138 | V | B | 0.3172 | |
| 139 | N | B | -1.2416 | |
| 140 | N | B | -2.1066 | |
| 141 | P | B | -1.8815 | |
| 142 | Q | B | -1.9437 | |
| 143 | I | B | -0.8388 | |
| 144 | H | B | -0.7124 | |
| 145 | E | B | -0.1081 | |
| 146 | F | B | 0.8623 | |
| 147 | F | B | 0.8018 | |
| 148 | L | B | 1.0830 | |
| 149 | S | B | 0.1387 | |
| 150 | S | B | -1.1795 | |
| 151 | T | B | 0.0000 | |
| 152 | E | B | -3.3447 | |
| 153 | A | B | -1.7681 | |
| 154 | Q | B | -1.3630 | |
| 155 | Q | B | -1.7079 | |
| 156 | S | B | 0.0000 | |
| 157 | Y | B | 0.2182 | |
| 158 | L | B | 0.2381 | |
| 159 | Q | B | -0.9229 | |
| 160 | E | B | -1.3378 | |
| 161 | F | B | 0.9151 | |
| 162 | S | B | -0.1260 | |
| 163 | K | B | -1.6355 | |
| 164 | H | B | -0.7640 | |
| 165 | I | B | 1.4279 | |
| 166 | L | B | 0.0000 | |
| 167 | E | B | -1.1632 | |
| 168 | A | B | -0.2210 | |
| 169 | S | B | 0.2427 | |
| 170 | F | B | 0.4831 | |
| 171 | N | B | -0.8934 | |
| 172 | S | B | -1.7219 | |
| 173 | K | B | -2.8006 | |
| 174 | F | B | -2.1459 | |
| 175 | E | B | -3.1966 | |
| 176 | E | B | -2.5742 | |
| 177 | I | B | 0.0000 | |
| 178 | N | B | -1.9898 | |
| 179 | R | B | -2.3881 | |
| 180 | V | B | 0.5697 | |
| 181 | L | B | 0.3233 | |
| 182 | F | B | 0.0000 | |
| 183 | E | B | -2.5348 | |
| 184 | E | B | -3.7580 | |
| 185 | E | B | -3.7608 | |
| 186 | G | B | -2.5213 | |
| 187 | Q | B | -2.7908 | |
| 188 | Q | B | -2.8236 | |
| 189 | E | B | -2.2585 | |
| 190 | G | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | I | B | 0.0000 | |
| 193 | V | B | -1.0446 | |
| 194 | N | B | -1.7797 | |
| 195 | I | B | -1.6691 | |
| 196 | D | B | -3.1343 | |
| 197 | S | B | -3.1106 | |
| 198 | E | B | -3.7410 | |
| 199 | Q | B | -3.4721 | |
| 200 | I | B | 0.0000 | |
| 201 | K | B | -4.0928 | |
| 202 | E | B | -3.9016 | |
| 203 | L | B | -2.5756 | |
| 204 | S | B | -2.5433 | |
| 205 | K | B | -3.5831 | |
| 206 | H | B | -2.7696 | |
| 207 | A | B | 0.0000 | |
| 208 | K | B | -1.7882 | |
| 209 | S | B | -1.5556 | |
| 210 | S | B | -1.0017 | |
| 220 | N | B | -1.3033 | |
| 221 | T | B | -0.7336 | |
| 222 | I | B | -0.0656 | |
| 223 | G | B | -1.0915 | |
| 224 | N | B | -1.5163 | |
| 225 | E | B | -2.3643 | |
| 226 | F | B | -2.0815 | |
| 227 | G | B | 0.0000 | |
| 228 | N | B | -1.7390 | |
| 229 | L | B | 0.0000 | |
| 230 | T | B | -0.9313 | |
| 231 | E | B | -0.7321 | |
| 232 | R | B | -1.0913 | |
| 233 | T | B | -1.2759 | |
| 234 | D | B | -1.5221 | |
| 235 | N | B | -2.2860 | |
| 236 | S | B | -1.1933 | |
| 237 | L | B | -1.1670 | |
| 238 | N | B | -2.1936 | |
| 239 | V | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | S | B | 0.0000 | |
| 243 | S | B | -0.8029 | |
| 244 | I | B | 0.0000 | |
| 245 | E | B | -2.8897 | |
| 246 | M | B | 0.0000 | |
| 247 | E | B | -3.5575 | |
| 248 | E | B | -3.3376 | |
| 249 | G | B | 0.0000 | |
| 250 | A | B | 0.0000 | |
| 251 | L | B | -0.6024 | |
| 252 | F | B | 0.0000 | |
| 253 | V | B | 0.0000 | |
| 254 | P | B | 0.0455 | |
| 255 | H | B | 0.0000 | |
| 256 | Y | B | -0.0137 | |
| 257 | Y | B | -0.5437 | |
| 258 | S | B | -1.3347 | |
| 259 | K | B | -2.1852 | |
| 260 | A | B | 0.0000 | |
| 261 | I | B | -0.3756 | |
| 262 | V | B | 0.0280 | |
| 263 | I | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | V | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | N | B | -1.9480 | |
| 268 | E | B | -3.0602 | |
| 269 | G | B | 0.0000 | |
| 270 | E | B | -2.9291 | |
| 271 | A | B | 0.0000 | |
| 272 | H | B | -1.8236 | |
| 273 | V | B | 0.0000 | |
| 274 | E | B | -1.9749 | |
| 275 | L | B | 0.0000 | |
| 276 | V | B | -0.2222 | |
| 277 | G | B | 0.0000 | |
| 278 | P | B | -1.2812 | |
| 279 | K | B | -2.4797 | |
| 280 | G | B | -1.9705 | |
| 283 | E | B | -2.1374 | |
| 284 | T | B | -0.8973 | |
| 285 | L | B | 0.3585 | |
| 286 | E | B | -1.4790 | |
| 287 | Y | B | -0.4957 | |
| 288 | E | B | -1.9426 | |
| 289 | S | B | -1.4177 | |
| 290 | Y | B | 0.0000 | |
| 291 | R | B | -2.7900 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.7134 | |
| 294 | L | B | 0.0000 | |
| 295 | S | B | -2.1589 | |
| 296 | K | B | -2.4639 | |
| 297 | D | B | -1.6814 | |
| 298 | D | B | 0.0000 | |
| 299 | V | B | 0.0000 | |
| 300 | F | B | 0.0000 | |
| 301 | V | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | P | B | -0.1533 | |
| 304 | A | B | -0.3319 | |
| 305 | A | B | -0.0860 | |
| 306 | Y | B | 0.5726 | |
| 307 | P | B | 0.2756 | |
| 308 | V | B | 0.0000 | |
| 309 | A | B | -0.4595 | |
| 310 | I | B | 0.0000 | |
| 311 | K | B | -1.4852 | |
| 312 | A | B | 0.0000 | |
| 313 | T | B | -1.8436 | |
| 314 | S | B | -2.4984 | |
| 315 | N | B | -3.5563 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -2.5397 | |
| 318 | F | B | 0.0000 | |
| 319 | T | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | F | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | I | B | 0.0000 | |
| 324 | N | B | -2.3357 | |
| 325 | A | B | 0.0000 | |
| 326 | N | B | -2.6217 | |
| 327 | N | B | -2.6686 | |
| 328 | N | B | -2.4105 | |
| 329 | N | B | -2.3127 | |
| 330 | R | B | -1.3798 | |
| 331 | N | B | -0.8039 | |
| 332 | L | B | 0.0000 | |
| 333 | L | B | 0.0516 | |
| 334 | A | B | -0.6484 | |
| 335 | G | B | 0.0000 | |
| 336 | K | B | -2.6236 | |
| 337 | T | B | -1.5363 | |
| 338 | D | B | -1.9242 | |
| 339 | N | B | 0.0000 | |
| 340 | V | B | 0.0081 | |
| 341 | I | B | 0.3515 | |
| 342 | S | B | -0.6610 | |
| 343 | S | B | -0.3527 | |
| 344 | I | B | 0.2440 | |
| 345 | G | B | 0.0000 | |
| 346 | R | B | -1.6204 | |
| 347 | A | B | -0.5662 | |
| 348 | L | B | 0.1471 | |
| 349 | D | B | -1.7434 | |
| 350 | G | B | 0.0000 | |
| 351 | K | B | -2.3484 | |
| 352 | D | B | -1.8514 | |
| 353 | V | B | 0.4551 | |
| 354 | L | B | 0.0000 | |
| 355 | G | B | -0.2808 | |
| 356 | L | B | 1.4521 | |
| 357 | T | B | 0.9904 | |
| 358 | F | B | 1.2063 | |
| 359 | S | B | 0.2595 | |
| 360 | G | B | -0.4601 | |
| 361 | S | B | -1.5233 | |
| 362 | G | B | 0.0000 | |
| 363 | D | B | -3.2354 | |
| 364 | E | B | -2.6872 | |
| 365 | V | B | 0.0000 | |
| 366 | M | B | -2.1077 | |
| 367 | K | B | -2.6990 | |
| 368 | L | B | -0.8278 | |
| 369 | I | B | -1.2735 | |
| 370 | N | B | -2.5486 | |
| 371 | K | B | -2.6705 | |
| 372 | Q | B | -2.1493 | |
| 373 | S | B | -1.6792 | |
| 374 | G | B | -1.3887 | |
| 375 | S | B | -1.0479 | |
| 376 | Y | B | 0.0000 | |
| 377 | F | B | 0.0000 | |
| 378 | V | B | -0.7454 | |
| 379 | D | B | -1.6601 | |
| 380 | A | B | -1.0586 | |
| 381 | H | B | -1.3918 |
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