| Chain sequence(s) |
A: MSAACWEEPWGAPGGFAKRVLVTGGAGFIASHMIVSLVEDYPNYMIINLDKLDYCASLKNLETISNKQNYKFIQGDICDSHFVKLLFETEKIDIVLHFAAQTHVDLSFVRAFEFTYVNVYGTHVLVSAAHEARVEKFIYVSTDEVYGGSLDKEFDESSPKQPTNPYASSKAAAECFVQSYWEQYKFPVVITRSSNVYGPHQYPEKVIPKFISLLQHNRKCCIHGSGLQTRNFLYATDVVEAFLTVLKKGKPGEIYNIGTNFEMSVVQLAKELIQLIKETNSESEMENWVDYVNDRPTNDMRYPMKSEKIHGLGWRPKVPWKEGIKKTIEWYRENFHNWKNVEKALEPFPV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AR111A,FA112A,AR12A,FR108A,VA109A,CR5A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.919988 kcal/mol |
| 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] FoldX: Building mutant model (00:02:18)
[INFO] FoldX: Starting FoldX energy minimalization (00:03:26)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:51)
[INFO] Main: Simulation completed successfully. (00:05:53)
|
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 | 0.9745 | |
| 2 | S | A | 0.0770 | |
| 3 | A | A | -0.0872 | |
| 4 | A | A | -0.6703 | |
| 5 | R | A | -2.0133 | mutated: CR5A |
| 6 | W | A | -1.1445 | |
| 7 | E | A | -2.6207 | |
| 8 | E | A | -2.3100 | |
| 9 | P | A | -0.8072 | |
| 10 | W | A | 0.0052 | |
| 11 | G | A | -1.2287 | |
| 12 | R | A | -2.0794 | mutated: AR12A |
| 13 | P | A | -1.3983 | |
| 14 | G | A | -1.5541 | |
| 15 | G | A | -1.4103 | |
| 16 | F | A | -0.6864 | |
| 17 | A | A | -0.9145 | |
| 18 | K | A | -1.1609 | |
| 19 | R | A | -1.0852 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | G | A | -0.3987 | |
| 25 | G | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | G | A | 0.2693 | |
| 28 | F | A | 0.3457 | |
| 29 | I | A | 0.3238 | |
| 30 | A | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | H | A | -0.0015 | |
| 33 | M | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | -0.7558 | |
| 36 | S | A | -1.2355 | |
| 37 | L | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | E | A | -2.8720 | |
| 40 | D | A | -2.7752 | |
| 41 | Y | A | -1.6603 | |
| 42 | P | A | -1.8822 | |
| 43 | N | A | -1.8344 | |
| 44 | Y | A | -1.0349 | |
| 45 | M | A | -0.7302 | |
| 46 | I | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -1.4571 | |
| 51 | K | A | -2.5561 | |
| 52 | L | A | -1.2856 | |
| 53 | D | A | -1.8970 | |
| 54 | Y | A | -0.2218 | |
| 55 | C | A | -0.0688 | |
| 56 | A | A | 0.0866 | |
| 57 | S | A | 0.0000 | |
| 58 | L | A | -0.6818 | |
| 59 | K | A | -2.1414 | |
| 60 | N | A | -1.3604 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -2.6923 | |
| 63 | T | A | -1.6407 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -2.0170 | |
| 66 | N | A | -2.5001 | |
| 67 | K | A | -2.7001 | |
| 68 | Q | A | -2.2552 | |
| 69 | N | A | 0.0000 | |
| 70 | Y | A | -1.1634 | |
| 71 | K | A | -0.7335 | |
| 72 | F | A | 0.1250 | |
| 73 | I | A | -0.4758 | |
| 74 | Q | A | -1.7522 | |
| 75 | G | A | -1.4766 | |
| 76 | D | A | -1.4649 | |
| 77 | I | A | 0.0000 | |
| 78 | C | A | 0.0000 | |
| 79 | D | A | -1.6633 | |
| 80 | S | A | -1.2557 | |
| 81 | H | A | -1.3804 | |
| 82 | F | A | -0.8388 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -1.8936 | |
| 85 | L | A | -0.6089 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | E | A | -2.4871 | |
| 89 | T | A | -1.3431 | |
| 90 | E | A | 0.0000 | |
| 91 | K | A | -2.6062 | |
| 92 | I | A | 0.0000 | |
| 93 | D | A | -1.8297 | |
| 94 | I | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | F | A | 0.2279 | |
| 99 | A | A | -0.2803 | |
| 100 | A | A | -0.2020 | |
| 101 | Q | A | -0.9246 | |
| 102 | T | A | -0.3229 | |
| 103 | H | A | -0.8476 | |
| 104 | V | A | -0.5118 | |
| 105 | D | A | -0.8823 | |
| 106 | L | A | -1.3891 | |
| 107 | S | A | 0.0000 | |
| 108 | R | A | -2.8377 | mutated: FR108A |
| 109 | A | A | -2.2870 | mutated: VA109A |
| 110 | R | A | -3.5863 | |
| 111 | R | A | -3.2662 | mutated: AR111A |
| 112 | A | A | -1.9484 | mutated: FA112A |
| 113 | E | A | -2.1855 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | -0.3841 | |
| 116 | Y | A | 0.6234 | |
| 117 | V | A | 0.3556 | |
| 118 | N | A | 0.0000 | |
| 119 | V | A | 0.8336 | |
| 120 | Y | A | 0.7963 | |
| 121 | G | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | H | A | 0.1680 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -0.9892 | |
| 128 | A | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | H | A | -1.9560 | |
| 131 | E | A | -2.9161 | |
| 132 | A | A | -2.9057 | |
| 133 | R | A | -3.1339 | |
| 134 | V | A | 0.0000 | |
| 135 | E | A | -1.9700 | |
| 136 | K | A | -1.4429 | |
| 137 | F | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | V | A | 0.2478 | |
| 141 | S | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | D | A | 0.0000 | |
| 144 | E | A | -0.5924 | |
| 145 | V | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | G | A | -1.1724 | |
| 149 | S | A | -1.1690 | |
| 150 | L | A | -0.5423 | |
| 151 | D | A | -2.2065 | |
| 152 | K | A | -2.8120 | |
| 153 | E | A | -3.1045 | |
| 154 | F | A | 0.0000 | |
| 155 | D | A | -2.2820 | |
| 156 | E | A | -1.3174 | |
| 157 | S | A | -0.7070 | |
| 158 | S | A | 0.0000 | |
| 159 | P | A | -0.9678 | |
| 160 | K | A | -1.2572 | |
| 161 | Q | A | -1.6182 | |
| 162 | P | A | -0.9930 | |
| 163 | T | A | -0.7458 | |
| 164 | N | A | -0.9192 | |
| 165 | P | A | 0.0000 | |
| 166 | Y | A | -1.0182 | |
| 167 | A | A | 0.0000 | |
| 168 | S | A | -0.5475 | |
| 169 | S | A | 0.0000 | |
| 170 | K | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | 0.4835 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | C | A | 1.0079 | |
| 176 | F | A | 0.9952 | |
| 177 | V | A | 0.0000 | |
| 178 | Q | A | -0.5506 | |
| 179 | S | A | -0.6464 | |
| 180 | Y | A | -0.6919 | |
| 181 | W | A | -1.4555 | |
| 182 | E | A | -2.5009 | |
| 183 | Q | A | -1.8666 | |
| 184 | Y | A | -0.5331 | |
| 185 | K | A | -1.9183 | |
| 186 | F | A | 0.0000 | |
| 187 | P | A | -1.4939 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | R | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | N | A | -0.3668 | |
| 196 | V | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | P | A | -0.5086 | |
| 200 | H | A | -0.2312 | |
| 201 | Q | A | 0.0000 | |
| 202 | Y | A | -0.1608 | |
| 203 | P | A | 0.0000 | |
| 204 | E | A | -0.8738 | |
| 205 | K | A | -0.8563 | |
| 206 | V | A | -0.1020 | |
| 207 | I | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | K | A | -0.4103 | |
| 210 | F | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -1.7409 | |
| 216 | H | A | -2.0208 | |
| 217 | N | A | -2.9162 | |
| 218 | R | A | -3.0455 | |
| 219 | K | A | -2.8734 | |
| 220 | C | A | 0.0000 | |
| 221 | C | A | -0.2179 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -0.7372 | |
| 224 | G | A | -1.0999 | |
| 225 | S | A | -0.1009 | |
| 226 | G | A | 0.0000 | |
| 227 | L | A | 0.9003 | |
| 228 | Q | A | 0.0000 | |
| 229 | T | A | -0.1798 | |
| 230 | R | A | -0.6634 | |
| 231 | N | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | T | A | -0.6041 | |
| 237 | D | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.8616 | |
| 241 | A | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | K | A | -2.4950 | |
| 248 | K | A | -2.4974 | |
| 249 | G | A | -2.0282 | |
| 250 | K | A | -2.3019 | |
| 251 | P | A | -1.6058 | |
| 252 | G | A | -1.3178 | |
| 253 | E | A | -1.0900 | |
| 254 | I | A | -0.5812 | |
| 255 | Y | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | T | A | -1.1207 | |
| 260 | N | A | -1.4587 | |
| 261 | F | A | -0.6448 | |
| 262 | E | A | -1.2795 | |
| 263 | M | A | -0.6012 | |
| 264 | S | A | 0.0000 | |
| 265 | V | A | -0.0494 | |
| 266 | V | A | -0.1469 | |
| 267 | Q | A | -1.3978 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | K | A | -1.8674 | |
| 271 | E | A | -1.5782 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | -1.6219 | |
| 274 | Q | A | -1.7369 | |
| 275 | L | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | K | A | -2.8982 | |
| 278 | E | A | -2.8179 | |
| 279 | T | A | -2.1390 | |
| 280 | N | A | -2.0150 | |
| 281 | S | A | -2.1359 | |
| 282 | E | A | -2.8364 | |
| 283 | S | A | -2.7868 | |
| 284 | E | A | -3.1661 | |
| 285 | M | A | -2.9431 | |
| 286 | E | A | -2.7984 | |
| 287 | N | A | -2.5985 | |
| 288 | W | A | -2.4931 | |
| 289 | V | A | -1.1356 | |
| 290 | D | A | -0.6313 | |
| 291 | Y | A | 0.3093 | |
| 292 | V | A | -0.3560 | |
| 293 | N | A | -1.9183 | |
| 294 | D | A | -1.9525 | |
| 295 | R | A | -2.5319 | |
| 296 | P | A | -1.9363 | |
| 297 | T | A | -1.6577 | |
| 298 | N | A | -1.5630 | |
| 299 | D | A | -0.7005 | |
| 300 | M | A | -0.5822 | |
| 301 | R | A | -1.1306 | |
| 302 | Y | A | 0.0000 | |
| 303 | P | A | -1.9079 | |
| 304 | M | A | 0.0000 | |
| 305 | K | A | -2.4560 | |
| 306 | S | A | 0.0000 | |
| 307 | E | A | -2.9042 | |
| 308 | K | A | -2.0292 | |
| 309 | I | A | 0.0000 | |
| 310 | H | A | -1.9852 | |
| 311 | G | A | -1.5376 | |
| 312 | L | A | -1.6093 | |
| 313 | G | A | -1.4496 | |
| 314 | W | A | 0.0000 | |
| 315 | R | A | -2.8886 | |
| 316 | P | A | -2.1463 | |
| 317 | K | A | -2.3356 | |
| 318 | V | A | -1.5041 | |
| 319 | P | A | -1.3462 | |
| 320 | W | A | -1.4715 | |
| 321 | K | A | -2.5617 | |
| 322 | E | A | -2.8025 | |
| 323 | G | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | K | A | -3.0585 | |
| 326 | K | A | -2.8999 | |
| 327 | T | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | E | A | -3.1189 | |
| 330 | W | A | -2.0253 | |
| 331 | Y | A | 0.0000 | |
| 332 | R | A | -2.3482 | |
| 333 | E | A | -2.8512 | |
| 334 | N | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | H | A | -2.3459 | |
| 337 | N | A | -2.4732 | |
| 338 | W | A | -2.1843 | |
| 339 | K | A | -3.0264 | |
| 340 | N | A | -2.5702 | |
| 341 | V | A | 0.0000 | |
| 342 | E | A | -3.5574 | |
| 343 | K | A | -3.4990 | |
| 344 | A | A | -2.3102 | |
| 345 | L | A | -2.2092 | |
| 346 | E | A | -2.6002 | |
| 347 | P | A | -0.6678 | |
| 348 | F | A | 0.7471 | |
| 349 | P | A | 0.8751 | |
| 350 | V | A | 1.8362 |
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