| Chain sequence(s) |
A: MSAACWEEPWGLPGGFAKRVLVTGGAGFIASHMIVSLVEDYPNYMIINLDKLDYCASLKNLETISNKQNYKFIQGDICDSHFVKLLFETEKIDIVLHFAAQTHVDLSFVRAFEFTYVNVYGTHVLVSAAHEARVEKFIYVSTDEVYGGSLDKEFDESSPKQPTNPYASSKAAAECFVQSYWEQYKFPVVITRSSNVYGPHQYPEKVIPKFISLLQHNRKCCIHGSGLQTRNFLYATDVVEAFLTVLKKGKPGEIYNIGTNFEMSVVQLAKELIQLIKETNSESEMENWVDYVNDRPTNDMRYPMKSEKIHGLGWRPKVPWKEGIKKTIEWYRENFHNWKNVEKALEPFPV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LA12A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.55793 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 (00:02:32)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:37)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:13)
[INFO] Main: Simulation completed successfully. (00:05:15)
|
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 | 0.4409 | |
| 3 | A | A | 0.5897 | |
| 4 | A | A | 0.5740 | |
| 5 | C | A | 0.6381 | |
| 6 | W | A | 0.2442 | |
| 7 | E | A | -1.7312 | |
| 8 | E | A | -1.6577 | |
| 9 | P | A | -0.6459 | |
| 10 | W | A | 0.5568 | |
| 11 | G | A | -0.2707 | |
| 12 | A | A | -0.2032 | mutated: LA12A |
| 13 | P | A | -0.4956 | |
| 14 | G | A | -0.9635 | |
| 15 | G | A | -0.5507 | |
| 16 | F | A | -0.2963 | |
| 17 | A | A | -0.5896 | |
| 18 | K | A | -1.0691 | |
| 19 | R | A | -0.9860 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | G | A | -0.4033 | |
| 25 | G | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | G | A | 0.2694 | |
| 28 | F | A | 0.3458 | |
| 29 | I | A | 0.3235 | |
| 30 | A | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | H | A | -0.0005 | |
| 33 | M | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | -0.7514 | |
| 36 | S | A | -1.2401 | |
| 37 | L | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | E | A | -2.8692 | |
| 40 | D | A | -2.7738 | |
| 41 | Y | A | -1.6539 | |
| 42 | P | A | -1.8741 | |
| 43 | N | A | -1.8102 | |
| 44 | Y | A | -0.9942 | |
| 45 | M | A | -0.6771 | |
| 46 | I | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -1.4640 | |
| 51 | K | A | -2.5677 | |
| 52 | L | A | -1.2911 | |
| 53 | D | A | -1.8980 | |
| 54 | Y | A | -0.2217 | |
| 55 | C | A | -0.0675 | |
| 56 | A | A | 0.0899 | |
| 57 | S | A | 0.0000 | |
| 58 | L | A | -0.6811 | |
| 59 | K | A | -2.1408 | |
| 60 | N | A | -1.3594 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -2.6909 | |
| 63 | T | A | -1.6386 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -2.0107 | |
| 66 | N | A | -2.4941 | |
| 67 | K | A | -2.6883 | |
| 68 | Q | A | -2.2480 | |
| 69 | N | A | 0.0000 | |
| 70 | Y | A | -1.1431 | |
| 71 | K | A | -0.7177 | |
| 72 | F | A | 0.1362 | |
| 73 | I | A | -0.4751 | |
| 74 | Q | A | -1.7580 | |
| 75 | G | A | -1.4949 | |
| 76 | D | A | -1.4990 | |
| 77 | I | A | 0.0000 | |
| 78 | C | A | 0.0000 | |
| 79 | D | A | -1.6900 | |
| 80 | S | A | -1.2654 | |
| 81 | H | A | -1.3772 | |
| 82 | F | A | -0.8432 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -1.8743 | |
| 85 | L | A | -0.5840 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | E | A | -2.4773 | |
| 89 | T | A | -1.3356 | |
| 90 | E | A | 0.0000 | |
| 91 | K | A | -2.5842 | |
| 92 | I | A | 0.0000 | |
| 93 | D | A | -1.7891 | |
| 94 | I | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | F | A | 0.2273 | |
| 99 | A | A | -0.2809 | |
| 100 | A | A | -0.1675 | |
| 101 | Q | A | -0.6966 | |
| 102 | T | A | -0.3703 | |
| 103 | H | A | -0.5042 | |
| 104 | V | A | 0.4418 | |
| 105 | D | A | 0.4507 | |
| 106 | L | A | 0.7007 | |
| 107 | S | A | 0.0000 | |
| 108 | F | A | 2.5377 | |
| 109 | V | A | 2.1386 | |
| 110 | R | A | 0.0911 | |
| 111 | A | A | 1.1181 | |
| 112 | F | A | 1.7118 | |
| 113 | E | A | 0.0534 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | 0.7378 | |
| 116 | Y | A | 1.2622 | |
| 117 | V | A | 0.6534 | |
| 118 | N | A | 0.0000 | |
| 119 | V | A | 0.7823 | |
| 120 | Y | A | 0.7007 | |
| 121 | G | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | H | A | 0.1183 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -0.9855 | |
| 128 | A | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | H | A | -1.9501 | |
| 131 | E | A | -2.9130 | |
| 132 | A | A | -2.9012 | |
| 133 | R | A | -3.1283 | |
| 134 | V | A | 0.0000 | |
| 135 | E | A | -1.9544 | |
| 136 | K | A | -1.4327 | |
| 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 | -0.5987 | |
| 145 | V | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | G | A | -1.2126 | |
| 149 | S | A | -1.2058 | |
| 150 | L | A | -0.5895 | |
| 151 | D | A | -2.2067 | |
| 152 | K | A | -2.8115 | |
| 153 | E | A | -3.1063 | |
| 154 | F | A | 0.0000 | |
| 155 | D | A | -2.2819 | |
| 156 | E | A | -1.3171 | |
| 157 | S | A | -0.7055 | |
| 158 | S | A | 0.0000 | |
| 159 | P | A | -0.9672 | |
| 160 | K | A | -1.2622 | |
| 161 | Q | A | -1.6197 | |
| 162 | P | A | -1.0036 | |
| 163 | T | A | -0.7437 | |
| 164 | N | A | 0.0360 | |
| 165 | P | A | 0.7024 | |
| 166 | Y | A | -0.0753 | |
| 167 | A | A | 0.0000 | |
| 168 | S | A | -0.4167 | |
| 169 | S | A | 0.0000 | |
| 170 | K | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | 0.4649 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | C | A | 1.0080 | |
| 176 | F | A | 0.9913 | |
| 177 | V | A | 0.0000 | |
| 178 | Q | A | -0.5492 | |
| 179 | S | A | -0.6457 | |
| 180 | Y | A | -0.6895 | |
| 181 | W | A | -1.4524 | |
| 182 | E | A | -2.4999 | |
| 183 | Q | A | -1.8660 | |
| 184 | Y | A | -0.5317 | |
| 185 | K | A | -1.9164 | |
| 186 | F | A | 0.0000 | |
| 187 | P | A | -1.4868 | |
| 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 | -0.3580 | |
| 196 | V | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | P | A | -0.5099 | |
| 200 | H | A | -0.2319 | |
| 201 | Q | A | 0.0000 | |
| 202 | Y | A | -0.1738 | |
| 203 | P | A | 0.0000 | |
| 204 | E | A | -0.9604 | |
| 205 | K | A | -0.9125 | |
| 206 | V | A | -0.1277 | |
| 207 | I | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | K | A | -0.4169 | |
| 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 | -1.7258 | |
| 216 | H | A | -1.9853 | |
| 217 | N | A | -2.8964 | |
| 218 | R | A | -3.0274 | |
| 219 | K | A | -2.8654 | |
| 220 | C | A | 0.0000 | |
| 221 | C | A | -0.2166 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -0.6475 | |
| 224 | G | A | -1.0293 | |
| 225 | S | A | -0.1149 | |
| 226 | G | A | 0.0000 | |
| 227 | L | A | 0.7882 | |
| 228 | Q | A | -0.2190 | |
| 229 | T | A | -0.2648 | |
| 230 | R | A | -0.6804 | |
| 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 | -0.6189 | |
| 237 | D | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.9131 | |
| 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 | -2.4946 | |
| 248 | K | A | -2.4963 | |
| 249 | G | A | -2.0253 | |
| 250 | K | A | -2.2987 | |
| 251 | P | A | -1.6001 | |
| 252 | G | A | -1.3143 | |
| 253 | E | A | -1.0860 | |
| 254 | I | A | -0.5791 | |
| 255 | Y | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | T | A | -1.1197 | |
| 260 | N | A | -1.4577 | |
| 261 | F | A | -0.6392 | |
| 262 | E | A | -1.2837 | |
| 263 | M | A | -0.6130 | |
| 264 | S | A | 0.0000 | |
| 265 | V | A | -0.0715 | |
| 266 | V | A | -0.1543 | |
| 267 | Q | A | -1.4038 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | K | A | -1.8663 | |
| 271 | E | A | -1.5813 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | -1.6331 | |
| 274 | Q | A | -1.7544 | |
| 275 | L | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | K | A | -2.9286 | |
| 278 | E | A | -2.8335 | |
| 279 | T | A | -2.1491 | |
| 280 | N | A | -2.0255 | |
| 281 | S | A | -2.1420 | |
| 282 | E | A | -2.8410 | |
| 283 | S | A | -2.7932 | |
| 284 | E | A | -3.1699 | |
| 285 | M | A | -2.9486 | |
| 286 | E | A | -2.7986 | |
| 287 | N | A | -2.5986 | |
| 288 | W | A | -2.4916 | |
| 289 | V | A | -1.1332 | |
| 290 | D | A | -0.6316 | |
| 291 | Y | A | 0.3094 | |
| 292 | V | A | -0.2904 | |
| 293 | N | A | -1.7994 | |
| 294 | D | A | -1.7580 | |
| 295 | R | A | -2.1261 | |
| 296 | P | A | -1.7529 | |
| 297 | T | A | -1.5987 | |
| 298 | N | A | -1.6153 | |
| 299 | D | A | -0.9264 | |
| 300 | M | A | -0.7122 | |
| 301 | R | A | -1.2078 | |
| 302 | Y | A | 0.0000 | |
| 303 | P | A | -1.9075 | |
| 304 | M | A | 0.0000 | |
| 305 | K | A | -2.4666 | |
| 306 | S | A | 0.0000 | |
| 307 | E | A | -2.9091 | |
| 308 | K | A | -2.0336 | |
| 309 | I | A | 0.0000 | |
| 310 | H | A | -1.9898 | |
| 311 | G | A | -1.5398 | |
| 312 | L | A | -1.6104 | |
| 313 | G | A | -1.4508 | |
| 314 | W | A | 0.0000 | |
| 315 | R | A | -2.8969 | |
| 316 | P | A | -2.1562 | |
| 317 | K | A | -2.3440 | |
| 318 | V | A | -1.5085 | |
| 319 | P | A | -1.3510 | |
| 320 | W | A | -1.4742 | |
| 321 | K | A | -2.5638 | |
| 322 | E | A | -2.8058 | |
| 323 | G | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | K | A | -3.0609 | |
| 326 | K | A | -2.9047 | |
| 327 | T | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | E | A | -3.1186 | |
| 330 | W | A | -2.0235 | |
| 331 | Y | A | 0.0000 | |
| 332 | R | A | -2.3452 | |
| 333 | E | A | -2.8489 | |
| 334 | N | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | H | A | -2.3186 | |
| 337 | N | A | -2.4541 | |
| 338 | W | A | -2.1390 | |
| 339 | K | A | -2.9929 | |
| 340 | N | A | -2.5297 | |
| 341 | V | A | -2.5667 | |
| 342 | E | A | -3.4763 | |
| 343 | K | A | -3.4679 | |
| 344 | A | A | -2.2855 | |
| 345 | L | A | -2.1802 | |
| 346 | E | A | -2.5757 | |
| 347 | P | A | -0.6745 | |
| 348 | F | A | 0.7393 | |
| 349 | P | A | 0.8686 | |
| 350 | V | A | 1.8325 |
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