| 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 |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:10)
[INFO] Main: Simulation completed successfully. (00:07:12)
|
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 | 0.5984 | |
| 4 | A | A | 0.5918 | |
| 5 | C | A | 0.6220 | |
| 6 | W | A | 0.1962 | |
| 7 | E | A | -1.8935 | |
| 8 | E | A | -2.0347 | |
| 9 | P | A | -0.8242 | |
| 10 | W | A | 0.8567 | |
| 11 | G | A | 0.4383 | |
| 12 | L | A | 1.3220 | |
| 13 | P | A | 0.2360 | |
| 14 | G | A | -0.4858 | |
| 15 | G | A | 0.1677 | |
| 16 | F | A | 0.0640 | |
| 17 | A | A | -0.3520 | |
| 18 | K | A | -0.8723 | |
| 19 | R | A | -0.8648 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | G | A | -0.4054 | |
| 25 | G | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | G | A | 0.2953 | |
| 28 | F | A | 0.0000 | |
| 29 | I | A | 0.2312 | |
| 30 | A | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | H | A | -0.0395 | |
| 33 | M | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | -0.7455 | |
| 36 | S | A | -1.2425 | |
| 37 | L | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | E | A | -2.8590 | |
| 40 | D | A | -2.7626 | |
| 41 | Y | A | -1.6110 | |
| 42 | P | A | -1.8463 | |
| 43 | N | A | -1.7397 | |
| 44 | Y | A | -0.8633 | |
| 45 | M | A | -0.5973 | |
| 46 | I | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | N | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -1.3639 | |
| 51 | K | A | -2.4415 | |
| 52 | L | A | -1.0156 | |
| 53 | D | A | -1.5905 | |
| 54 | Y | A | 0.3659 | |
| 55 | C | A | 0.1911 | |
| 56 | A | A | 0.2040 | |
| 57 | S | A | 0.0000 | |
| 58 | L | A | -0.5643 | |
| 59 | K | A | -2.1016 | |
| 60 | N | A | -1.3658 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -2.6713 | |
| 63 | T | A | -1.6300 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -2.0081 | |
| 66 | N | A | -2.4969 | |
| 67 | K | A | -2.6918 | |
| 68 | Q | A | -2.2446 | |
| 69 | N | A | 0.0000 | |
| 70 | Y | A | -1.1438 | |
| 71 | K | A | -0.7442 | |
| 72 | F | A | 0.1175 | |
| 73 | I | A | -0.4733 | |
| 74 | Q | A | -1.7382 | |
| 75 | G | A | -1.4703 | |
| 76 | D | A | -1.4758 | |
| 77 | I | A | 0.0000 | |
| 78 | C | A | 0.0000 | |
| 79 | D | A | -1.6562 | |
| 80 | S | A | -1.2134 | |
| 81 | H | A | -1.3074 | |
| 82 | F | A | -0.7540 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -1.7218 | |
| 85 | L | A | -0.4636 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | E | A | -2.4257 | |
| 89 | T | A | -1.3045 | |
| 90 | E | A | 0.0000 | |
| 91 | K | A | -2.5481 | |
| 92 | I | A | 0.0000 | |
| 93 | D | A | -1.5091 | |
| 94 | I | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | F | A | 0.2122 | |
| 99 | A | A | -0.2698 | |
| 100 | A | A | -0.1795 | |
| 101 | Q | A | -0.7278 | |
| 102 | T | A | -0.3846 | |
| 103 | H | A | -0.5343 | |
| 104 | V | A | 0.4059 | |
| 105 | D | A | 0.4333 | |
| 106 | L | A | 0.6755 | |
| 107 | S | A | 0.0000 | |
| 108 | F | A | 2.5095 | |
| 109 | V | A | 2.1201 | |
| 110 | R | A | 0.0342 | |
| 111 | A | A | 1.0666 | |
| 112 | F | A | 1.6819 | |
| 113 | E | A | -0.0070 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | 0.6955 | |
| 116 | Y | A | 1.2352 | |
| 117 | V | A | 0.6328 | |
| 118 | N | A | 0.0000 | |
| 119 | V | A | 0.7757 | |
| 120 | Y | A | 0.6875 | |
| 121 | G | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | H | A | 0.1102 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | S | A | -0.9711 | |
| 128 | A | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | H | A | -1.8732 | |
| 131 | E | A | -2.8955 | |
| 132 | A | A | -2.8076 | |
| 133 | R | A | -2.9746 | |
| 134 | V | A | 0.0000 | |
| 135 | E | A | -1.3626 | |
| 136 | K | A | -1.1383 | |
| 137 | F | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | V | A | 0.2472 | |
| 141 | S | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | D | A | 0.0000 | |
| 144 | E | A | -0.6153 | |
| 145 | V | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | G | A | -1.2319 | |
| 149 | S | A | -1.2618 | |
| 150 | L | A | -0.6487 | |
| 151 | D | A | -2.3007 | |
| 152 | K | A | -2.9957 | |
| 153 | E | A | -3.2067 | |
| 154 | F | A | 0.0000 | |
| 155 | D | A | -2.3234 | |
| 156 | E | A | -1.3238 | |
| 157 | S | A | -0.7067 | |
| 158 | S | A | 0.0000 | |
| 159 | P | A | -0.9699 | |
| 160 | K | A | -1.2651 | |
| 161 | Q | A | -1.6215 | |
| 162 | P | A | -1.0240 | |
| 163 | T | A | -0.7619 | |
| 164 | N | A | -0.0027 | |
| 165 | P | A | 0.6373 | |
| 166 | Y | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | S | A | -0.4572 | |
| 169 | S | A | 0.0000 | |
| 170 | K | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | A | A | 0.4514 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | C | A | 1.0052 | |
| 176 | F | A | 0.9826 | |
| 177 | V | A | 0.0000 | |
| 178 | Q | A | -0.5544 | |
| 179 | S | A | -0.6521 | |
| 180 | Y | A | -0.6951 | |
| 181 | W | A | -1.4608 | |
| 182 | E | A | -2.5045 | |
| 183 | Q | A | -1.8681 | |
| 184 | Y | A | -0.5342 | |
| 185 | K | A | -1.9200 | |
| 186 | F | A | 0.0000 | |
| 187 | P | A | -1.3609 | |
| 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 | -0.3586 | |
| 196 | V | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | P | A | -0.5393 | |
| 200 | H | A | -0.2633 | |
| 201 | Q | A | 0.0000 | |
| 202 | Y | A | -0.2388 | |
| 203 | P | A | 0.0000 | |
| 204 | E | A | -1.0542 | |
| 205 | K | A | -0.9221 | |
| 206 | V | A | -0.1361 | |
| 207 | I | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | K | A | -0.4348 | |
| 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 | -1.7790 | |
| 216 | H | A | -1.9970 | |
| 217 | N | A | -2.9444 | |
| 218 | R | A | -3.1433 | |
| 219 | K | A | -2.9332 | |
| 220 | C | A | 0.0000 | |
| 221 | C | A | -0.2641 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -0.6754 | |
| 224 | G | A | 0.0000 | |
| 225 | S | A | -0.1128 | |
| 226 | G | A | 0.0000 | |
| 227 | L | A | 0.7976 | |
| 228 | Q | A | -0.2170 | |
| 229 | T | A | -0.2561 | |
| 230 | R | A | -0.6681 | |
| 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 | -0.6310 | |
| 237 | D | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | E | A | -1.9659 | |
| 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 | -2.5027 | |
| 248 | K | A | -2.5119 | |
| 249 | G | A | -2.0391 | |
| 250 | K | A | -2.3221 | |
| 251 | P | A | -1.5531 | |
| 252 | G | A | -1.3235 | |
| 253 | E | A | -1.0973 | |
| 254 | I | A | -0.5824 | |
| 255 | Y | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | T | A | -1.0361 | |
| 260 | N | A | -1.3388 | |
| 261 | F | A | -0.3873 | |
| 262 | E | A | -1.2047 | |
| 263 | M | A | -0.5844 | |
| 264 | S | A | 0.0000 | |
| 265 | V | A | -0.0884 | |
| 266 | V | A | -0.1730 | |
| 267 | Q | A | -1.4067 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | K | A | -1.8691 | |
| 271 | E | A | -1.6364 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | -1.7367 | |
| 274 | Q | A | -1.9458 | |
| 275 | L | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | K | A | -3.2904 | |
| 278 | E | A | -3.0215 | |
| 279 | T | A | -2.2772 | |
| 280 | N | A | -2.1730 | |
| 281 | S | A | -2.2263 | |
| 282 | E | A | -2.9036 | |
| 283 | S | A | -2.8753 | |
| 284 | E | A | -3.2109 | |
| 285 | M | A | -3.0159 | |
| 286 | E | A | -2.7911 | |
| 287 | N | A | -2.5958 | |
| 288 | W | A | -2.5091 | |
| 289 | V | A | -1.1737 | |
| 290 | D | A | -0.6942 | |
| 291 | Y | A | 0.1856 | |
| 292 | V | A | -0.3408 | |
| 293 | N | A | -1.8141 | |
| 294 | D | A | -1.7627 | |
| 295 | R | A | -2.1055 | |
| 296 | P | A | -1.7361 | |
| 297 | T | A | -1.5749 | |
| 298 | N | A | -1.5974 | |
| 299 | D | A | -0.9040 | |
| 300 | M | A | -0.6999 | |
| 301 | R | A | -1.2370 | |
| 302 | Y | A | 0.0000 | |
| 303 | P | A | -1.9277 | |
| 304 | M | A | 0.0000 | |
| 305 | K | A | -2.4992 | |
| 306 | S | A | 0.0000 | |
| 307 | E | A | -2.9213 | |
| 308 | K | A | -2.0478 | |
| 309 | I | A | 0.0000 | |
| 310 | H | A | -1.9882 | |
| 311 | G | A | -1.5393 | |
| 312 | L | A | -1.6135 | |
| 313 | G | A | -1.4501 | |
| 314 | W | A | 0.0000 | |
| 315 | R | A | -2.9023 | |
| 316 | P | A | -2.1647 | |
| 317 | K | A | -2.3522 | |
| 318 | V | A | -1.5121 | |
| 319 | P | A | -1.3258 | |
| 320 | W | A | -1.4432 | |
| 321 | K | A | -2.5740 | |
| 322 | E | A | -2.8084 | |
| 323 | G | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | K | A | -3.0672 | |
| 326 | K | A | -2.9168 | |
| 327 | T | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | E | A | -3.1234 | |
| 330 | W | A | -2.0256 | |
| 331 | Y | A | 0.0000 | |
| 332 | R | A | -2.3513 | |
| 333 | E | A | -2.8502 | |
| 334 | N | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | H | A | -2.3131 | |
| 337 | N | A | -2.5496 | |
| 338 | W | A | -2.3742 | |
| 339 | K | A | -3.3566 | |
| 340 | N | A | -3.2803 | |
| 341 | V | A | -2.9411 | |
| 342 | E | A | -3.7148 | |
| 343 | K | A | -3.7367 | |
| 344 | A | A | -2.5062 | |
| 345 | L | A | -2.3077 | |
| 346 | E | A | -2.5688 | |
| 347 | P | A | -0.6751 | |
| 348 | F | A | 0.7180 | |
| 349 | P | A | 0.8622 | |
| 350 | V | A | 1.8287 |
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