| Chain sequence(s) |
A: MTAIIKEIVSRNKRRYQEDGFDLDLTYIYPNIIAMGFPAERLEGVYRNNIDDVVRFLDSKHKNHYKIYNLCAERHYDTAKFNCRVAQYPFEDHNPPQLELIKPFCEDLDQWLSEDDNHVAAIHCKAGKGRTGVMICAYLLHRGKFLKAQEALDFYGEVRTRDKKGVTIPSQRRYVYYYSYLLKNHLDYRPVALLFHKMMFETIPMFSGGTCNPQFVVCQLKVKIYSSNSGPTRREDKFMYFEFPQPLPVCGDIKVEFFHKQNKMLKKDKMFHFWVNTFFIPGPEETSEKVENGSLCDQEIDSICSIERADNDKEYLVLTLTKNDLDKANKDKANRYFSPNFKVKLYFTKTV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | YM16A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.425874 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 (00:06:42)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:57)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:52)
[INFO] Main: Simulation completed successfully. (00:10:54)
|
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 | 1.0428 | |
| 2 | T | A | 0.1362 | |
| 3 | A | A | 0.3677 | |
| 4 | I | A | 1.9305 | |
| 5 | I | A | 0.8332 | |
| 6 | K | A | -0.4057 | |
| 7 | E | A | -1.6050 | |
| 8 | I | A | 1.2268 | |
| 9 | V | A | 0.9565 | |
| 10 | S | A | 0.0000 | |
| 11 | R | A | -1.9617 | |
| 12 | N | A | -0.9887 | |
| 13 | K | A | 0.0000 | |
| 14 | R | A | -1.3809 | |
| 15 | R | A | -0.4953 | |
| 16 | M | A | 0.0000 | mutated: YM16A |
| 17 | Q | A | -1.5933 | |
| 18 | E | A | -2.3535 | |
| 19 | D | A | -2.1973 | |
| 20 | G | A | -0.7879 | |
| 21 | F | A | 0.0000 | |
| 22 | D | A | -0.7131 | |
| 23 | L | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | T | A | 0.0706 | |
| 27 | Y | A | 0.4254 | |
| 28 | I | A | 0.0000 | |
| 29 | Y | A | 0.3884 | |
| 30 | P | A | -0.2443 | |
| 31 | N | A | -0.4159 | |
| 32 | I | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | M | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | P | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | E | A | -0.9987 | |
| 41 | R | A | -1.6863 | |
| 42 | L | A | 1.1101 | |
| 43 | E | A | -0.3117 | |
| 44 | G | A | 0.0000 | |
| 45 | V | A | 0.7207 | |
| 46 | Y | A | 0.4364 | |
| 47 | R | A | -0.2305 | |
| 48 | N | A | 0.0000 | |
| 49 | N | A | -0.5502 | |
| 50 | I | A | 0.0000 | |
| 51 | D | A | -1.9384 | |
| 52 | D | A | -1.1523 | |
| 53 | V | A | 0.0000 | |
| 54 | V | A | -0.0245 | |
| 55 | R | A | -1.3308 | |
| 56 | F | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | D | A | -0.8051 | |
| 59 | S | A | -0.5131 | |
| 60 | K | A | -1.2304 | |
| 61 | H | A | -0.6491 | |
| 62 | K | A | -2.0306 | |
| 63 | N | A | -1.6272 | |
| 64 | H | A | -0.4963 | |
| 65 | Y | A | 0.0000 | |
| 66 | K | A | -0.2832 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | N | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | C | A | 0.0000 | |
| 72 | A | A | -0.0627 | |
| 73 | E | A | -0.7576 | |
| 74 | R | A | -1.4955 | |
| 75 | H | A | -1.2132 | |
| 76 | Y | A | 0.0000 | |
| 77 | D | A | -1.7940 | |
| 78 | T | A | -0.3371 | |
| 79 | A | A | -0.0061 | |
| 80 | K | A | -0.7718 | |
| 81 | F | A | 0.0000 | |
| 82 | N | A | -1.1431 | |
| 83 | C | A | 0.4602 | |
| 84 | R | A | -0.1331 | |
| 85 | V | A | 0.1286 | |
| 86 | A | A | -0.1277 | |
| 87 | Q | A | -0.9003 | |
| 88 | Y | A | -0.0376 | |
| 89 | P | A | -0.0660 | |
| 90 | F | A | 0.0000 | |
| 91 | E | A | -1.0573 | |
| 92 | D | A | -0.6752 | |
| 93 | H | A | -1.0832 | |
| 94 | N | A | -0.3829 | |
| 95 | P | A | 0.0000 | |
| 96 | P | A | 0.0000 | |
| 97 | Q | A | -0.5514 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | -1.7790 | |
| 100 | L | A | -0.0963 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.1017 | |
| 103 | P | A | -0.3114 | |
| 104 | F | A | 0.0000 | |
| 105 | C | A | 0.0000 | |
| 106 | E | A | -1.7416 | |
| 107 | D | A | -0.7225 | |
| 108 | L | A | 0.0000 | |
| 109 | D | A | -0.4506 | |
| 110 | Q | A | -1.2180 | |
| 111 | W | A | -0.0556 | |
| 112 | L | A | 0.1803 | |
| 113 | S | A | -0.5035 | |
| 114 | E | A | -1.9453 | |
| 115 | D | A | -1.1348 | |
| 116 | D | A | -2.1045 | |
| 117 | N | A | -1.5925 | |
| 118 | H | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | H | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | K | A | -0.5798 | |
| 126 | A | A | -0.0796 | |
| 127 | G | A | 0.0000 | |
| 128 | K | A | -0.3969 | |
| 129 | G | A | -0.1455 | |
| 130 | R | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | M | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | H | A | -0.4598 | |
| 142 | R | A | -1.4064 | |
| 143 | G | A | -0.8772 | |
| 144 | K | A | -1.0371 | |
| 145 | F | A | 0.3746 | |
| 146 | L | A | 1.3808 | |
| 147 | K | A | -0.9341 | |
| 148 | A | A | 0.0000 | |
| 149 | Q | A | -0.6344 | |
| 150 | E | A | -0.8030 | |
| 151 | A | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | D | A | -1.2060 | |
| 154 | F | A | 0.1872 | |
| 155 | Y | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | E | A | -1.4433 | |
| 158 | V | A | 0.0359 | |
| 159 | R | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | R | A | -1.9379 | |
| 162 | D | A | -1.1538 | |
| 163 | K | A | -2.2569 | |
| 164 | K | A | -2.0037 | |
| 165 | G | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | T | A | 0.0085 | |
| 168 | I | A | 0.3242 | |
| 169 | P | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | R | A | -0.3554 | |
| 173 | R | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | Y | A | 0.2010 | |
| 177 | Y | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0241 | |
| 180 | Y | A | 0.1581 | |
| 181 | L | A | 0.0000 | |
| 182 | L | A | 0.1638 | |
| 183 | K | A | -1.5895 | |
| 184 | N | A | -0.9508 | |
| 185 | H | A | -0.9575 | |
| 186 | L | A | 0.1464 | |
| 187 | D | A | -1.6330 | |
| 188 | Y | A | -0.4825 | |
| 189 | R | A | -1.8394 | |
| 190 | P | A | -0.4483 | |
| 191 | V | A | 0.2199 | |
| 192 | A | A | 0.0969 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.3741 | |
| 195 | F | A | 0.0000 | |
| 196 | H | A | -0.1906 | |
| 197 | K | A | -0.4571 | |
| 198 | M | A | 0.0000 | |
| 199 | M | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | E | A | -0.8263 | |
| 202 | T | A | -0.2658 | |
| 203 | I | A | 0.1992 | |
| 204 | P | A | 0.0000 | |
| 205 | M | A | 0.3019 | |
| 206 | F | A | 0.2321 | |
| 207 | S | A | -0.1087 | |
| 208 | G | A | -0.5604 | |
| 209 | G | A | -0.5186 | |
| 210 | T | A | -0.0754 | |
| 211 | C | A | 0.0000 | |
| 212 | N | A | -0.3319 | |
| 213 | P | A | 0.0000 | |
| 214 | Q | A | -0.1932 | |
| 215 | F | A | 0.0000 | |
| 216 | V | A | 0.1780 | |
| 217 | V | A | 0.0000 | |
| 218 | C | A | -0.2385 | |
| 219 | Q | A | -0.1983 | |
| 220 | L | A | 0.4368 | |
| 221 | K | A | -1.2423 | |
| 222 | V | A | 1.1601 | |
| 223 | K | A | -1.2653 | |
| 224 | I | A | 0.2939 | |
| 225 | Y | A | 0.3219 | |
| 226 | S | A | -0.0799 | |
| 227 | S | A | -0.2851 | |
| 228 | N | A | -1.3026 | |
| 229 | S | A | -0.4135 | |
| 230 | G | A | -0.1539 | |
| 231 | P | A | -0.1004 | |
| 232 | T | A | -0.4173 | |
| 233 | R | A | -2.1298 | |
| 234 | R | A | -2.1118 | |
| 235 | E | A | -2.0615 | |
| 236 | D | A | -2.2995 | |
| 237 | K | A | -1.6446 | |
| 238 | F | A | 0.0905 | |
| 239 | M | A | 0.0000 | |
| 240 | Y | A | 0.1350 | |
| 241 | F | A | 0.0000 | |
| 242 | E | A | -1.4646 | |
| 243 | F | A | 0.0000 | |
| 244 | P | A | -0.4725 | |
| 245 | Q | A | -1.2622 | |
| 246 | P | A | -0.3029 | |
| 247 | L | A | 0.0851 | |
| 248 | P | A | -0.1819 | |
| 249 | V | A | 0.0000 | |
| 250 | C | A | 0.1630 | |
| 251 | G | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | K | A | -0.2578 | |
| 255 | V | A | 0.0000 | |
| 256 | E | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | H | A | 0.0000 | |
| 260 | K | A | -0.8177 | |
| 261 | Q | A | -1.1223 | |
| 262 | N | A | -1.7173 | |
| 263 | K | A | -1.8023 | |
| 264 | M | A | 0.6720 | |
| 265 | L | A | 1.3647 | |
| 266 | K | A | -1.6237 | |
| 267 | K | A | -1.7170 | |
| 268 | D | A | -1.6118 | |
| 269 | K | A | -1.0359 | |
| 270 | M | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | H | A | -0.1332 | |
| 273 | F | A | 0.0000 | |
| 274 | W | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | N | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | F | A | 0.2751 | |
| 279 | F | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | P | A | -0.0341 | |
| 282 | G | A | -0.0903 | |
| 283 | P | A | -0.5363 | |
| 284 | E | A | -2.0392 | |
| 285 | E | A | -1.3632 | |
| 286 | T | A | -0.2918 | |
| 287 | S | A | -0.5703 | |
| 288 | E | A | -2.1657 | |
| 289 | K | A | -1.7001 | |
| 290 | V | A | 1.1221 | |
| 291 | E | A | -1.7221 | |
| 292 | N | A | -1.6905 | |
| 293 | G | A | -0.7459 | |
| 294 | S | A | -0.0211 | |
| 295 | L | A | 1.5854 | |
| 296 | C | A | 0.4139 | |
| 297 | D | A | -1.7118 | |
| 298 | Q | A | -1.8068 | |
| 299 | E | A | -1.9936 | |
| 300 | I | A | -0.2125 | |
| 301 | D | A | -0.6287 | |
| 302 | S | A | -0.2629 | |
| 303 | I | A | 0.3313 | |
| 304 | C | A | 0.1295 | |
| 305 | S | A | -0.0520 | |
| 306 | I | A | 0.3638 | |
| 307 | E | A | -1.4661 | |
| 308 | R | A | -2.2594 | |
| 309 | A | A | -0.6423 | |
| 310 | D | A | -2.0106 | |
| 311 | N | A | -1.8997 | |
| 312 | D | A | -2.2276 | |
| 313 | K | A | -1.8332 | |
| 314 | E | A | -2.0793 | |
| 315 | Y | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | T | A | -0.0465 | |
| 320 | L | A | 0.0000 | |
| 321 | T | A | -0.1049 | |
| 322 | K | A | 0.0000 | |
| 323 | N | A | -1.3613 | |
| 324 | D | A | -0.5982 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | 0.0000 | |
| 327 | K | A | -0.8910 | |
| 328 | A | A | 0.0000 | |
| 329 | N | A | -0.6350 | |
| 330 | K | A | -1.7695 | |
| 331 | D | A | -0.8337 | |
| 332 | K | A | -1.7299 | |
| 333 | A | A | -0.3328 | |
| 334 | N | A | -0.7948 | |
| 335 | R | A | -1.8074 | |
| 336 | Y | A | 0.3679 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | -0.0782 | |
| 339 | P | A | -0.4883 | |
| 340 | N | A | -1.3186 | |
| 341 | F | A | 0.0000 | |
| 342 | K | A | -0.5699 | |
| 343 | V | A | 0.0000 | |
| 344 | K | A | -0.2843 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | T | A | -0.1528 | |
| 349 | K | A | -0.7927 | |
| 350 | T | A | 0.1279 | |
| 351 | V | A | 1.7643 |
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