| Chain sequence(s) |
A: VYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSAPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FG136A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.500535 kcal/mol |
| 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 minimization (00:00:01)
[INFO] FoldX: Building mutant model (00:02:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:02:33)
[INFO] Main: Simulation completed successfully. (00:02:34)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 11 | V | A | 1.8143 | |
| 12 | Y | A | 0.5458 | |
| 13 | T | A | -0.0838 | |
| 14 | H | A | -0.8477 | |
| 15 | D | A | -1.8855 | |
| 16 | T | A | -0.4230 | |
| 17 | G | A | -0.4375 | |
| 18 | L | A | -0.2450 | |
| 19 | D | A | -1.7220 | |
| 20 | Y | A | -0.1156 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.0460 | |
| 23 | Y | A | 0.1168 | |
| 24 | S | A | -0.3333 | |
| 25 | D | A | -1.7604 | |
| 26 | Y | A | -0.4844 | |
| 27 | E | A | -1.7143 | |
| 28 | L | A | -0.2091 | |
| 29 | D | A | -1.3762 | |
| 30 | P | A | -0.4960 | |
| 31 | A | A | -0.0465 | |
| 32 | N | A | -0.3592 | |
| 33 | P | A | -0.3140 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -0.0105 | |
| 36 | G | A | -0.1278 | |
| 37 | G | A | -0.0688 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | W | A | 0.2092 | |
| 41 | I | A | -0.0893 | |
| 42 | E | A | -1.8640 | |
| 43 | G | A | -0.7938 | |
| 44 | A | A | 0.0302 | |
| 45 | F | A | 0.4707 | |
| 46 | V | A | 0.0000 | |
| 47 | P | A | -0.1026 | |
| 48 | P | A | -0.3022 | |
| 49 | S | A | -0.5907 | |
| 50 | E | A | -1.8547 | |
| 51 | A | A | -0.6829 | |
| 52 | R | A | -1.6648 | |
| 53 | I | A | 0.6040 | |
| 54 | S | A | 0.4746 | |
| 55 | I | A | 2.3525 | |
| 56 | F | A | 2.3069 | |
| 57 | D | A | 0.0000 | |
| 58 | Q | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | F | A | 2.0971 | |
| 61 | Y | A | 1.2361 | |
| 62 | T | A | 0.1190 | |
| 63 | S | A | 0.1082 | |
| 64 | D | A | -0.3085 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | 0.1347 | |
| 68 | T | A | 0.0000 | |
| 69 | T | A | -0.0156 | |
| 70 | F | A | 0.0000 | |
| 71 | H | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | W | A | 0.0000 | |
| 74 | N | A | -0.7177 | |
| 75 | G | A | 0.0000 | |
| 76 | N | A | -0.2732 | |
| 77 | A | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | R | A | -0.1741 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -0.5176 | |
| 82 | D | A | -0.7861 | |
| 83 | H | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | E | A | -1.8683 | |
| 86 | R | A | -0.9544 | |
| 87 | L | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | -0.1699 | |
| 90 | N | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | E | A | -1.2961 | |
| 93 | S | A | -0.2873 | |
| 94 | I | A | 0.2633 | |
| 95 | R | A | -1.8479 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | 2.0126 | |
| 98 | P | A | 0.0000 | |
| 99 | P | A | -0.2130 | |
| 100 | L | A | 0.1729 | |
| 101 | T | A | -0.1561 | |
| 102 | Q | A | -1.1047 | |
| 103 | D | A | -2.1063 | |
| 104 | E | A | -1.3014 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -0.7563 | |
| 107 | E | A | -1.8435 | |
| 108 | I | A | -0.1308 | |
| 109 | A | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | -0.8649 | |
| 112 | L | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | A | A | -0.0838 | |
| 115 | K | A | -0.7332 | |
| 116 | T | A | 0.0000 | |
| 117 | E | A | -0.4144 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | -0.5593 | |
| 120 | E | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | M | A | 0.1359 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -0.0178 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | 0.0131 | |
| 127 | I | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | R | A | -0.2352 | |
| 130 | G | A | 0.0000 | |
| 131 | Y | A | 0.8134 | |
| 132 | S | A | 0.0223 | |
| 133 | S | A | -0.0595 | |
| 134 | T | A | -0.1216 | |
| 135 | P | A | -0.3520 | |
| 136 | G | A | -0.6476 | mutated: FG136A |
| 137 | E | A | -1.1592 | |
| 138 | R | A | -2.0430 | |
| 139 | D | A | -0.3231 | |
| 140 | I | A | 1.9350 | |
| 141 | T | A | 0.0010 | |
| 142 | K | A | -1.6623 | |
| 143 | H | A | -0.8321 | |
| 144 | R | A | -1.8865 | |
| 145 | P | A | -0.4401 | |
| 146 | Q | A | -0.2102 | |
| 147 | V | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | S | A | -0.1220 | |
| 151 | A | A | -0.0167 | |
| 153 | P | A | -0.0543 | |
| 154 | Y | A | 0.0000 | |
| 155 | Q | A | -1.1671 | |
| 156 | W | A | 0.0760 | |
| 157 | I | A | 0.7268 | |
| 158 | V | A | 0.0000 | |
| 159 | P | A | -0.1861 | |
| 160 | F | A | -0.1323 | |
| 161 | D | A | -1.8536 | |
| 162 | R | A | -1.0268 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -2.0327 | |
| 165 | D | A | -1.4303 | |
| 166 | G | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | H | A | -0.3622 | |
| 169 | L | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | Q | A | -1.2364 | |
| 174 | S | A | -0.3935 | |
| 175 | V | A | 0.0355 | |
| 176 | R | A | -0.5380 | |
| 177 | R | A | 0.0000 | |
| 178 | T | A | -0.0259 | |
| 179 | P | A | -0.3719 | |
| 180 | R | A | -1.6241 | |
| 181 | S | A | -0.5261 | |
| 182 | S | A | -0.0555 | |
| 183 | I | A | 0.9531 | |
| 184 | D | A | -0.4267 | |
| 185 | P | A | 0.0000 | |
| 186 | Q | A | -0.2496 | |
| 187 | V | A | 0.0657 | |
| 188 | K | A | -0.2980 | |
| 189 | N | A | 0.0022 | |
| 190 | F | A | 0.9395 | |
| 191 | Q | A | -0.2113 | |
| 192 | W | A | 0.0709 | |
| 193 | G | A | -0.4642 | |
| 194 | D | A | -0.3089 | |
| 195 | L | A | 0.0000 | |
| 196 | I | A | 1.0024 | |
| 197 | R | A | -1.0993 | |
| 198 | A | A | 0.0000 | |
| 199 | I | A | 0.3247 | |
| 200 | Q | A | -0.6799 | |
| 201 | E | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | H | A | -1.3181 | |
| 204 | D | A | -2.3138 | |
| 205 | R | A | -2.2611 | |
| 206 | G | A | -0.7193 | |
| 207 | F | A | 0.1956 | |
| 208 | E | A | -0.7687 | |
| 209 | L | A | -0.0004 | |
| 210 | P | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | C | A | 0.4058 | |
| 216 | D | A | -1.8427 | |
| 217 | N | A | -1.3242 | |
| 218 | L | A | 0.0106 | |
| 219 | L | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | P | A | -0.0570 | |
| 224 | G | A | -0.1686 | |
| 225 | F | A | 0.0000 | |
| 226 | N | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | K | A | -0.9084 | |
| 232 | D | A | -1.9333 | |
| 233 | G | A | -0.4542 | |
| 234 | V | A | 0.2304 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | -0.2355 | |
| 237 | S | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | G | A | -0.6955 | |
| 240 | R | A | -1.9242 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | 0.2517 | |
| 244 | P | A | -0.0091 | |
| 245 | G | A | -0.0684 | |
| 246 | I | A | 0.1952 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | -0.3438 | |
| 249 | K | A | -0.8704 | |
| 250 | T | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | -0.6941 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | E | A | -1.8822 | |
| 257 | S | A | -0.4382 | |
| 258 | L | A | 0.4690 | |
| 259 | G | A | -0.3976 | |
| 260 | H | A | -0.8366 | |
| 261 | E | A | -1.8148 | |
| 262 | A | A | -0.1140 | |
| 263 | I | A | 1.2597 | |
| 264 | L | A | 0.8550 | |
| 265 | A | A | -0.0575 | |
| 266 | D | A | -1.0393 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -0.0094 | |
| 269 | P | A | -0.0218 | |
| 270 | A | A | -0.0363 | |
| 271 | E | A | -0.4841 | |
| 272 | L | A | 0.0000 | |
| 273 | Y | A | 0.0754 | |
| 274 | D | A | -1.7138 | |
| 275 | A | A | 0.0000 | |
| 276 | D | A | -0.7342 | |
| 277 | E | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | C | A | 0.0000 | |
| 282 | S | A | -0.0264 | |
| 283 | T | A | -0.0250 | |
| 284 | G | A | -0.0631 | |
| 285 | G | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.1657 | |
| 292 | S | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -0.8381 | |
| 295 | G | A | -0.7353 | |
| 296 | N | A | -0.8430 | |
| 297 | S | A | -0.3455 | |
| 298 | I | A | 0.0000 | |
| 299 | S | A | -0.5384 | |
| 300 | D | A | -1.8512 | |
| 301 | G | A | -0.1058 | |
| 302 | V | A | 1.7437 | |
| 303 | P | A | 0.2926 | |
| 304 | G | A | -0.1207 | |
| 305 | P | A | -0.2298 | |
| 306 | V | A | 0.1595 | |
| 307 | T | A | 0.0000 | |
| 308 | Q | A | -1.2147 | |
| 309 | S | A | -0.3080 | |
| 310 | I | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | R | A | -0.9877 | |
| 313 | R | A | -0.9253 | |
| 314 | Y | A | 0.0000 | |
| 315 | W | A | 0.0000 | |
| 316 | E | A | -1.1160 | |
| 317 | L | A | -0.0424 | |
| 318 | N | A | 0.0000 | |
| 319 | V | A | 0.6232 | |
| 320 | E | A | -1.6969 | |
| 321 | P | A | -0.6105 | |
| 322 | S | A | -0.2101 | |
| 323 | S | A | -0.1796 | |
| 324 | L | A | 0.2832 | |
| 325 | L | A | 0.2230 | |
| 326 | T | A | -0.0398 | |
| 327 | P | A | -0.2953 | |
| 328 | V | A | 0.0000 | |
| 329 | Q | A | -0.9560 | |
| 330 | Y | A | 1.0954 |
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