| Chain sequence(s) |
A: SFEGQMAEYPTISIDRFDRENLRARAYFLSHCHKDHMKGLRAPTLKRRLECLKVYLYCSPVTKELLLTSPKYRFWKKRIISIEIETPTQISLVDEASGEKEEIVVTLLPAGHCPGSVMFLFQGNNGTVLYTGDFRLAQGEAARMELLHSGGRVKDIQSVYLDTTFCDPRFYQIPSREECLSGVLELVRSWITRSPYHVVWLNCKAAYGYEYLFTNLSEELGVQVHVNKLDMFRNMPEILHHHLTTDRNTQIHACRHPKAEEYFQWSKLPCGITSRNRIPLHIISIKPSTMWFGERSTNVIVRTGESSYRACFSFHSSYSEIKDFLSYLCPVNAYPNVIPVGTTMDKVVEILKPLCRS
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | TI65A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -2.17846 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 minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:04:47)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:55)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:55)
[INFO] Main: Simulation completed successfully. (00:06:56)
|
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 | |
| 3 | S | A | -0.5376 | |
| 4 | F | A | 0.0000 | |
| 5 | E | A | -2.3228 | |
| 6 | G | A | 0.0000 | |
| 7 | Q | A | -1.3997 | |
| 8 | M | A | 0.0000 | |
| 9 | A | A | -0.3709 | |
| 10 | E | A | -0.9240 | |
| 11 | Y | A | 0.0000 | |
| 12 | P | A | -0.6175 | |
| 13 | T | A | -0.8316 | |
| 14 | I | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | I | A | 0.0000 | |
| 17 | D | A | 0.0000 | |
| 18 | R | A | -1.9190 | |
| 19 | F | A | 0.0000 | |
| 20 | D | A | -2.3448 | |
| 21 | R | A | -3.1484 | |
| 22 | E | A | -3.3580 | |
| 23 | N | A | 0.0000 | |
| 24 | L | A | -1.8194 | |
| 25 | R | A | -2.8184 | |
| 26 | A | A | 0.0000 | |
| 27 | R | A | -0.7899 | |
| 28 | A | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | H | A | 0.0000 | |
| 34 | C | A | -0.5841 | |
| 35 | H | A | 0.0000 | |
| 36 | K | A | -2.8101 | |
| 37 | D | A | -2.9582 | |
| 38 | H | A | -2.0446 | |
| 39 | M | A | -2.0282 | |
| 40 | K | A | -2.5819 | |
| 41 | G | A | -1.8261 | |
| 42 | L | A | 0.0000 | |
| 43 | R | A | -2.7124 | |
| 44 | A | A | -1.6320 | |
| 45 | P | A | -1.5899 | |
| 46 | T | A | -1.3582 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | -2.5385 | |
| 49 | R | A | -2.8998 | |
| 50 | R | A | -1.8699 | |
| 51 | L | A | 0.0000 | |
| 52 | E | A | -2.3103 | |
| 53 | C | A | -0.5130 | |
| 55 | L | A | 0.1854 | |
| 56 | K | A | -1.1751 | |
| 57 | V | A | 0.0000 | |
| 58 | Y | A | 0.0388 | |
| 59 | L | A | 0.0000 | |
| 60 | Y | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | P | A | -0.3976 | |
| 64 | V | A | -0.2788 | |
| 65 | I | A | 0.0000 | mutated: TI65A |
| 66 | K | A | -0.6278 | |
| 67 | E | A | -1.1866 | |
| 68 | L | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | -1.4356 | |
| 71 | T | A | -1.1198 | |
| 72 | S | A | -1.1802 | |
| 73 | P | A | -1.5583 | |
| 74 | K | A | -2.6093 | |
| 75 | Y | A | 0.0000 | |
| 76 | R | A | -3.1246 | |
| 77 | F | A | -2.0224 | |
| 78 | W | A | 0.0000 | |
| 79 | K | A | -2.9900 | |
| 80 | K | A | -2.5504 | |
| 81 | R | A | -1.5233 | |
| 82 | I | A | 0.0000 | |
| 83 | I | A | 0.2776 | |
| 84 | S | A | -0.1271 | |
| 85 | I | A | 0.0000 | |
| 86 | E | A | -1.9436 | |
| 87 | I | A | -1.3385 | |
| 88 | E | A | -2.2416 | |
| 89 | T | A | -1.4173 | |
| 90 | P | A | -0.9985 | |
| 91 | T | A | -0.9590 | |
| 92 | Q | A | -1.4131 | |
| 93 | I | A | 0.0000 | |
| 94 | S | A | -1.4130 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | -1.4346 | |
| 97 | D | A | -2.3456 | |
| 98 | E | A | -2.5256 | |
| 99 | A | A | -1.2771 | |
| 100 | S | A | -1.6289 | |
| 101 | G | A | -2.1484 | |
| 102 | E | A | -3.1393 | |
| 103 | K | A | -3.1699 | |
| 104 | E | A | -2.5602 | |
| 105 | E | A | -2.3020 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | -0.4946 | |
| 108 | V | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | P | A | -0.3964 | |
| 113 | A | A | 0.0000 | |
| 114 | G | A | -0.2966 | |
| 115 | H | A | 0.0000 | |
| 116 | C | A | 0.1376 | |
| 117 | P | A | 0.1526 | |
| 118 | G | A | -0.0088 | |
| 119 | S | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | M | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | Q | A | -1.1428 | |
| 126 | G | A | -1.8182 | |
| 127 | N | A | -2.3099 | |
| 128 | N | A | -1.9382 | |
| 129 | G | A | -1.6166 | |
| 130 | T | A | -1.2415 | |
| 131 | V | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | R | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | A | A | -1.0159 | |
| 141 | Q | A | -1.8446 | |
| 142 | G | A | -1.7931 | |
| 143 | E | A | -2.0086 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | -1.9165 | |
| 146 | R | A | -2.6809 | |
| 147 | M | A | 0.0000 | |
| 148 | E | A | -2.8289 | |
| 149 | L | A | -1.3698 | |
| 150 | L | A | 0.0000 | |
| 151 | H | A | -2.0684 | |
| 152 | S | A | -1.7479 | |
| 153 | G | A | -1.6159 | |
| 154 | G | A | -1.9151 | |
| 155 | R | A | -2.7094 | |
| 156 | V | A | -1.5372 | |
| 157 | K | A | -1.8688 | |
| 158 | D | A | -2.0810 | |
| 159 | I | A | 0.0000 | |
| 160 | Q | A | -1.0787 | |
| 161 | S | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | D | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | T | A | 0.4670 | |
| 168 | F | A | -0.0102 | |
| 169 | C | A | 0.0000 | |
| 170 | D | A | -0.8868 | |
| 171 | P | A | -1.2999 | |
| 172 | R | A | -1.9972 | |
| 173 | F | A | -0.7252 | |
| 174 | Y | A | -1.1832 | |
| 175 | Q | A | -0.8036 | |
| 176 | I | A | 0.0000 | |
| 177 | P | A | 0.0000 | |
| 178 | S | A | -1.5234 | |
| 179 | R | A | -1.5797 | |
| 180 | E | A | -2.7524 | |
| 181 | E | A | -2.8615 | |
| 182 | C | A | 0.0000 | |
| 183 | L | A | -1.2966 | |
| 184 | S | A | -1.5504 | |
| 185 | G | A | -1.1866 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | -1.1132 | |
| 188 | E | A | -1.3959 | |
| 189 | L | A | -0.5531 | |
| 190 | V | A | 0.0000 | |
| 191 | R | A | -1.5063 | |
| 192 | S | A | -1.0924 | |
| 193 | W | A | -0.9776 | |
| 194 | I | A | 0.0000 | |
| 195 | T | A | -1.1656 | |
| 196 | R | A | -2.0911 | |
| 197 | S | A | -1.0970 | |
| 198 | P | A | -0.6876 | |
| 199 | Y | A | -0.5292 | |
| 200 | H | A | -0.8378 | |
| 201 | V | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | W | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | N | A | -1.2176 | |
| 206 | C | A | 0.0000 | |
| 207 | K | A | -1.8629 | |
| 208 | A | A | -0.8277 | |
| 209 | A | A | -0.5903 | |
| 210 | Y | A | 0.0744 | |
| 211 | G | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | E | A | 0.0000 | |
| 214 | Y | A | 0.2016 | |
| 215 | L | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | -1.2720 | |
| 218 | N | A | -1.3691 | |
| 219 | L | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | E | A | -3.1046 | |
| 222 | E | A | -2.8326 | |
| 223 | L | A | -1.6009 | |
| 224 | G | A | -1.5441 | |
| 225 | V | A | -1.0453 | |
| 226 | Q | A | -1.7052 | |
| 227 | V | A | 0.0000 | |
| 228 | H | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | N | A | -2.6060 | |
| 231 | K | A | -2.3702 | |
| 232 | L | A | -1.5097 | |
| 233 | D | A | -1.9222 | |
| 234 | M | A | -1.2000 | |
| 235 | F | A | 0.0000 | |
| 236 | R | A | -2.5960 | |
| 237 | N | A | -2.4122 | |
| 238 | M | A | 0.0000 | |
| 239 | P | A | -1.9102 | |
| 240 | E | A | -2.1737 | |
| 241 | I | A | -1.2591 | |
| 242 | L | A | -1.4686 | |
| 243 | H | A | -1.8827 | |
| 244 | H | A | -1.5536 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | T | A | -2.2121 | |
| 248 | D | A | -3.0952 | |
| 249 | R | A | -2.9871 | |
| 250 | N | A | -2.6570 | |
| 251 | T | A | -1.5510 | |
| 252 | Q | A | -0.7469 | |
| 253 | I | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | A | A | -0.5662 | |
| 256 | C | A | 0.0000 | |
| 257 | R | A | -1.6636 | |
| 258 | H | A | -1.4244 | |
| 259 | P | A | -1.3592 | |
| 260 | K | A | -1.9837 | |
| 261 | A | A | 0.0000 | |
| 262 | E | A | -2.6661 | |
| 263 | E | A | -1.9709 | |
| 264 | Y | A | -1.0703 | |
| 265 | F | A | -0.9314 | |
| 266 | Q | A | -1.2376 | |
| 267 | W | A | 0.1862 | |
| 268 | S | A | -0.4264 | |
| 269 | K | A | -0.5588 | |
| 270 | L | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | C | A | -0.6216 | |
| 273 | G | A | -0.3132 | |
| 274 | I | A | -0.4043 | |
| 275 | T | A | -0.2924 | |
| 276 | S | A | -1.1714 | |
| 277 | R | A | -1.8545 | |
| 278 | N | A | -2.2575 | |
| 279 | R | A | -2.3815 | |
| 280 | I | A | -0.8281 | |
| 281 | P | A | -0.8579 | |
| 282 | L | A | 0.0000 | |
| 283 | H | A | -1.0144 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | K | A | -1.0982 | |
| 289 | P | A | 0.0000 | |
| 290 | S | A | -0.5267 | |
| 291 | T | A | 0.0365 | |
| 292 | M | A | 0.0000 | |
| 293 | W | A | 0.2554 | |
| 294 | F | A | -0.5744 | |
| 295 | G | A | -1.8801 | |
| 296 | E | A | -2.9216 | |
| 297 | R | A | -2.7092 | |
| 298 | S | A | -1.5286 | |
| 301 | T | A | -0.4826 | |
| 302 | N | A | -1.1196 | |
| 303 | V | A | -0.4262 | |
| 304 | I | A | -0.2007 | |
| 305 | V | A | -0.3704 | |
| 306 | R | A | -1.8486 | |
| 307 | T | A | -1.3206 | |
| 308 | G | A | -1.5791 | |
| 309 | E | A | -2.2705 | |
| 310 | S | A | -1.4903 | |
| 311 | S | A | -1.1636 | |
| 312 | Y | A | -1.0698 | |
| 313 | R | A | -0.8127 | |
| 314 | A | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | F | A | 0.1092 | |
| 319 | H | A | -0.0371 | |
| 320 | S | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | S | A | -0.9109 | |
| 324 | E | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | K | A | -0.9832 | |
| 327 | D | A | -1.4061 | |
| 328 | F | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | S | A | -0.2166 | |
| 331 | Y | A | 0.2139 | |
| 332 | L | A | 0.0000 | |
| 333 | C | A | -0.1554 | |
| 334 | P | A | 0.0000 | |
| 335 | V | A | -0.2310 | |
| 336 | N | A | -0.7700 | |
| 337 | A | A | -0.2372 | |
| 338 | Y | A | 0.2677 | |
| 339 | P | A | 0.0000 | |
| 340 | N | A | 0.0000 | |
| 341 | V | A | 0.7808 | |
| 342 | I | A | 0.9093 | |
| 343 | P | A | 1.0945 | |
| 344 | V | A | 1.7042 | |
| 345 | G | A | 0.4487 | |
| 346 | T | A | -0.0307 | |
| 347 | T | A | -0.4440 | |
| 348 | M | A | -0.6341 | |
| 349 | D | A | -2.3232 | |
| 350 | K | A | -2.1411 | |
| 351 | V | A | 0.0000 | |
| 352 | V | A | -1.6450 | |
| 353 | E | A | -2.8581 | |
| 354 | I | A | -1.6249 | |
| 355 | L | A | 0.0000 | |
| 356 | K | A | -2.1948 | |
| 357 | P | A | -1.4285 | |
| 358 | L | A | -0.8288 | |
| 359 | C | A | -0.6942 | |
| 360 | R | A | -0.9055 | |
| 361 | S | A | -0.6171 |
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