| Chain sequence(s) |
A: MSVLVSGASGFIAKHIIRVLLEQNYKVIGTVRSQEKADKLLKQFNNPNLSYEIVPDIADLDAFDDIFKKHGKEIKYVIHTASPFNFNAKDLEKDLVLPAINGTKNMFEAIKKYAPDTVERVVMTSSFAAIMDPHRQNDPTLTLDEETWNPVTWENAYENVFTAYCASKTFAEKAAWKFVKENKDEVKFKLTTINPSFVFGPQAFDEDVTKKLNETCEIINKLLHAPPDTKVDKTYFGQFIDVRDVAKAHVLAFQKDELINQRLLLCNGAFSQQDIVNVFNEKFPELKGQFPPEDKDTDLNKGVTGCKIDNEKTKKLLGFEFTPFHKTIHDTVKQILKKEGRV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | DP256A,TV192A,NG24A,QE34A,YF51A,HY329A,QM136A,FW197A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -4.1287 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 (00:00:01)
[INFO] FoldX: Building mutant model (00:03:35)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:27)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:04)
[INFO] Main: Simulation completed successfully. (00:09:06)
|
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 | 0.0725 | |
| 2 | S | A | 0.0000 | |
| 3 | V | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.0000 | |
| 6 | S | A | 0.0000 | |
| 7 | G | A | -0.5061 | |
| 8 | A | A | 0.0000 | |
| 9 | S | A | -0.7276 | |
| 10 | G | A | -0.1157 | |
| 11 | F | A | 0.0425 | |
| 12 | I | A | 0.1472 | |
| 13 | A | A | 0.0000 | |
| 14 | K | A | 0.0000 | |
| 15 | H | A | 0.0000 | |
| 16 | I | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | R | A | -1.2560 | |
| 19 | V | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | L | A | -1.8443 | |
| 22 | E | A | -2.5402 | |
| 23 | Q | A | -2.4020 | |
| 24 | G | A | -1.9327 | mutated: NG24A |
| 25 | Y | A | -1.3545 | |
| 26 | K | A | -1.9060 | |
| 27 | V | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | G | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | R | A | -2.8192 | |
| 33 | S | A | -2.8878 | |
| 34 | E | A | -3.8854 | mutated: QE34A |
| 35 | E | A | -4.1918 | |
| 36 | K | A | -3.5291 | |
| 37 | A | A | 0.0000 | |
| 38 | D | A | -3.8160 | |
| 39 | K | A | -3.7715 | |
| 40 | L | A | 0.0000 | |
| 41 | L | A | -1.8050 | |
| 42 | K | A | -2.8584 | |
| 43 | Q | A | -1.9732 | |
| 44 | F | A | -1.2527 | |
| 45 | N | A | -1.9422 | |
| 46 | N | A | -1.5694 | |
| 47 | P | A | -1.0326 | |
| 48 | N | A | -1.3567 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | -0.5723 | |
| 51 | F | A | -0.5131 | mutated: YF51A |
| 52 | E | A | -0.8312 | |
| 53 | I | A | -1.1221 | |
| 54 | V | A | 0.0000 | |
| 55 | P | A | -1.8243 | |
| 56 | D | A | -1.5566 | |
| 57 | I | A | -1.0972 | |
| 58 | A | A | -1.1949 | |
| 59 | D | A | -1.6349 | |
| 60 | L | A | -0.2721 | |
| 61 | D | A | -1.9962 | |
| 62 | A | A | -1.5135 | |
| 63 | F | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | D | A | -2.6511 | |
| 66 | I | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | K | A | -3.2874 | |
| 69 | K | A | -3.2209 | |
| 70 | H | A | -2.3230 | |
| 71 | G | A | -2.3629 | |
| 72 | K | A | -2.7443 | |
| 73 | E | A | -1.9534 | |
| 74 | I | A | 0.0000 | |
| 75 | K | A | -1.2622 | |
| 76 | Y | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | H | A | 0.0000 | |
| 80 | T | A | -0.0529 | |
| 81 | A | A | -0.0856 | |
| 82 | S | A | 0.0180 | |
| 83 | P | A | -0.0571 | |
| 84 | F | A | -0.0598 | |
| 85 | N | A | -1.3588 | |
| 86 | F | A | -0.8888 | |
| 87 | N | A | -1.8252 | |
| 88 | A | A | -2.1581 | |
| 89 | K | A | -2.7679 | |
| 90 | D | A | -2.4869 | |
| 91 | L | A | -1.9670 | |
| 92 | E | A | -2.4505 | |
| 93 | K | A | -2.7870 | |
| 94 | D | A | -2.3452 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | L | A | -0.4116 | |
| 98 | P | A | -0.8122 | |
| 99 | A | A | 0.0000 | |
| 100 | I | A | 0.1592 | |
| 101 | N | A | -0.5491 | |
| 102 | G | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | K | A | -1.5344 | |
| 105 | N | A | 0.0000 | |
| 106 | M | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | E | A | -2.0216 | |
| 109 | A | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -2.3119 | |
| 112 | K | A | -1.8883 | |
| 113 | Y | A | -1.6454 | |
| 114 | A | A | 0.0000 | |
| 115 | P | A | -2.6225 | |
| 116 | D | A | -3.0997 | |
| 117 | T | A | -2.0458 | |
| 118 | V | A | 0.0000 | |
| 119 | E | A | -2.0120 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | M | A | 0.0000 | |
| 132 | D | A | -0.7746 | |
| 133 | P | A | -0.8317 | |
| 134 | H | A | -1.6264 | |
| 135 | R | A | -1.6835 | |
| 136 | M | A | -1.2775 | mutated: QM136A |
| 137 | N | A | -1.7489 | |
| 138 | D | A | -1.4952 | |
| 139 | P | A | -0.8746 | |
| 140 | T | A | -0.6189 | |
| 141 | L | A | -0.5323 | |
| 142 | T | A | -0.7667 | |
| 143 | L | A | 0.0000 | |
| 144 | D | A | -2.3632 | |
| 145 | E | A | -2.0669 | |
| 146 | E | A | -2.0963 | |
| 147 | T | A | -1.0929 | |
| 148 | W | A | -0.3892 | |
| 149 | N | A | 0.0000 | |
| 150 | P | A | -0.2387 | |
| 151 | V | A | -0.2581 | |
| 152 | T | A | -0.4724 | |
| 153 | W | A | -0.1685 | |
| 154 | E | A | -2.0894 | |
| 155 | N | A | -2.3288 | |
| 156 | A | A | 0.0000 | |
| 157 | Y | A | -1.2622 | |
| 158 | E | A | -2.4338 | |
| 159 | N | A | -1.2839 | |
| 160 | V | A | -0.5968 | |
| 161 | F | A | 0.4255 | |
| 162 | T | A | -0.4166 | |
| 163 | A | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | E | A | 0.0000 | |
| 173 | K | A | -1.0045 | |
| 174 | A | A | -1.1889 | |
| 175 | A | A | 0.0000 | |
| 176 | W | A | -1.6710 | |
| 177 | K | A | -2.7593 | |
| 178 | F | A | -2.3539 | |
| 179 | V | A | -3.1169 | |
| 180 | K | A | -3.7646 | |
| 181 | E | A | -4.0099 | |
| 182 | N | A | -3.9332 | |
| 183 | K | A | -4.5716 | |
| 184 | D | A | -4.3230 | |
| 185 | E | A | -4.3702 | |
| 186 | V | A | 0.0000 | |
| 187 | K | A | -3.8433 | |
| 188 | F | A | 0.0000 | |
| 189 | K | A | -1.8959 | |
| 190 | L | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | V | A | 0.0000 | mutated: TV192A |
| 193 | I | A | 0.0000 | |
| 194 | N | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | S | A | -0.0861 | |
| 197 | W | A | 0.0000 | mutated: FW197A |
| 198 | V | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | P | A | -0.5850 | |
| 202 | Q | A | -0.8931 | |
| 203 | A | A | -0.7323 | |
| 204 | F | A | -1.2869 | |
| 205 | D | A | -3.2043 | |
| 206 | E | A | -3.0591 | |
| 207 | D | A | -2.3063 | |
| 208 | V | A | 0.0000 | |
| 209 | T | A | -2.3792 | |
| 210 | K | A | -2.7719 | |
| 211 | K | A | -2.8424 | |
| 212 | L | A | -1.5636 | |
| 213 | N | A | -0.8910 | |
| 214 | E | A | -0.8887 | |
| 215 | T | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | I | A | -0.5411 | |
| 219 | I | A | 0.0000 | |
| 220 | N | A | 0.0000 | |
| 221 | K | A | -1.9127 | |
| 222 | L | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | H | A | -1.4332 | |
| 225 | A | A | -1.4130 | |
| 226 | P | A | -1.6155 | |
| 227 | P | A | -2.0660 | |
| 228 | D | A | -2.4478 | |
| 229 | T | A | -2.0033 | |
| 230 | K | A | -2.6049 | |
| 231 | V | A | -2.0332 | |
| 232 | D | A | -2.3927 | |
| 233 | K | A | -2.2711 | |
| 234 | T | A | -0.9805 | |
| 235 | Y | A | 0.0000 | |
| 236 | F | A | -0.0318 | |
| 237 | G | A | 0.0000 | |
| 238 | Q | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | D | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | R | A | -0.6924 | |
| 244 | D | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | K | A | -1.0803 | |
| 248 | A | A | 0.0000 | |
| 249 | H | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | L | A | -0.4383 | |
| 252 | A | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | Q | A | -0.6960 | |
| 255 | K | A | -0.8056 | |
| 256 | P | A | -1.1322 | mutated: DP256A |
| 257 | E | A | -1.3900 | |
| 258 | L | A | 0.0000 | |
| 259 | I | A | -0.9715 | |
| 260 | N | A | -1.5110 | |
| 261 | Q | A | -1.3115 | |
| 262 | R | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | C | A | 0.0000 | |
| 267 | N | A | -0.6264 | |
| 268 | G | A | -0.1943 | |
| 269 | A | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | Q | A | -0.9562 | |
| 273 | Q | A | 0.0000 | |
| 274 | D | A | -1.5513 | |
| 275 | I | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | N | A | -2.0917 | |
| 278 | V | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | E | A | -3.0475 | |
| 282 | K | A | -2.3188 | |
| 283 | F | A | 0.0000 | |
| 284 | P | A | -2.3919 | |
| 285 | E | A | -2.7488 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -3.4315 | |
| 288 | G | A | -2.5311 | |
| 289 | Q | A | -2.1395 | |
| 290 | F | A | 0.0000 | |
| 291 | P | A | 0.0000 | |
| 292 | P | A | -2.3864 | |
| 293 | E | A | -3.4399 | |
| 294 | D | A | -2.8302 | |
| 295 | K | A | -3.5002 | |
| 296 | D | A | -2.9386 | |
| 297 | T | A | 0.0000 | |
| 298 | D | A | -1.6854 | |
| 299 | L | A | -1.3063 | |
| 300 | N | A | -2.7037 | |
| 301 | K | A | -2.6962 | |
| 302 | G | A | -1.3050 | |
| 303 | V | A | -0.5583 | |
| 304 | T | A | -0.5416 | |
| 305 | G | A | 0.0000 | |
| 306 | C | A | 0.0000 | |
| 307 | K | A | -1.2788 | |
| 308 | I | A | -1.1726 | |
| 309 | D | A | -2.4896 | |
| 310 | N | A | 0.0000 | |
| 311 | E | A | -3.7479 | |
| 312 | K | A | -3.5965 | |
| 313 | T | A | 0.0000 | |
| 314 | K | A | -3.2773 | |
| 315 | K | A | -3.3356 | |
| 316 | L | A | -1.8874 | |
| 317 | L | A | 0.0000 | |
| 318 | G | A | -1.6656 | |
| 319 | F | A | -1.3091 | |
| 320 | E | A | -2.1137 | |
| 321 | F | A | -0.9715 | |
| 322 | T | A | -0.8395 | |
| 323 | P | A | -0.9078 | |
| 324 | F | A | -0.5025 | |
| 325 | H | A | -1.3022 | |
| 326 | K | A | -1.5286 | |
| 327 | T | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | Y | A | -1.0213 | mutated: HY329A |
| 330 | D | A | -0.8989 | |
| 331 | T | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | K | A | -1.3903 | |
| 334 | Q | A | -1.9774 | |
| 335 | I | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | K | A | -2.9232 | |
| 338 | K | A | -3.5227 | |
| 339 | E | A | -2.4392 | |
| 340 | G | A | -1.8513 | |
| 341 | R | A | -1.3992 | |
| 342 | V | A | -0.2650 |
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