| Chain sequence(s) |
A: MPLCLKINKKHGEQTRRILIENNLLNKDYKITSEGNYLYLPIKDVDEDILKSILNIEFELVDKELEEKKIIKKPSFREIISKKYRKEIDEGLISLSYDVVGDLVILQISDEVDEKIRKEIGELAYKLIPCKGVFRRKSEVKGEFRVRELEHLAGENRTLTIHKENGYRLWVDIAKVYFSPRLGGARARIMKKVSLNDVVVDMFAGVGPFSIACKNAKKIYAIDINPHAIELLKKNIKLNKLEHKIIPILSDVREVDVKGNRVIMNLPKFAHKFIDKALDIVEEGGVIHYYTIGKDFDKAIKLFEKKCDCEVLEKRIVKSYAPREYILALDFKINKK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | AE185A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.18118 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 (00:04:46)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:07)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:09:25)
[INFO] Main: Simulation completed successfully. (00:09:27)
|
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 | -0.4402 | |
| 2 | P | A | -1.1963 | |
| 3 | L | A | -1.3192 | |
| 4 | C | A | 0.0000 | |
| 5 | L | A | 0.0000 | |
| 6 | K | A | -1.0463 | |
| 7 | I | A | 0.0000 | |
| 8 | N | A | -1.9903 | |
| 9 | K | A | -2.9113 | |
| 10 | K | A | -3.1190 | |
| 11 | H | A | -2.6467 | |
| 12 | G | A | 0.0000 | |
| 13 | E | A | -3.7162 | |
| 14 | Q | A | -3.2164 | |
| 15 | T | A | 0.0000 | |
| 16 | R | A | -2.8371 | |
| 17 | R | A | -3.4758 | |
| 18 | I | A | -2.0167 | |
| 19 | L | A | 0.0000 | |
| 20 | I | A | -1.8932 | |
| 21 | E | A | -2.7919 | |
| 22 | N | A | -2.1521 | |
| 23 | N | A | -2.3915 | |
| 24 | L | A | -1.6493 | |
| 25 | L | A | -1.8961 | |
| 26 | N | A | -1.9212 | |
| 27 | K | A | -2.9304 | |
| 28 | D | A | -3.2216 | |
| 29 | Y | A | -2.5916 | |
| 30 | K | A | -2.3788 | |
| 31 | I | A | -0.5883 | |
| 32 | T | A | -0.5661 | |
| 33 | S | A | -1.2815 | |
| 34 | E | A | -2.3389 | |
| 35 | G | A | -1.9334 | |
| 36 | N | A | -2.2808 | |
| 37 | Y | A | -1.3166 | |
| 38 | L | A | -1.2101 | |
| 39 | Y | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | P | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | K | A | -2.0050 | |
| 44 | D | A | -2.1267 | |
| 45 | V | A | -1.5573 | |
| 46 | D | A | -2.8662 | |
| 47 | E | A | -3.1626 | |
| 48 | D | A | -2.8323 | |
| 49 | I | A | -0.9255 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -3.1112 | |
| 52 | S | A | -1.1468 | |
| 53 | I | A | -0.2408 | |
| 54 | L | A | -0.7617 | |
| 55 | N | A | -1.7334 | |
| 56 | I | A | -1.4045 | |
| 57 | E | A | -2.5735 | |
| 58 | F | A | -1.9014 | |
| 59 | E | A | -2.4601 | |
| 60 | L | A | -1.5828 | |
| 61 | V | A | -1.3861 | |
| 62 | D | A | -2.3436 | |
| 63 | K | A | -2.4290 | |
| 64 | E | A | -2.3982 | |
| 65 | L | A | -1.3343 | |
| 66 | E | A | -2.8343 | |
| 67 | E | A | -3.3623 | |
| 68 | K | A | -2.8727 | |
| 69 | K | A | -1.7464 | |
| 70 | I | A | 0.7321 | |
| 71 | I | A | 1.1620 | |
| 72 | K | A | -1.2799 | |
| 73 | K | A | -2.0208 | |
| 74 | P | A | -1.8766 | |
| 75 | S | A | -1.9799 | |
| 76 | F | A | 0.0000 | |
| 77 | R | A | -2.7690 | |
| 78 | E | A | -3.1102 | |
| 79 | I | A | -2.2445 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -3.2881 | |
| 82 | K | A | -3.7700 | |
| 83 | K | A | -3.4000 | |
| 84 | Y | A | 0.0000 | |
| 85 | R | A | -4.4137 | |
| 86 | K | A | -4.2351 | |
| 87 | E | A | -3.3284 | |
| 88 | I | A | -2.9726 | |
| 89 | D | A | -3.8004 | |
| 90 | E | A | -3.5412 | |
| 91 | G | A | -2.1340 | |
| 92 | L | A | -1.8236 | |
| 93 | I | A | 0.0000 | |
| 94 | S | A | -0.3613 | |
| 95 | L | A | -0.6981 | |
| 96 | S | A | -0.3932 | |
| 97 | Y | A | -0.1233 | |
| 98 | D | A | -0.3611 | |
| 99 | V | A | -0.0217 | |
| 100 | V | A | 0.0000 | |
| 101 | G | A | -0.6838 | |
| 102 | D | A | -0.7660 | |
| 103 | L | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | Q | A | -1.2358 | |
| 108 | I | A | 0.0000 | |
| 109 | S | A | -2.3390 | |
| 110 | D | A | -3.4756 | |
| 111 | E | A | -3.2994 | |
| 112 | V | A | 0.0000 | |
| 113 | D | A | -3.7482 | |
| 114 | E | A | -4.1308 | |
| 115 | K | A | -3.5255 | |
| 116 | I | A | -2.5568 | |
| 117 | R | A | 0.0000 | |
| 118 | K | A | -3.4314 | |
| 119 | E | A | -3.4358 | |
| 120 | I | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | E | A | -2.9177 | |
| 123 | L | A | -1.7101 | |
| 124 | A | A | 0.0000 | |
| 125 | Y | A | -1.5064 | |
| 126 | K | A | -2.1651 | |
| 127 | L | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | P | A | -0.5826 | |
| 130 | C | A | -0.8332 | |
| 131 | K | A | -1.8797 | |
| 132 | G | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | R | A | 0.0000 | |
| 136 | R | A | -2.5428 | |
| 137 | K | A | -3.4118 | |
| 138 | S | A | -2.5641 | |
| 139 | E | A | -2.7365 | |
| 140 | V | A | -1.6549 | |
| 141 | K | A | -2.0055 | |
| 142 | G | A | -1.6681 | |
| 143 | E | A | -1.4518 | |
| 144 | F | A | -0.3397 | |
| 145 | R | A | -0.9325 | |
| 146 | V | A | -1.0610 | |
| 147 | R | A | -2.0564 | |
| 148 | E | A | -2.9070 | |
| 149 | L | A | -1.9610 | |
| 150 | E | A | -1.6860 | |
| 151 | H | A | -2.2308 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | -2.1766 | |
| 154 | G | A | -2.2295 | |
| 155 | E | A | -2.7112 | |
| 156 | N | A | -3.0771 | |
| 157 | R | A | -2.8430 | |
| 158 | T | A | -1.3306 | |
| 159 | L | A | -0.1145 | |
| 160 | T | A | 0.0000 | |
| 161 | I | A | -0.3783 | |
| 162 | H | A | -1.1066 | |
| 163 | K | A | -2.6158 | |
| 164 | E | A | -1.8636 | |
| 165 | N | A | -1.6085 | |
| 166 | G | A | -1.4794 | |
| 167 | Y | A | 0.0000 | |
| 168 | R | A | -2.1615 | |
| 169 | L | A | 0.0000 | |
| 170 | W | A | -0.4407 | |
| 171 | V | A | 0.0000 | |
| 172 | D | A | -0.3716 | |
| 173 | I | A | -0.3307 | |
| 174 | A | A | -0.9578 | |
| 175 | K | A | -1.4254 | |
| 176 | V | A | 0.0000 | |
| 177 | Y | A | 0.3047 | |
| 178 | F | A | -0.0161 | |
| 179 | S | A | -0.3957 | |
| 180 | P | A | -1.1396 | |
| 181 | R | A | -1.9173 | |
| 182 | L | A | -0.9412 | |
| 183 | G | A | -1.1474 | |
| 184 | G | A | -0.9191 | |
| 185 | E | A | 0.0000 | mutated: AE185A |
| 186 | R | A | 0.0000 | |
| 187 | A | A | -0.8646 | |
| 188 | R | A | -0.9461 | |
| 189 | I | A | 0.0000 | |
| 190 | M | A | -1.4450 | |
| 191 | K | A | -2.1592 | |
| 192 | K | A | -1.7309 | |
| 193 | V | A | 0.0000 | |
| 194 | S | A | -0.7545 | |
| 195 | L | A | 0.0215 | |
| 196 | N | A | -1.2869 | |
| 197 | D | A | -1.1133 | |
| 198 | V | A | -1.2211 | |
| 199 | V | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | M | A | 0.0000 | |
| 203 | F | A | 0.3327 | |
| 204 | A | A | 0.0000 | |
| 205 | G | A | 0.0727 | |
| 206 | V | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | P | A | -0.2192 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | K | A | -1.9622 | |
| 215 | N | A | -1.6346 | |
| 216 | A | A | 0.0000 | |
| 217 | K | A | -2.4071 | |
| 218 | K | A | -1.8883 | |
| 219 | I | A | 0.0000 | |
| 220 | Y | A | 0.2195 | |
| 221 | A | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | D | A | 0.9416 | |
| 224 | I | A | 1.4367 | |
| 225 | N | A | 0.0000 | |
| 226 | P | A | -0.2837 | |
| 227 | H | A | -1.3208 | |
| 228 | A | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -2.5145 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | K | A | -2.4673 | |
| 234 | K | A | -2.5480 | |
| 235 | N | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | K | A | -3.0629 | |
| 238 | L | A | -1.7408 | |
| 239 | N | A | -2.1249 | |
| 240 | K | A | -2.9366 | |
| 241 | L | A | -2.6597 | |
| 242 | E | A | -3.3029 | |
| 243 | H | A | -2.5518 | |
| 244 | K | A | -2.2608 | |
| 245 | I | A | 0.0000 | |
| 246 | I | A | 0.0236 | |
| 247 | P | A | 0.1866 | |
| 248 | I | A | 1.2696 | |
| 249 | L | A | 1.5074 | |
| 250 | S | A | 0.2935 | |
| 251 | D | A | -1.0777 | |
| 252 | V | A | 0.0000 | |
| 253 | R | A | -2.8064 | |
| 254 | E | A | -2.9622 | |
| 255 | V | A | -2.0225 | |
| 256 | D | A | -2.7392 | |
| 257 | V | A | -1.7923 | |
| 258 | K | A | -2.1497 | |
| 259 | G | A | 0.0000 | |
| 260 | N | A | -1.5422 | |
| 261 | R | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | M | A | 0.0000 | |
| 265 | N | A | -0.1590 | |
| 266 | L | A | 0.0000 | |
| 267 | P | A | -0.3548 | |
| 268 | K | A | -1.2368 | |
| 269 | F | A | -0.6814 | |
| 270 | A | A | 0.0000 | |
| 271 | H | A | -1.4749 | |
| 272 | K | A | -2.1201 | |
| 273 | F | A | -1.5857 | |
| 274 | I | A | 0.0000 | |
| 275 | D | A | -2.9911 | |
| 276 | K | A | -2.4720 | |
| 277 | A | A | 0.0000 | |
| 278 | L | A | -2.6435 | |
| 279 | D | A | -3.4060 | |
| 280 | I | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | E | A | -3.3110 | |
| 283 | E | A | -3.8009 | |
| 284 | G | A | -2.4139 | |
| 285 | G | A | 0.0000 | |
| 286 | V | A | -0.6917 | |
| 287 | I | A | 0.0000 | |
| 288 | H | A | 0.0000 | |
| 289 | Y | A | 0.0000 | |
| 290 | Y | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | I | A | -0.4024 | |
| 293 | G | A | 0.0000 | |
| 294 | K | A | -2.9781 | |
| 295 | D | A | -3.0238 | |
| 296 | F | A | -2.4347 | |
| 297 | D | A | -3.1169 | |
| 298 | K | A | -2.6459 | |
| 299 | A | A | 0.0000 | |
| 300 | I | A | -2.2534 | |
| 301 | K | A | -3.1215 | |
| 302 | L | A | -2.2847 | |
| 303 | F | A | 0.0000 | |
| 304 | E | A | -4.1411 | |
| 305 | K | A | -3.8705 | |
| 306 | K | A | -4.1459 | |
| 307 | C | A | 0.0000 | |
| 308 | D | A | -4.2188 | |
| 309 | C | A | -3.2501 | |
| 310 | E | A | -2.2441 | |
| 311 | V | A | -0.8215 | |
| 312 | L | A | -0.2858 | |
| 313 | E | A | -2.2164 | |
| 314 | K | A | -2.0237 | |
| 315 | R | A | -1.7041 | |
| 316 | I | A | 0.4206 | |
| 317 | V | A | 0.1923 | |
| 318 | K | A | -0.3135 | |
| 319 | S | A | -0.3710 | |
| 320 | Y | A | -0.1023 | |
| 321 | A | A | -0.5244 | |
| 322 | P | A | -1.1418 | |
| 323 | R | A | -2.3907 | |
| 324 | E | A | -1.8941 | |
| 325 | Y | A | -0.3740 | |
| 326 | I | A | 0.0448 | |
| 327 | L | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | D | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | K | A | -1.7809 | |
| 333 | I | A | 0.0000 | |
| 334 | N | A | -3.4186 | |
| 335 | K | A | -3.9788 | |
| 336 | K | A | -4.0767 |
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