| Chain sequence(s) |
A: MRSGSHHHHHHRSDITSLYKKAGSAAAPFTMENLYFQSYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP |
| Distance of aggregation | 10 Å |
| Dynamic mode | No |
| Mutated residues | MA72R, VA208R, TA258S |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.685505 kcal/mol
Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive. |
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 | -0.0832 | |
| 2 | R | A | -1.5366 | |
| 3 | S | A | -0.6503 | |
| 4 | G | A | -0.5207 | |
| 5 | S | A | -0.3372 | |
| 6 | H | A | 0.0000 | |
| 7 | H | A | -0.5494 | |
| 8 | H | A | -0.7122 | |
| 9 | H | A | -1.1304 | |
| 10 | H | A | -1.8419 | |
| 11 | H | A | -1.6278 | |
| 12 | R | A | -1.7657 | |
| 13 | S | A | 0.0000 | |
| 14 | D | A | 0.0000 | |
| 15 | I | A | 0.8741 | |
| 16 | T | A | 0.0586 | |
| 17 | S | A | 0.1158 | |
| 18 | L | A | 0.2272 | |
| 19 | Y | A | 0.0000 | |
| 20 | K | A | -1.5254 | |
| 21 | K | A | -2.2763 | |
| 22 | A | A | -1.2246 | |
| 23 | G | A | -1.3128 | |
| 24 | S | A | -0.8783 | |
| 25 | A | A | 0.0000 | |
| 26 | A | A | 0.0121 | |
| 27 | A | A | 0.4178 | |
| 28 | P | A | -0.0139 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | -0.6209 | |
| 31 | M | A | -0.5233 | |
| 32 | E | A | -1.9851 | |
| 33 | N | A | -1.3345 | |
| 34 | L | A | 0.1384 | |
| 35 | Y | A | 0.8278 | |
| 36 | F | A | 0.1356 | |
| 37 | Q | A | -0.9128 | |
| 38 | S | A | -1.0304 | |
| 39 | Y | A | 0.0000 | |
| 40 | Q | A | 0.0000 | |
| 41 | G | A | -0.6842 | |
| 42 | N | A | -0.9181 | |
| 43 | S | A | 0.0000 | |
| 44 | D | A | -0.3436 | |
| 45 | C | A | 0.3601 | |
| 46 | Y | A | 1.0782 | |
| 47 | F | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | N | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 52 | A | A | -0.9921 | |
| 53 | Y | A | 0.0000 | |
| 54 | R | A | -0.8042 | |
| 55 | G | A | -0.6622 | |
| 56 | T | A | -0.3871 | |
| 57 | H | A | -0.2309 | |
| 58 | S | A | -0.1047 | |
| 59 | L | A | -0.2612 | |
| 60 | T | A | 0.0000 | |
| 61 | E | A | -2.2301 | |
| 62 | S | A | -1.3951 | |
| 63 | G | A | -1.1678 | |
| 64 | A | A | -0.8160 | |
| 65 | S | A | -0.2698 | |
| 66 | C | A | 0.0000 | |
| 67 | L | A | -0.0111 | |
| 68 | P | A | -0.8679 | |
| 69 | W | A | 0.0000 | |
| 70 | N | A | -1.9495 | |
| 71 | S | A | -1.0786 | |
| 72 | R | A | -1.3799 | mutated: MA72R |
| 73 | I | A | 0.5757 | |
| 74 | L | A | 0.0000 | |
| 75 | I | A | -0.4844 | |
| 76 | G | A | -0.7249 | |
| 77 | K | A | -1.0201 | |
| 78 | V | A | 0.3370 | |
| 79 | Y | A | 0.9143 | |
| 80 | T | A | 0.3823 | |
| 81 | A | A | -0.0231 | |
| 82 | Q | A | -0.3312 | |
| 83 | N | A | -0.4877 | |
| 84 | P | A | -0.5122 | |
| 85 | S | A | -0.9417 | |
| 86 | A | A | 0.0000 | |
| 87 | Q | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | G | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | G | A | -1.5609 | |
| 93 | K | A | -2.3765 | |
| 94 | H | A | -1.3857 | |
| 95 | N | A | 0.0000 | |
| 96 | Y | A | -0.2160 | |
| 97 | C | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | P | A | -1.1537 | |
| 101 | D | A | -2.0428 | |
| 102 | G | A | -1.6743 | |
| 103 | D | A | -1.3117 | |
| 104 | A | A | -0.8229 | |
| 105 | K | A | -1.0039 | |
| 106 | P | A | 0.0000 | |
| 107 | W | A | -0.2376 | |
| 108 | C | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | -1.2563 | |
| 112 | K | A | -2.7801 | |
| 113 | N | A | -3.1807 | |
| 114 | R | A | -3.5320 | |
| 115 | R | A | -3.0842 | |
| 116 | L | A | -1.2163 | |
| 117 | T | A | -0.7366 | |
| 118 | W | A | 0.0179 | |
| 119 | E | A | -0.8736 | |
| 120 | Y | A | -0.4205 | |
| 121 | C | A | 0.0000 | |
| 122 | D | A | -1.4907 | |
| 123 | V | A | 0.0000 | |
| 124 | P | A | -0.2602 | |
| 125 | S | A | -0.1200 | |
| 126 | C | A | 0.0649 | |
| 127 | S | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | C | A | 0.0000 | |
| 130 | G | A | -0.0958 | |
| 131 | L | A | 0.2545 | |
| 132 | R | A | 0.0000 | |
| 133 | Q | A | -0.6064 | |
| 134 | Y | A | 0.4606 | |
| 135 | S | A | -0.1444 | |
| 136 | Q | A | -0.8944 | |
| 137 | P | A | -1.4982 | |
| 138 | Q | A | -2.0358 | |
| 139 | F | A | -1.0276 | |
| 140 | R | A | -1.1950 | |
| 141 | I | A | 0.9554 | |
| 142 | K | A | 0.4712 | |
| 143 | G | A | -0.1313 | |
| 144 | G | A | 0.2122 | |
| 145 | L | A | 1.6336 | |
| 146 | F | A | 0.8852 | |
| 147 | A | A | -0.2510 | |
| 148 | D | A | -1.3100 | |
| 149 | I | A | 0.0000 | |
| 150 | A | A | -0.4185 | |
| 151 | S | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | W | A | 0.0000 | |
| 155 | Q | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | F | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | K | A | -2.4956 | |
| 162 | H | A | -2.7610 | |
| 163 | R | A | -3.3733 | |
| 164 | R | A | -3.6425 | |
| 165 | S | A | -2.0527 | |
| 166 | P | A | -1.6032 | |
| 167 | G | A | -2.1851 | |
| 168 | E | A | -2.6992 | |
| 169 | R | A | -2.3213 | |
| 170 | F | A | -0.8230 | |
| 171 | L | A | -0.1003 | |
| 172 | C | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | S | A | -1.1356 | |
| 179 | S | A | -1.5593 | |
| 180 | C | A | 0.0000 | |
| 181 | W | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | H | A | -1.4035 | |
| 188 | C | A | -0.5005 | |
| 189 | F | A | 0.0000 | |
| 190 | Q | A | 0.0000 | |
| 191 | E | A | -2.6268 | |
| 192 | R | A | -2.6073 | |
| 193 | F | A | -1.6836 | |
| 194 | P | A | -1.4490 | |
| 195 | P | A | -1.7932 | |
| 196 | H | A | -1.9055 | |
| 197 | H | A | -2.0254 | |
| 198 | L | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | L | A | -0.3222 | |
| 203 | G | A | 0.0000 | |
| 204 | R | A | -0.5516 | |
| 205 | T | A | -0.2133 | |
| 206 | Y | A | 0.1905 | |
| 207 | R | A | -0.9245 | |
| 208 | R | A | -1.6109 | mutated: VA208R |
| 209 | V | A | -0.2130 | |
| 210 | P | A | -0.7468 | |
| 211 | G | A | -1.6268 | |
| 212 | E | A | -2.5688 | |
| 213 | E | A | -1.9252 | |
| 214 | E | A | -2.6904 | |
| 215 | Q | A | -2.5601 | |
| 216 | K | A | -2.3233 | |
| 217 | F | A | 0.0000 | |
| 218 | E | A | -3.2835 | |
| 219 | V | A | 0.0000 | |
| 220 | E | A | -2.4802 | |
| 221 | K | A | -1.8845 | |
| 222 | Y | A | -0.5029 | |
| 223 | I | A | -0.4045 | |
| 224 | V | A | -0.6665 | |
| 225 | H | A | -1.4536 | |
| 226 | K | A | -2.6193 | |
| 227 | E | A | -2.7387 | |
| 228 | F | A | -2.1422 | |
| 229 | D | A | -2.5411 | |
| 230 | D | A | -3.1156 | |
| 231 | D | A | -2.9964 | |
| 232 | T | A | -1.4601 | |
| 233 | Y | A | 0.0000 | |
| 234 | D | A | -1.9101 | |
| 235 | N | A | -1.7813 | |
| 236 | D | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | K | A | -2.9938 | |
| 244 | S | A | -2.4268 | |
| 245 | D | A | -3.4803 | |
| 246 | S | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | R | A | -3.4376 | |
| 249 | C | A | -2.3573 | |
| 250 | A | A | -1.8551 | |
| 251 | Q | A | -2.8382 | |
| 252 | E | A | -3.0593 | |
| 253 | S | A | -1.9829 | |
| 254 | S | A | -1.1893 | |
| 255 | V | A | 0.3508 | |
| 256 | V | A | 0.0000 | |
| 257 | R | A | -1.2297 | |
| 258 | S | A | -0.8932 | mutated: TA258S |
| 259 | V | A | 0.0000 | |
| 260 | C | A | 0.3072 | |
| 261 | L | A | 0.1697 | |
| 262 | P | A | 0.0000 | |
| 263 | P | A | -0.6564 | |
| 264 | A | A | -1.1907 | |
| 265 | D | A | -2.1339 | |
| 266 | L | A | -1.0342 | |
| 267 | Q | A | -1.4732 | |
| 268 | L | A | 0.0000 | |
| 269 | P | A | -1.6967 | |
| 270 | D | A | -2.1981 | |
| 271 | W | A | -0.9835 | |
| 272 | T | A | -0.7672 | |
| 273 | E | A | -1.0736 | |
| 274 | C | A | 0.0000 | |
| 275 | E | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | K | A | -0.4669 | |
| 282 | H | A | -0.4667 | |
| 283 | E | A | -1.5953 | |
| 284 | A | A | -0.0695 | |
| 285 | L | A | 1.1377 | |
| 286 | S | A | 0.4978 | |
| 287 | P | A | 0.9238 | |
| 288 | F | A | 1.7553 | |
| 289 | Y | A | 0.6771 | |
| 290 | S | A | -0.0201 | |
| 291 | E | A | 0.0000 | |
| 292 | R | A | -0.5287 | |
| 293 | L | A | 0.0000 | |
| 294 | K | A | 0.0570 | |
| 295 | E | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | H | A | -0.1672 | |
| 298 | V | A | 0.0000 | |
| 299 | R | A | -0.7789 | |
| 300 | L | A | 0.0000 | |
| 301 | Y | A | 0.0000 | |
| 302 | P | A | -1.0289 | |
| 303 | S | A | -1.2110 | |
| 304 | S | A | -1.2763 | |
| 305 | R | A | -2.4158 | |
| 306 | C | A | 0.0000 | |
| 307 | T | A | -0.4402 | |
| 308 | S | A | -0.3428 | |
| 309 | Q | A | 0.0000 | |
| 310 | H | A | 0.0000 | |
| 311 | L | A | 0.6092 | |
| 312 | L | A | 1.5029 | |
| 313 | N | A | -0.0644 | |
| 314 | R | A | -0.4686 | |
| 315 | T | A | 0.3727 | |
| 316 | V | A | 1.5682 | |
| 317 | T | A | 0.0839 | |
| 318 | D | A | -1.4678 | |
| 319 | N | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | L | A | -0.1333 | |
| 322 | C | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | D | A | -2.0232 | |
| 326 | T | A | -1.2324 | |
| 327 | R | A | 0.0000 | |
| 328 | S | A | -1.2737 | |
| 329 | G | A | -1.9033 | |
| 330 | G | A | -1.7877 | |
| 331 | P | A | -1.4906 | |
| 332 | Q | A | -1.8711 | |
| 333 | A | A | -0.9772 | |
| 334 | N | A | -0.5573 | |
| 335 | L | A | 0.6956 | |
| 336 | H | A | -0.0441 | |
| 337 | D | A | -0.2390 | |
| 338 | A | A | -0.1343 | |
| 339 | C | A | -0.6042 | |
| 340 | Q | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | D | A | 0.0000 | |
| 343 | S | A | -0.0900 | |
| 344 | G | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | P | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | C | A | 0.0000 | |
| 350 | L | A | -1.2760 | |
| 351 | N | A | 0.0000 | |
| 352 | D | A | -2.5385 | |
| 353 | G | A | -1.8015 | |
| 354 | R | A | -1.4458 | |
| 355 | M | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | V | A | -0.0045 | |
| 359 | G | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | S | A | -0.3167 | |
| 363 | W | A | -0.1757 | |
| 364 | G | A | -0.3200 | |
| 365 | L | A | 0.3651 | |
| 366 | G | A | -0.3555 | |
| 367 | C | A | 0.0000 | |
| 368 | G | A | -1.2181 | |
| 369 | Q | A | -1.7692 | |
| 370 | K | A | -1.2473 | |
| 371 | D | A | -1.7849 | |
| 372 | V | A | 0.0000 | |
| 373 | P | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | Y | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | K | A | -0.4020 | |
| 379 | V | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | D | A | -1.5078 | |
| 385 | W | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | R | A | -2.9018 | |
| 388 | D | A | -3.1318 | |
| 389 | N | A | -2.0973 | |
| 390 | M | A | 0.0000 | |
| 391 | R | A | -2.9617 |
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