| Chain sequence(s) |
A: HKLLVTPPKALLKPLSIPNQLLLGPGPSNLPPRIMAAGGLQMIGSMSKDMYQIMDEIKEGIQYVFQTRNPLTLVISGSGHCALEAALVNVLEPGDSFLVGANGIWGQRAVDIGERIGVHPMTKDPGGHYTLQEVEEGLAQHKPVLLFLTHGESSTGVLQPLDGFGELCHRYKCLLLVDSVASLGGTPLYMDRQGIDILYSGSQKALNAPPGTSLISFSDKAKKKMYSRKTKPFSFYLDIKWLANFWGCDDQPRMYHHTIPVISLYSLRESLALIAEQGLENSWRQHREAAAYLHGRLQALGLQLFVKDPALRLPTVTTVAVPAGYDWRDIVSYVIDHFDIEIMGGLGPSTGKVLRIGLLGCNATRENVDRVTEALRAALQHCPKK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | PR11A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.733099 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 (00:00:00)
[INFO] FoldX: Building mutant model (00:02:33)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:41)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:19)
[INFO] Main: Simulation completed successfully. (00:05:21)
|
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 | |
| 4 | H | A | -1.2787 | |
| 5 | K | A | -0.7940 | |
| 6 | L | A | 1.7774 | |
| 7 | L | A | 2.5781 | |
| 8 | V | A | 2.3845 | |
| 9 | T | A | 0.6134 | |
| 10 | P | A | -0.6471 | |
| 11 | R | A | -1.8613 | mutated: PR11A |
| 12 | K | A | -1.9654 | |
| 13 | A | A | -0.4995 | |
| 14 | L | A | 0.7765 | |
| 15 | L | A | 0.5891 | |
| 16 | K | A | -0.7295 | |
| 17 | P | A | 0.4993 | |
| 18 | L | A | 1.8349 | |
| 19 | S | A | 1.0365 | |
| 20 | I | A | 1.7568 | |
| 21 | P | A | -0.3020 | |
| 22 | N | A | -1.4316 | |
| 23 | Q | A | -1.2525 | |
| 24 | L | A | -0.8581 | |
| 25 | L | A | -0.4007 | |
| 26 | L | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | G | A | -0.3144 | |
| 30 | P | A | -0.2998 | |
| 31 | S | A | 0.0000 | |
| 32 | N | A | 0.0398 | |
| 33 | L | A | 0.4690 | |
| 34 | P | A | 0.1700 | |
| 35 | P | A | -0.1885 | |
| 36 | R | A | -0.4541 | |
| 37 | I | A | 0.0000 | |
| 38 | M | A | 0.7755 | |
| 39 | A | A | 0.3467 | |
| 40 | A | A | 0.0000 | |
| 41 | G | A | 0.1071 | |
| 42 | G | A | 0.2941 | |
| 43 | L | A | 1.0995 | |
| 44 | Q | A | 0.0694 | |
| 45 | M | A | 1.0049 | |
| 46 | I | A | 0.4006 | |
| 47 | G | A | -0.3370 | |
| 48 | S | A | -0.0817 | |
| 49 | M | A | -0.1156 | |
| 50 | S | A | -1.4119 | |
| 51 | K | A | -2.6527 | |
| 52 | D | A | -2.8459 | |
| 53 | M | A | 0.0000 | |
| 54 | Y | A | -1.7419 | |
| 55 | Q | A | -2.2659 | |
| 56 | I | A | -1.5902 | |
| 57 | M | A | 0.0000 | |
| 58 | D | A | -2.0946 | |
| 59 | E | A | -1.8863 | |
| 60 | I | A | 0.0000 | |
| 61 | K | A | -1.9368 | |
| 62 | E | A | -2.6342 | |
| 63 | G | A | -1.3619 | |
| 64 | I | A | 0.0000 | |
| 65 | Q | A | -1.4548 | |
| 66 | Y | A | -0.5518 | |
| 67 | V | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | Q | A | -1.1605 | |
| 70 | T | A | 0.0000 | |
| 71 | R | A | -2.4000 | |
| 72 | N | A | -1.7444 | |
| 73 | P | A | -1.4940 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | S | A | -0.0423 | |
| 80 | G | A | -0.2708 | |
| 81 | S | A | -0.3936 | |
| 82 | G | A | -0.4178 | |
| 83 | H | A | -0.7133 | |
| 84 | C | A | -0.4740 | |
| 85 | A | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -0.9580 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -0.8313 | |
| 96 | P | A | -0.9587 | |
| 97 | G | A | -1.0443 | |
| 98 | D | A | -0.8146 | |
| 99 | S | A | -0.8081 | |
| 100 | F | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | A | A | -0.9448 | |
| 105 | N | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | W | A | -0.6114 | |
| 109 | G | A | 0.0000 | |
| 110 | Q | A | -1.6744 | |
| 111 | R | A | -1.8509 | |
| 112 | A | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | D | A | -2.3476 | |
| 115 | I | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | E | A | -3.0982 | |
| 118 | R | A | -2.9348 | |
| 119 | I | A | -1.4473 | |
| 120 | G | A | -1.7490 | |
| 123 | V | A | -0.5018 | |
| 124 | H | A | -0.4774 | |
| 125 | P | A | -0.4124 | |
| 126 | M | A | -0.4111 | |
| 127 | T | A | -0.9966 | |
| 128 | K | A | -1.7143 | |
| 129 | D | A | -2.2929 | |
| 130 | P | A | -1.3811 | |
| 131 | G | A | -1.0176 | |
| 132 | G | A | -0.9918 | |
| 133 | H | A | -0.6361 | |
| 134 | Y | A | 0.0000 | |
| 135 | T | A | -0.6079 | |
| 136 | L | A | -0.6198 | |
| 137 | Q | A | -1.6716 | |
| 138 | E | A | -1.7024 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -2.5288 | |
| 141 | E | A | -3.0225 | |
| 142 | G | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | A | A | -2.1123 | |
| 145 | Q | A | -2.3400 | |
| 146 | H | A | -1.8612 | |
| 147 | K | A | -2.6408 | |
| 148 | P | A | 0.0000 | |
| 149 | V | A | -0.5681 | |
| 150 | L | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | H | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | E | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.0416 | |
| 164 | Q | A | 0.0000 | |
| 165 | P | A | -0.5145 | |
| 166 | L | A | 0.0000 | |
| 167 | D | A | -2.3094 | |
| 168 | G | A | -1.6813 | |
| 169 | F | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | E | A | -2.9085 | |
| 172 | L | A | -1.9912 | |
| 173 | C | A | 0.0000 | |
| 174 | H | A | -2.5419 | |
| 175 | R | A | -3.0358 | |
| 176 | Y | A | -2.3217 | |
| 177 | K | A | -2.7017 | |
| 178 | C | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | V | A | 0.0824 | |
| 186 | A | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | P | A | -0.5501 | |
| 193 | L | A | 0.0000 | |
| 194 | Y | A | -0.8552 | |
| 195 | M | A | 0.0000 | |
| 196 | D | A | -1.7891 | |
| 197 | R | A | -2.4083 | |
| 198 | Q | A | -2.0407 | |
| 199 | G | A | -1.5950 | |
| 200 | I | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | S | A | 0.0000 | |
| 208 | Q | A | -0.3944 | |
| 209 | K | A | -0.3731 | |
| 210 | A | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | P | A | -0.1531 | |
| 215 | P | A | -0.4884 | |
| 216 | G | A | -0.4416 | |
| 217 | T | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | S | A | -2.1586 | |
| 224 | D | A | -3.2213 | |
| 225 | K | A | -3.1040 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -2.5461 | |
| 228 | K | A | -2.8536 | |
| 229 | K | A | -1.7531 | |
| 230 | M | A | 0.0000 | |
| 231 | Y | A | -0.7110 | |
| 232 | S | A | -1.1676 | |
| 233 | R | A | -1.6384 | |
| 234 | K | A | -2.1980 | |
| 235 | T | A | -1.5579 | |
| 236 | K | A | -1.6191 | |
| 237 | P | A | 0.0000 | |
| 238 | F | A | 1.9952 | |
| 239 | S | A | 1.6842 | |
| 240 | F | A | 2.2855 | |
| 241 | Y | A | 1.9956 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | K | A | -1.1996 | |
| 246 | W | A | 0.2983 | |
| 247 | L | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | G | A | -1.1847 | |
| 253 | C | A | -1.3558 | |
| 254 | D | A | -2.4238 | |
| 255 | D | A | -2.8540 | |
| 256 | Q | A | -2.3545 | |
| 257 | P | A | -1.2367 | |
| 258 | R | A | -0.5000 | |
| 259 | M | A | 0.7854 | |
| 260 | Y | A | 1.4976 | |
| 261 | H | A | 0.0000 | |
| 262 | H | A | 0.6558 | |
| 263 | T | A | 0.0843 | |
| 264 | I | A | 0.0000 | |
| 265 | P | A | -0.0411 | |
| 266 | V | A | 0.0000 | |
| 267 | I | A | 0.6542 | |
| 268 | S | A | -0.0673 | |
| 269 | L | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | R | A | -0.9934 | |
| 274 | E | A | -0.5119 | |
| 275 | S | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | A | A | -0.6896 | |
| 278 | L | A | -0.6641 | |
| 279 | I | A | 0.0000 | |
| 280 | A | A | -0.8843 | |
| 281 | E | A | -2.1362 | |
| 282 | Q | A | -2.0393 | |
| 283 | G | A | -1.7129 | |
| 284 | L | A | 0.0000 | |
| 285 | E | A | -2.9139 | |
| 286 | N | A | -3.3321 | |
| 287 | S | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | R | A | -3.8043 | |
| 290 | Q | A | -2.8670 | |
| 291 | H | A | 0.0000 | |
| 292 | R | A | -2.9201 | |
| 293 | E | A | -3.1571 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | A | A | -1.2712 | |
| 297 | Y | A | -1.1083 | |
| 298 | L | A | 0.0000 | |
| 299 | H | A | -1.0400 | |
| 300 | G | A | -0.9796 | |
| 301 | R | A | -1.3062 | |
| 302 | L | A | 0.0000 | |
| 303 | Q | A | -1.9057 | |
| 304 | A | A | -1.2250 | |
| 305 | L | A | -1.3953 | |
| 306 | G | A | -1.3140 | |
| 307 | L | A | 0.0000 | |
| 308 | Q | A | -1.6406 | |
| 309 | L | A | -1.0537 | |
| 310 | F | A | -0.5072 | |
| 311 | V | A | 0.0000 | |
| 312 | K | A | -2.1335 | |
| 313 | D | A | -1.5757 | |
| 314 | P | A | -0.9666 | |
| 315 | A | A | -0.4677 | |
| 316 | L | A | -0.4887 | |
| 317 | R | A | -0.6867 | |
| 318 | L | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | A | A | -0.3277 | |
| 326 | V | A | -0.2390 | |
| 327 | P | A | -0.4837 | |
| 328 | A | A | -0.5246 | |
| 329 | G | A | -1.4704 | |
| 330 | Y | A | -1.4793 | |
| 331 | D | A | -1.8152 | |
| 332 | W | A | -1.1833 | |
| 333 | R | A | -2.1159 | |
| 334 | D | A | -1.8237 | |
| 335 | I | A | 0.0000 | |
| 336 | V | A | -0.7228 | |
| 337 | S | A | -1.2000 | |
| 338 | Y | A | -1.1435 | |
| 339 | V | A | 0.0000 | |
| 340 | I | A | -1.0876 | |
| 341 | D | A | -2.2779 | |
| 342 | H | A | -1.6751 | |
| 343 | F | A | -1.3413 | |
| 344 | D | A | -2.3735 | |
| 345 | I | A | 0.0000 | |
| 346 | E | A | -0.8288 | |
| 347 | I | A | 0.0000 | |
| 348 | M | A | -0.0200 | |
| 349 | G | A | 0.0000 | |
| 350 | G | A | -0.3390 | |
| 351 | L | A | -0.0313 | |
| 352 | G | A | -0.4577 | |
| 353 | P | A | -0.8815 | |
| 354 | S | A | 0.0000 | |
| 355 | T | A | -0.6130 | |
| 356 | G | A | -1.1358 | |
| 357 | K | A | -1.2700 | |
| 358 | V | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | G | A | 0.0973 | |
| 366 | C | A | 0.3584 | |
| 367 | N | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | T | A | -1.6908 | |
| 370 | R | A | -3.1154 | |
| 371 | E | A | -3.2666 | |
| 372 | N | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | D | A | -3.1482 | |
| 375 | R | A | -3.4646 | |
| 376 | V | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | E | A | -3.1492 | |
| 379 | A | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | R | A | -3.0293 | |
| 382 | A | A | -1.9539 | |
| 383 | A | A | 0.0000 | |
| 384 | L | A | -1.8747 | |
| 385 | Q | A | -2.2928 | |
| 386 | H | A | -2.0864 | |
| 387 | C | A | 0.0000 | |
| 388 | P | A | -2.0688 | |
| 389 | K | A | -3.0213 | |
| 390 | K | A | -2.6699 |
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