| Chain sequence(s) |
A: AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VS210A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.26737 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 (00:01:51)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:13)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:59)
[INFO] Main: Simulation completed successfully. (00:04:02)
|
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 | A | A | 0.1014 | |
| 2 | V | A | 0.4061 | |
| 3 | C | A | 0.0000 | |
| 4 | P | A | -1.0083 | |
| 5 | D | A | -2.0085 | |
| 6 | G | A | -1.2489 | |
| 7 | T | A | -1.1000 | |
| 8 | R | A | -1.6855 | |
| 9 | V | A | 0.0000 | |
| 10 | S | A | -1.0701 | |
| 11 | H | A | -0.9714 | |
| 12 | A | A | -0.0701 | |
| 13 | A | A | -0.2559 | |
| 14 | C | A | 0.0000 | |
| 15 | C | A | -0.1594 | |
| 16 | A | A | -0.0839 | |
| 17 | F | A | 0.0000 | |
| 18 | I | A | -0.3970 | |
| 19 | P | A | -0.7880 | |
| 20 | L | A | 0.0000 | |
| 21 | A | A | 0.0000 | |
| 22 | Q | A | -2.1637 | |
| 23 | D | A | -1.6899 | |
| 24 | L | A | 0.0000 | |
| 25 | Q | A | -2.4598 | |
| 26 | E | A | -2.9527 | |
| 27 | T | A | -1.6387 | |
| 28 | I | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | Q | A | -2.8664 | |
| 31 | N | A | -2.7745 | |
| 32 | E | A | -2.0642 | |
| 33 | C | A | 0.0000 | |
| 34 | G | A | -1.3095 | |
| 35 | E | A | -1.0325 | |
| 36 | D | A | -1.2306 | |
| 37 | A | A | 0.0000 | |
| 38 | H | A | -0.9503 | |
| 39 | E | A | -1.4345 | |
| 40 | V | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | R | A | -0.9088 | |
| 43 | L | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | F | A | 0.0613 | |
| 46 | H | A | 0.0000 | |
| 47 | D | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | -0.6771 | |
| 52 | S | A | 0.0000 | |
| 53 | R | A | -2.6272 | |
| 54 | S | A | -1.7250 | |
| 55 | Q | A | -2.1896 | |
| 56 | G | A | -1.9211 | |
| 57 | P | A | -1.6238 | |
| 58 | K | A | -1.7248 | |
| 59 | A | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | G | A | -0.5095 | |
| 62 | G | A | 0.0000 | |
| 63 | A | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | M | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | L | A | 0.5844 | |
| 70 | F | A | 1.1414 | |
| 71 | P | A | 0.2018 | |
| 72 | T | A | 0.0864 | |
| 73 | V | A | 0.4335 | |
| 74 | E | A | 0.0000 | |
| 75 | P | A | 0.0000 | |
| 76 | N | A | -1.6289 | |
| 77 | F | A | -1.0215 | |
| 78 | S | A | -1.1884 | |
| 79 | A | A | -1.0793 | |
| 80 | N | A | 0.0000 | |
| 81 | N | A | -2.2798 | |
| 82 | G | A | -2.0595 | |
| 83 | I | A | 0.0000 | |
| 84 | D | A | -1.8421 | |
| 85 | D | A | -1.7860 | |
| 86 | S | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | N | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | I | A | -0.2661 | |
| 92 | P | A | -0.9579 | |
| 93 | F | A | 0.0000 | |
| 94 | M | A | -1.2648 | |
| 95 | Q | A | -2.3543 | |
| 96 | K | A | -2.7047 | |
| 97 | H | A | -1.9500 | |
| 98 | N | A | -2.2718 | |
| 99 | T | A | -1.1749 | |
| 100 | I | A | 0.0000 | |
| 101 | S | A | -1.0879 | |
| 102 | A | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | D | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | Q | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | P | A | -0.4834 | |
| 119 | G | A | -0.5793 | |
| 120 | A | A | 0.0000 | |
| 121 | P | A | -0.5867 | |
| 122 | R | A | -0.9818 | |
| 123 | L | A | 0.0000 | |
| 124 | E | A | -1.3638 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | G | A | -0.7824 | |
| 129 | R | A | 0.0000 | |
| 130 | P | A | -1.3516 | |
| 131 | N | A | -1.8132 | |
| 132 | K | A | -1.9107 | |
| 133 | T | A | -0.3879 | |
| 134 | I | A | 0.7361 | |
| 135 | A | A | 0.6915 | |
| 136 | A | A | 0.0000 | |
| 137 | V | A | -0.1611 | |
| 138 | D | A | -1.6262 | |
| 139 | G | A | -1.1566 | |
| 140 | L | A | -0.4946 | |
| 141 | I | A | 0.0000 | |
| 142 | P | A | -0.9167 | |
| 143 | E | A | -1.1760 | |
| 144 | P | A | -0.7619 | |
| 145 | Q | A | -1.2375 | |
| 146 | D | A | 0.0000 | |
| 147 | S | A | -1.2508 | |
| 148 | V | A | 0.0000 | |
| 149 | T | A | -1.4722 | |
| 150 | K | A | -2.4226 | |
| 151 | I | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | Q | A | -2.3995 | |
| 154 | R | A | -1.6811 | |
| 155 | F | A | 0.0000 | |
| 156 | E | A | -2.2754 | |
| 157 | D | A | -1.9421 | |
| 158 | A | A | 0.0000 | |
| 159 | G | A | -1.2577 | |
| 160 | G | A | -1.6138 | |
| 161 | F | A | 0.0000 | |
| 162 | T | A | -0.4527 | |
| 163 | P | A | -0.3258 | |
| 164 | F | A | 0.5595 | |
| 165 | E | A | -0.2108 | |
| 166 | V | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | L | A | 0.1283 | |
| 171 | A | A | 0.0000 | |
| 172 | S | A | -0.1140 | |
| 173 | H | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | A | A | -0.3957 | |
| 177 | R | A | -1.1763 | |
| 178 | A | A | 0.0000 | |
| 179 | D | A | -3.4583 | |
| 180 | K | A | -2.9621 | |
| 181 | V | A | -1.5336 | |
| 182 | D | A | 0.0000 | |
| 183 | Q | A | -2.2526 | |
| 184 | T | A | -1.3242 | |
| 185 | I | A | -1.6234 | |
| 186 | D | A | -2.9604 | |
| 187 | A | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | P | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | D | A | 0.0000 | |
| 192 | S | A | 0.0428 | |
| 193 | T | A | -0.0292 | |
| 194 | P | A | 0.0000 | |
| 195 | F | A | -0.2495 | |
| 196 | T | A | -0.0759 | |
| 197 | F | A | 0.0000 | |
| 198 | D | A | -0.8324 | |
| 199 | T | A | 0.0000 | |
| 200 | Q | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | E | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -1.8730 | |
| 209 | G | A | -1.0343 | |
| 210 | S | A | -0.4659 | mutated: VS210A |
| 211 | G | A | -0.0512 | |
| 212 | F | A | 0.2245 | |
| 213 | P | A | 0.0089 | |
| 214 | G | A | -0.5512 | |
| 215 | S | A | -0.6001 | |
| 216 | A | A | -0.5425 | |
| 217 | N | A | -1.3217 | |
| 218 | N | A | -1.1029 | |
| 219 | T | A | -0.6899 | |
| 220 | G | A | -0.7590 | |
| 221 | E | A | 0.0000 | |
| 222 | V | A | 0.1301 | |
| 223 | A | A | 0.0159 | |
| 224 | S | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | P | A | 0.3347 | |
| 228 | L | A | 0.6206 | |
| 229 | G | A | -0.0778 | |
| 230 | S | A | -0.3934 | |
| 231 | G | A | -0.5501 | |
| 232 | S | A | -0.5173 | |
| 233 | D | A | -0.4742 | |
| 234 | T | A | -0.5899 | |
| 235 | G | A | 0.0000 | |
| 236 | E | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | R | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | Q | A | -0.2235 | |
| 241 | S | A | -0.2306 | |
| 242 | D | A | 0.0000 | |
| 243 | F | A | 0.7772 | |
| 244 | A | A | 0.0582 | |
| 245 | L | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | H | A | -0.3763 | |
| 248 | D | A | -0.7308 | |
| 249 | P | A | -0.9644 | |
| 250 | R | A | -1.2593 | |
| 251 | T | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | C | A | -0.1651 | |
| 254 | I | A | 0.1894 | |
| 255 | W | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | G | A | -0.6979 | |
| 258 | F | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | N | A | -1.3861 | |
| 261 | E | A | -1.6779 | |
| 262 | Q | A | -1.2187 | |
| 263 | A | A | -0.2347 | |
| 264 | F | A | 0.2998 | |
| 265 | M | A | 0.0000 | |
| 266 | A | A | -0.3971 | |
| 267 | A | A | -0.1209 | |
| 268 | S | A | -0.0428 | |
| 269 | F | A | 0.0000 | |
| 270 | R | A | -1.3122 | |
| 271 | A | A | -0.7627 | |
| 272 | A | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | S | A | -0.9523 | |
| 275 | K | A | -1.3815 | |
| 276 | L | A | 0.0000 | |
| 277 | A | A | -0.5066 | |
| 278 | V | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | G | A | -1.1888 | |
| 281 | H | A | -1.6377 | |
| 282 | N | A | -2.4595 | |
| 283 | R | A | -2.7288 | |
| 284 | N | A | -2.3653 | |
| 285 | S | A | -1.6644 | |
| 286 | L | A | -1.1851 | |
| 287 | I | A | -0.6902 | |
| 288 | D | A | -1.9781 | |
| 289 | C | A | 0.0000 | |
| 290 | S | A | -1.5005 | |
| 291 | D | A | -2.2139 | |
| 292 | V | A | -0.8553 | |
| 293 | V | A | 0.0000 | |
| 294 | P | A | 0.1999 | |
| 295 | V | A | 1.1588 | |
| 296 | P | A | 0.2647 | |
| 297 | K | A | -0.5192 | |
| 298 | P | A | -0.3440 | |
| 299 | A | A | -0.7023 | |
| 300 | T | A | -0.7916 | |
| 301 | G | A | -1.2534 | |
| 302 | Q | A | -1.6440 | |
| 303 | P | A | -1.2893 | |
| 304 | A | A | 0.0000 | |
| 305 | M | A | -0.2255 | |
| 306 | F | A | 0.0000 | |
| 307 | P | A | 0.0000 | |
| 308 | A | A | -0.6942 | |
| 309 | S | A | -0.6261 | |
| 310 | T | A | -0.7865 | |
| 311 | G | A | 0.0000 | |
| 312 | P | A | -1.1084 | |
| 313 | Q | A | -1.8556 | |
| 314 | D | A | -1.6939 | |
| 315 | L | A | -1.2551 | |
| 316 | E | A | -1.6899 | |
| 317 | L | A | 0.1506 | |
| 318 | S | A | -0.2922 | |
| 319 | C | A | 0.0000 | |
| 320 | P | A | -0.9755 | |
| 321 | S | A | -1.5724 | |
| 322 | E | A | -2.8015 | |
| 323 | R | A | -2.7812 | |
| 324 | F | A | -1.1775 | |
| 325 | P | A | -0.9544 | |
| 326 | T | A | -0.3046 | |
| 327 | L | A | -0.0770 | |
| 328 | T | A | -0.2287 | |
| 329 | T | A | -0.5288 | |
| 330 | Q | A | -0.9715 | |
| 331 | P | A | -0.9101 | |
| 332 | G | A | -0.9047 | |
| 333 | A | A | -0.5112 | |
| 334 | S | A | -0.3659 | |
| 335 | Q | A | -0.2041 | |
| 336 | S | A | -0.0683 | |
| 337 | L | A | 0.4245 | |
| 338 | I | A | 0.0000 | |
| 339 | A | A | -0.2966 | |
| 340 | H | A | -0.5545 | |
| 341 | C | A | 0.0000 | |
| 342 | P | A | -1.1521 | |
| 343 | D | A | -2.0330 | |
| 344 | G | A | -1.2731 | |
| 345 | S | A | -0.5094 | |
| 346 | M | A | 0.3177 | |
| 347 | S | A | -0.0800 | |
| 348 | C | A | -0.2905 | |
| 349 | P | A | -0.3918 | |
| 350 | G | A | -0.7898 | |
| 351 | V | A | -0.1235 | |
| 352 | Q | A | -0.9265 | |
| 353 | F | A | -0.4533 | |
| 354 | N | A | -1.4981 | |
| 355 | G | A | -1.0729 | |
| 356 | P | A | -0.5834 | |
| 357 | A | A | -0.7741 |
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