| Chain sequence(s) |
A: MEIKLDNQEVTPELVKELEEELKKAEVIHLNNAKISDESAELIIEIIKKQENLKELHLSGVELSEEQVIAILEAIKNPELWQTLDLTGKNLHPDVTGRLLSQGVIAFRCPRSFMDQPLAEHFSPFRVQHMDLSNSVIEVSTLHGILSQCSKLQNLSLEGLRLSDPIVNTLAKNSNLVRLNLSGCSGFSEFALQTLLSSCSRLDELNLSWCFDFTEKHVQVAVAHVSETITQLNLSGYRKNLQKSDLSTLVRRCPNLVHLDLSDSVMLKNDCFQEFFQLNYLQHLSLSRCYDIIPETLLELGEIPTLKTLQVFGIVPDGTLQLLKEALPHLQINCSHFTTIARPTIGNKKNQEIWGIKCRLTLQKPSCL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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] Analysis: Starting Aggrescan3D on folded.pdb (00:07:37)
[INFO] Main: Simulation completed successfully. (00:07:40)
|
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 | -0.9214 | |
| 2 | E | A | -2.3908 | |
| 3 | I | A | -1.7842 | |
| 4 | K | A | -2.4238 | |
| 5 | L | A | -2.1593 | |
| 6 | D | A | -2.6559 | |
| 7 | N | A | -3.3297 | |
| 8 | Q | A | -3.4309 | |
| 9 | E | A | -3.3213 | |
| 10 | V | A | 0.0000 | |
| 11 | T | A | -2.2580 | |
| 12 | P | A | -2.5336 | |
| 13 | E | A | -2.7996 | |
| 14 | L | A | -2.0594 | |
| 15 | V | A | 0.0000 | |
| 16 | K | A | -3.7374 | |
| 17 | E | A | -3.6494 | |
| 18 | L | A | -2.8320 | |
| 19 | E | A | -4.0369 | |
| 20 | E | A | -4.0576 | |
| 21 | E | A | -3.5753 | |
| 22 | L | A | 0.0000 | |
| 23 | K | A | -4.3107 | |
| 24 | K | A | -4.0081 | |
| 25 | A | A | 0.0000 | |
| 26 | E | A | -2.6968 | |
| 27 | V | A | -1.7678 | |
| 28 | I | A | 0.0000 | |
| 29 | H | A | -1.4526 | |
| 30 | L | A | 0.0000 | |
| 31 | N | A | -2.0456 | |
| 32 | N | A | -3.0124 | |
| 33 | A | A | 0.0000 | |
| 34 | K | A | -3.5151 | |
| 35 | I | A | -2.6261 | |
| 36 | S | A | -2.5711 | |
| 37 | D | A | -3.3118 | |
| 38 | E | A | -3.2683 | |
| 39 | S | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | E | A | -3.2195 | |
| 42 | L | A | -2.6575 | |
| 43 | I | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | E | A | -3.0108 | |
| 46 | I | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -3.6993 | |
| 49 | K | A | -3.9069 | |
| 50 | Q | A | 0.0000 | |
| 51 | E | A | -4.1686 | |
| 52 | N | A | -3.5391 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | -2.4668 | |
| 55 | E | A | -1.4815 | |
| 56 | L | A | 0.0000 | |
| 57 | H | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | S | A | -1.1303 | |
| 60 | G | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | E | A | -2.7151 | |
| 63 | L | A | -1.7889 | |
| 64 | S | A | -1.6498 | |
| 65 | E | A | -2.1204 | |
| 66 | E | A | -2.1760 | |
| 67 | Q | A | -2.1329 | |
| 68 | V | A | 0.0000 | |
| 69 | I | A | -1.1281 | |
| 70 | A | A | -1.7047 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.4245 | |
| 74 | A | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | K | A | -3.5641 | |
| 77 | N | A | -2.5843 | |
| 78 | P | A | -2.0503 | |
| 79 | E | A | -2.2498 | |
| 80 | L | A | 0.0000 | |
| 81 | W | A | 0.0000 | |
| 82 | Q | A | -1.3211 | |
| 83 | T | A | -0.7418 | |
| 84 | L | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -0.9945 | |
| 88 | G | A | -1.3682 | |
| 89 | K | A | 0.0000 | |
| 90 | N | A | -1.5563 | |
| 91 | L | A | 0.0000 | |
| 92 | H | A | -1.0897 | |
| 93 | P | A | 0.0000 | |
| 94 | D | A | -0.8680 | |
| 95 | V | A | 0.0000 | |
| 96 | T | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | R | A | -1.5128 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | S | A | -1.2840 | |
| 102 | Q | A | -1.6998 | |
| 103 | G | A | -1.4797 | |
| 104 | V | A | 0.0000 | |
| 105 | I | A | -0.9385 | |
| 106 | A | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | R | A | 0.0000 | |
| 109 | C | A | 0.0000 | |
| 110 | P | A | -1.0493 | |
| 111 | R | A | -2.1251 | |
| 112 | S | A | 0.0000 | |
| 113 | F | A | -0.3982 | |
| 114 | M | A | 0.0000 | |
| 115 | D | A | -2.2771 | |
| 116 | Q | A | -2.1205 | |
| 117 | P | A | -1.3180 | |
| 118 | L | A | -0.8543 | |
| 119 | A | A | -0.6164 | |
| 120 | E | A | -1.2549 | |
| 121 | H | A | -1.4124 | |
| 122 | F | A | -0.8487 | |
| 123 | S | A | -0.8324 | |
| 124 | P | A | -1.1888 | |
| 125 | F | A | 0.0000 | |
| 126 | R | A | -2.6156 | |
| 127 | V | A | 0.0000 | |
| 128 | Q | A | -1.5185 | |
| 129 | H | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | -1.1086 | |
| 134 | N | A | -1.7397 | |
| 135 | S | A | 0.0000 | |
| 136 | V | A | -0.2466 | |
| 137 | I | A | -0.8795 | |
| 138 | E | A | -1.5488 | |
| 139 | V | A | -0.8844 | |
| 140 | S | A | -0.7860 | |
| 141 | T | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | H | A | -0.6599 | |
| 144 | G | A | -0.5594 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | S | A | -0.6955 | |
| 148 | Q | A | -1.2277 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -2.0863 | |
| 151 | K | A | -2.9147 | |
| 152 | L | A | 0.0000 | |
| 153 | Q | A | -1.4283 | |
| 154 | N | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | -0.9826 | |
| 159 | G | A | -1.2849 | |
| 160 | L | A | 0.0000 | |
| 161 | R | A | -2.0270 | |
| 162 | L | A | 0.0000 | |
| 163 | S | A | -1.0235 | |
| 164 | D | A | -0.8393 | |
| 165 | P | A | -0.9094 | |
| 166 | I | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | N | A | -1.2380 | |
| 169 | T | A | -1.1737 | |
| 170 | L | A | 0.0000 | |
| 171 | A | A | -1.3423 | |
| 172 | K | A | -2.3360 | |
| 173 | N | A | 0.0000 | |
| 174 | S | A | -1.8990 | |
| 175 | N | A | -2.3598 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | -1.2002 | |
| 178 | R | A | -1.1220 | |
| 179 | L | A | 0.0000 | |
| 180 | N | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | G | A | -0.2393 | |
| 184 | C | A | 0.0000 | |
| 185 | S | A | -0.7157 | |
| 186 | G | A | -0.8390 | |
| 187 | F | A | 0.0000 | |
| 188 | S | A | -0.1182 | |
| 189 | E | A | -0.2357 | |
| 190 | F | A | 1.2674 | |
| 191 | A | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -0.2244 | |
| 194 | T | A | -0.3587 | |
| 195 | L | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | S | A | -0.7174 | |
| 198 | S | A | -1.1727 | |
| 199 | C | A | 0.0000 | |
| 200 | S | A | -1.7619 | |
| 201 | R | A | -2.7326 | |
| 202 | L | A | 0.0000 | |
| 203 | D | A | -1.7133 | |
| 204 | E | A | -1.0605 | |
| 205 | L | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | W | A | 0.5136 | |
| 210 | C | A | 0.0000 | |
| 211 | F | A | 1.4263 | |
| 212 | D | A | -0.2505 | |
| 213 | F | A | 0.0000 | |
| 214 | T | A | -1.9360 | |
| 215 | E | A | -3.6099 | |
| 216 | K | A | -2.7065 | |
| 217 | H | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | Q | A | -2.4037 | |
| 220 | V | A | -1.0215 | |
| 221 | A | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | -0.8910 | |
| 224 | H | A | -0.8883 | |
| 225 | V | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | E | A | -2.5435 | |
| 228 | T | A | -1.7751 | |
| 229 | I | A | 0.0000 | |
| 230 | T | A | -0.6271 | |
| 231 | Q | A | -0.6355 | |
| 232 | L | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | R | A | -2.4749 | |
| 239 | K | A | -2.8753 | |
| 240 | N | A | -2.9419 | |
| 241 | L | A | 0.0000 | |
| 242 | Q | A | -2.2753 | |
| 243 | K | A | -1.4062 | |
| 244 | S | A | -0.8875 | |
| 245 | D | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | S | A | -1.2084 | |
| 248 | T | A | -1.0275 | |
| 249 | L | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | R | A | -2.4723 | |
| 252 | R | A | -1.9153 | |
| 253 | C | A | 0.0000 | |
| 254 | P | A | -1.5415 | |
| 255 | N | A | -1.0166 | |
| 256 | L | A | 0.0000 | |
| 257 | V | A | 0.1106 | |
| 258 | H | A | -0.1684 | |
| 259 | L | A | 0.0000 | |
| 260 | D | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | D | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | V | A | -0.9048 | |
| 266 | M | A | -1.0534 | |
| 267 | L | A | 0.0000 | |
| 268 | K | A | -1.4437 | |
| 269 | N | A | -2.0026 | |
| 270 | D | A | -2.5402 | |
| 271 | C | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | Q | A | -1.9436 | |
| 274 | E | A | -1.4984 | |
| 275 | F | A | 0.0000 | |
| 276 | F | A | -0.9658 | |
| 277 | Q | A | -1.6098 | |
| 278 | L | A | 0.0000 | |
| 279 | N | A | -1.0791 | |
| 280 | Y | A | 0.1839 | |
| 281 | L | A | 0.0000 | |
| 282 | Q | A | -0.7323 | |
| 283 | H | A | -0.7883 | |
| 284 | L | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | R | A | -0.4834 | |
| 289 | C | A | 0.0000 | |
| 290 | Y | A | 0.8339 | |
| 291 | D | A | -0.2967 | |
| 292 | I | A | 0.0000 | |
| 293 | I | A | 0.2934 | |
| 294 | P | A | -0.2029 | |
| 295 | E | A | -1.3989 | |
| 296 | T | A | -1.1973 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | -0.7971 | |
| 299 | E | A | -2.2956 | |
| 300 | L | A | 0.0000 | |
| 301 | G | A | -1.6925 | |
| 302 | E | A | -2.2001 | |
| 303 | I | A | 0.0000 | |
| 304 | P | A | -1.1185 | |
| 305 | T | A | -0.7162 | |
| 306 | L | A | 0.0000 | |
| 307 | K | A | -2.0946 | |
| 308 | T | A | -1.3779 | |
| 309 | L | A | 0.0000 | |
| 310 | Q | A | -0.2971 | |
| 311 | V | A | 0.0000 | |
| 312 | F | A | -0.0121 | |
| 313 | G | A | -0.4343 | |
| 314 | I | A | 0.1396 | |
| 315 | V | A | -0.5484 | |
| 316 | P | A | -1.2688 | |
| 317 | D | A | -2.1289 | |
| 318 | G | A | -1.3308 | |
| 319 | T | A | -1.1407 | |
| 320 | L | A | -1.2815 | |
| 321 | Q | A | -1.6592 | |
| 322 | L | A | -0.2817 | |
| 323 | L | A | 0.0000 | |
| 324 | K | A | -1.8396 | |
| 325 | E | A | -2.0918 | |
| 326 | A | A | -0.8632 | |
| 327 | L | A | 0.0000 | |
| 328 | P | A | -1.7370 | |
| 329 | H | A | -2.0332 | |
| 330 | L | A | 0.0000 | |
| 331 | Q | A | -1.8113 | |
| 332 | I | A | 0.0000 | |
| 333 | N | A | -0.3901 | |
| 334 | C | A | 0.2501 | |
| 335 | S | A | 0.0858 | |
| 336 | H | A | -0.0962 | |
| 337 | F | A | 1.2440 | |
| 338 | T | A | 0.5741 | |
| 339 | T | A | 0.2204 | |
| 340 | I | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | R | A | -0.3603 | |
| 343 | P | A | 0.0000 | |
| 344 | T | A | -0.6633 | |
| 345 | I | A | 0.1076 | |
| 346 | G | A | -1.1848 | |
| 347 | N | A | -2.7747 | |
| 348 | K | A | -3.2425 | |
| 349 | K | A | -3.3109 | |
| 350 | N | A | -2.4665 | |
| 351 | Q | A | -1.8425 | |
| 352 | E | A | -1.4598 | |
| 353 | I | A | 0.0000 | |
| 354 | W | A | -0.2926 | |
| 355 | G | A | -0.6574 | |
| 356 | I | A | -0.6672 | |
| 357 | K | A | -1.6509 | |
| 358 | C | A | 0.0000 | |
| 359 | R | A | -1.1839 | |
| 360 | L | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | Q | A | -1.1389 | |
| 364 | K | A | -1.9190 | |
| 365 | P | A | -0.8253 | |
| 366 | S | A | -0.1422 | |
| 367 | C | A | 1.2015 | |
| 368 | L | A | 1.8247 |
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