| Chain sequence(s) |
A: KLIGEGCYSTVFLAKDIHSGKEYAIKVCEKLHIIRKKKREYIRREKDALNMLFNVPHGFVKLYCTFQDEERLYFVLSFAKNGELLSYINQVGSFELNVAKFYAAELLMALEKMHAKGIIHRDLKPENILLDENMHLQIADFGTAKILEPEEIRASSNNTDDTQNERSRKISFVGTPQYVSPELLHDGVDTRASDLWALGCIIYQMISGLPPFRAATEFLTFQKILKMDFEFPEGFPADAKDLVEKLLVLDHSKRLGATDKGETYDSIRNHPFFAGNDWENVWDQTPPTIIPYLP
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] (00:00:00)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:04:05)
[INFO] Main: Simulation completed successfully. (00:04:07)
|
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 | K | A | -0.8609 | |
| 2 | L | A | 0.6118 | |
| 3 | I | A | 0.5946 | |
| 4 | G | A | -0.4064 | |
| 5 | E | A | -1.4263 | |
| 6 | G | A | -0.8992 | |
| 7 | C | A | 0.2297 | |
| 8 | Y | A | -0.2380 | |
| 9 | S | A | -0.3496 | |
| 10 | T | A | -0.1113 | |
| 11 | V | A | 0.5686 | |
| 12 | F | A | 0.9453 | |
| 13 | L | A | -0.1005 | |
| 14 | A | A | -1.0326 | |
| 15 | K | A | -2.8228 | |
| 16 | D | A | -1.9323 | |
| 17 | I | A | 0.1657 | |
| 18 | H | A | -0.8912 | |
| 19 | S | A | -1.4320 | |
| 20 | G | A | -1.8164 | |
| 21 | K | A | -3.0440 | |
| 22 | E | A | -2.8880 | |
| 23 | Y | A | -1.1686 | |
| 24 | A | A | 0.0000 | |
| 25 | I | A | 0.9350 | |
| 26 | K | A | 0.0000 | |
| 27 | V | A | 0.0702 | |
| 28 | C | A | 0.0000 | |
| 29 | E | A | -1.5940 | |
| 30 | K | A | -1.7738 | |
| 31 | L | A | -0.4335 | |
| 32 | H | A | -1.3218 | |
| 33 | I | A | 0.0000 | |
| 34 | I | A | -1.0073 | |
| 35 | R | A | -2.4333 | |
| 36 | K | A | -2.7869 | |
| 37 | K | A | -3.3300 | |
| 38 | K | A | -3.2708 | |
| 39 | R | A | -4.0766 | |
| 40 | E | A | -4.0212 | |
| 41 | Y | A | -2.6403 | |
| 42 | I | A | 0.0000 | |
| 43 | R | A | -3.6585 | |
| 44 | R | A | -2.8964 | |
| 45 | E | A | 0.0000 | |
| 46 | K | A | -2.0803 | |
| 47 | D | A | -1.6105 | |
| 48 | A | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | N | A | -1.3227 | |
| 51 | M | A | -0.6575 | |
| 52 | L | A | 0.0000 | |
| 53 | F | A | -0.3545 | |
| 54 | N | A | -1.2571 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | -0.9461 | |
| 57 | H | A | -1.0560 | |
| 58 | G | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | K | A | -0.4368 | |
| 62 | L | A | 0.0000 | |
| 63 | Y | A | 0.8459 | |
| 64 | C | A | 1.0908 | |
| 65 | T | A | 1.0434 | |
| 66 | F | A | 1.0600 | |
| 67 | Q | A | -1.6443 | |
| 68 | D | A | -2.6418 | |
| 69 | E | A | -3.4324 | |
| 70 | E | A | -3.1994 | |
| 71 | R | A | -2.5050 | |
| 72 | L | A | -1.0271 | |
| 73 | Y | A | 0.3408 | |
| 74 | F | A | 0.0000 | |
| 75 | V | A | 1.0128 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | -0.4157 | |
| 78 | F | A | -0.7845 | |
| 79 | A | A | 0.0000 | |
| 80 | K | A | -2.8157 | |
| 81 | N | A | -2.1357 | |
| 82 | G | A | -1.4302 | |
| 83 | E | A | -1.5053 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | -0.7537 | |
| 86 | S | A | -1.1449 | |
| 87 | Y | A | -0.7447 | |
| 88 | I | A | 0.0000 | |
| 89 | N | A | -1.7544 | |
| 90 | Q | A | -1.5962 | |
| 91 | V | A | -0.5873 | |
| 92 | G | A | -0.8495 | |
| 93 | S | A | -0.0904 | |
| 94 | F | A | 0.0000 | |
| 95 | E | A | 0.0235 | |
| 96 | L | A | -0.5126 | |
| 97 | N | A | -1.3126 | |
| 98 | V | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | K | A | -0.8344 | |
| 101 | F | A | 0.0000 | |
| 102 | Y | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | M | A | -0.4301 | |
| 109 | A | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | K | A | -1.8325 | |
| 113 | M | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | A | A | -1.4604 | |
| 116 | K | A | -1.2567 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | H | A | 0.0000 | |
| 121 | R | A | -0.5971 | |
| 122 | D | A | -0.5489 | |
| 123 | L | A | 0.0000 | |
| 124 | K | A | -0.6521 | |
| 125 | P | A | 0.0000 | |
| 126 | E | A | -1.0964 | |
| 127 | N | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | L | A | -0.7259 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -2.2353 | |
| 132 | E | A | -3.1619 | |
| 133 | N | A | -2.4676 | |
| 134 | M | A | -1.4118 | |
| 135 | H | A | -1.2816 | |
| 136 | L | A | 0.0000 | |
| 137 | Q | A | -0.3850 | |
| 138 | I | A | 0.0000 | |
| 139 | A | A | -0.5842 | |
| 140 | D | A | -0.8420 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | T | A | -0.6173 | |
| 144 | A | A | 0.0000 | |
| 145 | K | A | -0.8250 | |
| 146 | I | A | -0.6700 | |
| 147 | L | A | -1.5574 | |
| 148 | E | A | -2.8390 | |
| 149 | P | A | -2.5498 | |
| 150 | E | A | -3.4067 | |
| 151 | E | A | -3.0200 | |
| 152 | I | A | -2.2317 | |
| 153 | R | A | -3.3526 | |
| 154 | A | A | -3.1696 | |
| 155 | S | A | -2.6813 | |
| 156 | S | A | -2.3327 | |
| 157 | N | A | -2.8349 | |
| 158 | N | A | -3.2268 | |
| 159 | T | A | -2.3303 | |
| 160 | D | A | -3.5061 | |
| 161 | D | A | -3.5351 | |
| 162 | T | A | -2.7666 | |
| 163 | Q | A | -3.3664 | |
| 164 | N | A | -3.5579 | |
| 165 | E | A | -4.0873 | |
| 166 | R | A | -4.1450 | |
| 167 | S | A | -2.9749 | |
| 168 | R | A | -3.5436 | |
| 169 | K | A | -2.3814 | |
| 170 | I | A | -0.5949 | |
| 171 | S | A | 0.0084 | |
| 172 | F | A | 1.1181 | |
| 173 | V | A | 0.7534 | |
| 174 | G | A | 0.0018 | |
| 175 | T | A | -0.3579 | |
| 176 | P | A | -0.3843 | |
| 177 | Q | A | -1.0578 | |
| 178 | Y | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | E | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | L | A | -0.1775 | |
| 185 | H | A | -1.4160 | |
| 186 | D | A | -2.0856 | |
| 187 | G | A | 0.0000 | |
| 188 | V | A | -0.6807 | |
| 189 | D | A | -0.4216 | |
| 190 | T | A | -0.4980 | |
| 191 | R | A | -0.5389 | |
| 192 | A | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | D | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | W | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | S | A | -0.2336 | |
| 208 | G | A | -0.3161 | |
| 209 | L | A | -0.0628 | |
| 210 | P | A | -0.2564 | |
| 211 | P | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | R | A | -1.8937 | |
| 214 | A | A | -0.7027 | |
| 215 | A | A | -0.1990 | |
| 216 | T | A | -0.2213 | |
| 217 | E | A | -1.0019 | |
| 218 | F | A | 1.2813 | |
| 219 | L | A | 0.6084 | |
| 220 | T | A | 0.0000 | |
| 221 | F | A | -0.3143 | |
| 222 | Q | A | -0.8592 | |
| 223 | K | A | -1.5757 | |
| 224 | I | A | 0.0000 | |
| 225 | L | A | -0.8757 | |
| 226 | K | A | -2.0923 | |
| 227 | M | A | -1.3791 | |
| 228 | D | A | -2.6610 | |
| 229 | F | A | -1.7873 | |
| 230 | E | A | -2.0859 | |
| 231 | F | A | -1.2219 | |
| 232 | P | A | -1.4094 | |
| 233 | E | A | -2.2834 | |
| 234 | G | A | -1.3904 | |
| 235 | F | A | 0.0000 | |
| 236 | P | A | -0.7370 | |
| 237 | A | A | -0.7525 | |
| 238 | D | A | -1.1925 | |
| 239 | A | A | 0.0000 | |
| 240 | K | A | -1.7417 | |
| 241 | D | A | -2.1419 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | E | A | -2.3524 | |
| 245 | K | A | -1.9441 | |
| 246 | L | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | -0.5243 | |
| 249 | L | A | -0.1291 | |
| 250 | D | A | -1.3080 | |
| 251 | H | A | -1.0320 | |
| 252 | S | A | -1.4356 | |
| 253 | K | A | -2.0205 | |
| 254 | R | A | 0.0000 | |
| 255 | L | A | -0.8901 | |
| 256 | G | A | 0.0000 | |
| 257 | A | A | -0.8920 | |
| 258 | T | A | -1.4249 | |
| 259 | D | A | -2.0704 | |
| 260 | K | A | -3.0344 | |
| 261 | G | A | -2.5380 | |
| 262 | E | A | -3.0369 | |
| 263 | T | A | -2.1751 | |
| 264 | Y | A | 0.0000 | |
| 265 | D | A | -2.7862 | |
| 266 | S | A | -1.6135 | |
| 267 | I | A | 0.0000 | |
| 268 | R | A | -1.5696 | |
| 269 | N | A | -2.0473 | |
| 270 | H | A | 0.0000 | |
| 271 | P | A | -0.8825 | |
| 272 | F | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | A | A | -1.0060 | |
| 275 | G | A | -1.2331 | |
| 276 | N | A | -2.0089 | |
| 277 | D | A | -2.8236 | |
| 278 | W | A | -1.9171 | |
| 279 | E | A | -2.8457 | |
| 280 | N | A | -2.8851 | |
| 281 | V | A | 0.0000 | |
| 282 | W | A | -1.9050 | |
| 283 | D | A | -2.7903 | |
| 284 | Q | A | -2.4451 | |
| 285 | T | A | -1.2844 | |
| 286 | P | A | -0.9372 | |
| 287 | P | A | -0.4060 | |
| 288 | T | A | 0.0581 | |
| 289 | I | A | 0.3781 | |
| 290 | I | A | 0.9590 | |
| 291 | P | A | 0.4759 | |
| 292 | Y | A | 0.9199 | |
| 293 | L | A | 1.5855 | |
| 294 | P | A | 0.2160 |
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