| Chain sequence(s) |
A: KYALADPSLKMADPNRFRGKNLPVLDRLTDPPGVKRVYHIQPSLEDPFQPPSIPITVYYAVLERACRSVLLHAPSEAPQIVRGASDEARKHTYNLTIAWYRMGDNCAIPITVMEYTECPYNKSLGVCPIRTQPRWSYYDSFSAVSEDNLGFLMHAPAFETAGTYLRLVKINDWTEITQFILEHRARASCKYALPLRIPPAACLTSKAYQQGVTVDSIGMLPRFIPENQRTVALYSLKIAGWHGPKPPYTSTLLPPELSDTTNATQPELVPEDPEDSALLEDPAGTVSSQIPPNWHIPSIQDVAP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| 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 minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:33)
[INFO] Main: Simulation completed successfully. (00:03:34)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | K | A | -1.3203 | |
| 2 | Y | A | -0.1974 | |
| 3 | A | A | 0.4764 | |
| 4 | L | A | 0.9091 | |
| 5 | A | A | 0.0000 | |
| 6 | D | A | -0.7876 | |
| 7 | P | A | -0.7463 | |
| 8 | S | A | -0.7416 | |
| 9 | L | A | -0.5084 | |
| 10 | K | A | -0.7868 | |
| 11 | M | A | -0.8834 | |
| 12 | A | A | 0.0000 | |
| 13 | D | A | -2.7085 | |
| 14 | P | A | -2.5155 | |
| 15 | N | A | -2.9036 | |
| 16 | R | A | -3.1828 | |
| 17 | F | A | 0.0000 | |
| 18 | R | A | -2.5328 | |
| 19 | G | A | -1.9793 | |
| 20 | K | A | -2.5949 | |
| 21 | N | A | -2.0539 | |
| 22 | L | A | -0.9694 | |
| 23 | P | A | -0.4190 | |
| 24 | V | A | -0.1561 | |
| 25 | L | A | 0.0000 | |
| 26 | D | A | -2.4182 | |
| 27 | R | A | -2.4771 | |
| 28 | L | A | -0.7768 | |
| 29 | T | A | -0.4995 | |
| 30 | D | A | 0.0000 | |
| 31 | P | A | -0.3027 | |
| 32 | P | A | -0.7098 | |
| 33 | G | A | -0.8306 | |
| 34 | V | A | -0.5869 | |
| 35 | K | A | -1.1548 | |
| 36 | R | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | Y | A | 0.3200 | |
| 39 | H | A | -0.3295 | |
| 40 | I | A | -0.3580 | |
| 41 | Q | A | -0.5428 | |
| 42 | P | A | -0.5398 | |
| 43 | S | A | -0.9419 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -0.4225 | |
| 46 | D | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | F | A | 0.0375 | |
| 49 | Q | A | -0.1500 | |
| 50 | P | A | -0.3424 | |
| 51 | P | A | -0.4973 | |
| 52 | S | A | -0.4299 | |
| 53 | I | A | -0.4633 | |
| 54 | P | A | -0.9237 | |
| 55 | I | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | Y | A | 0.4159 | |
| 60 | A | A | 0.0000 | |
| 61 | V | A | -0.9352 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | -3.1925 | |
| 64 | R | A | -3.1062 | |
| 65 | A | A | -1.9873 | |
| 66 | C | A | -1.0876 | |
| 67 | R | A | -1.0796 | |
| 68 | S | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | H | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | P | A | -0.3486 | |
| 75 | S | A | 0.0000 | |
| 76 | E | A | -0.5242 | |
| 77 | A | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | Q | A | -1.2563 | |
| 80 | I | A | -0.4278 | |
| 81 | V | A | 0.0000 | |
| 82 | R | A | -2.2188 | |
| 83 | G | A | -1.4839 | |
| 84 | A | A | -1.8283 | |
| 85 | S | A | -2.2180 | |
| 86 | D | A | -3.4960 | |
| 87 | E | A | -3.6183 | |
| 88 | A | A | -2.6563 | |
| 89 | R | A | -3.3740 | |
| 90 | K | A | -3.4569 | |
| 91 | H | A | -2.7782 | |
| 92 | T | A | -1.8810 | |
| 93 | Y | A | 0.0000 | |
| 94 | N | A | -1.4883 | |
| 95 | L | A | 0.0000 | |
| 96 | T | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | W | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | R | A | -0.2734 | |
| 102 | M | A | -0.6057 | |
| 103 | G | A | -1.5115 | |
| 104 | D | A | -2.4799 | |
| 105 | N | A | -2.0495 | |
| 106 | C | A | -1.2370 | |
| 107 | A | A | 0.0000 | |
| 108 | I | A | 0.2582 | |
| 109 | P | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | E | A | -1.6067 | |
| 118 | C | A | 0.0000 | |
| 119 | P | A | -1.6014 | |
| 120 | Y | A | -2.0832 | |
| 121 | N | A | -2.1903 | |
| 122 | K | A | -2.2893 | |
| 123 | S | A | 0.0000 | |
| 124 | L | A | -0.5501 | |
| 125 | G | A | 0.2907 | |
| 126 | V | A | 0.6736 | |
| 127 | C | A | 0.0000 | |
| 128 | P | A | -0.5052 | |
| 129 | I | A | -0.3539 | |
| 130 | R | A | -0.4158 | |
| 131 | T | A | 0.0000 | |
| 132 | Q | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | R | A | 0.0000 | |
| 135 | W | A | 0.0000 | |
| 136 | S | A | 0.4210 | |
| 137 | Y | A | 0.3099 | |
| 138 | Y | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | S | A | -0.1040 | |
| 141 | F | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | E | A | -0.5583 | |
| 147 | D | A | -0.5133 | |
| 148 | N | A | -0.3427 | |
| 149 | L | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | M | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | F | A | -1.3828 | |
| 159 | E | A | -0.5398 | |
| 160 | T | A | 0.0000 | |
| 161 | A | A | -0.8201 | |
| 162 | G | A | -0.4484 | |
| 163 | T | A | -0.1881 | |
| 164 | Y | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | R | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | K | A | -1.0223 | |
| 170 | I | A | 0.0000 | |
| 171 | N | A | -2.0816 | |
| 172 | D | A | -2.3736 | |
| 173 | W | A | -1.0802 | |
| 174 | T | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | Q | A | -0.0281 | |
| 179 | F | A | 0.0000 | |
| 180 | I | A | 0.3054 | |
| 181 | L | A | 0.0000 | |
| 182 | E | A | -1.5737 | |
| 183 | H | A | -2.5916 | |
| 184 | R | A | -3.1778 | |
| 185 | A | A | -2.4352 | |
| 186 | R | A | -2.5627 | |
| 187 | A | A | -1.5432 | |
| 188 | S | A | -0.9139 | |
| 189 | C | A | 0.0000 | |
| 190 | K | A | -1.5961 | |
| 191 | Y | A | -0.6552 | |
| 192 | A | A | -0.3301 | |
| 193 | L | A | -0.3021 | |
| 194 | P | A | -0.4644 | |
| 195 | L | A | -0.6237 | |
| 196 | R | A | -1.4895 | |
| 197 | I | A | -0.3563 | |
| 198 | P | A | -0.3347 | |
| 199 | P | A | -0.2882 | |
| 200 | A | A | 0.1673 | |
| 201 | A | A | 0.3343 | |
| 202 | C | A | -0.2153 | |
| 203 | L | A | -0.3127 | |
| 204 | T | A | -1.1179 | |
| 205 | S | A | -1.4013 | |
| 206 | K | A | -2.3551 | |
| 207 | A | A | -1.5801 | |
| 208 | Y | A | 0.0000 | |
| 209 | Q | A | -2.4090 | |
| 210 | Q | A | -2.3165 | |
| 211 | G | A | -1.4705 | |
| 212 | V | A | -0.9294 | |
| 213 | T | A | -0.9041 | |
| 214 | V | A | 0.0000 | |
| 215 | D | A | -1.6887 | |
| 216 | S | A | -0.9007 | |
| 217 | I | A | -0.0800 | |
| 218 | G | A | -0.5577 | |
| 219 | M | A | 0.0000 | |
| 220 | L | A | 0.3816 | |
| 221 | P | A | 0.0000 | |
| 222 | R | A | -0.3067 | |
| 223 | F | A | -0.0253 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | E | A | -0.8782 | |
| 227 | N | A | 0.0000 | |
| 228 | Q | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | S | A | -0.2339 | |
| 236 | L | A | 0.0000 | |
| 237 | K | A | -0.5205 | |
| 238 | I | A | 0.0471 | |
| 239 | A | A | 0.0066 | |
| 240 | G | A | -0.4959 | |
| 241 | W | A | 0.0000 | |
| 242 | H | A | -0.8892 | |
| 243 | G | A | 0.0000 | |
| 244 | P | A | -0.7515 | |
| 245 | K | A | -1.3843 | |
| 246 | P | A | -0.9780 | |
| 247 | P | A | -0.7924 | |
| 248 | Y | A | 0.0000 | |
| 249 | T | A | -0.0993 | |
| 250 | S | A | 0.2031 | |
| 251 | T | A | 0.2621 | |
| 252 | L | A | 0.3615 | |
| 253 | L | A | 0.3301 | |
| 254 | P | A | -0.2091 | |
| 255 | P | A | -1.1579 | |
| 256 | E | A | -1.6042 | |
| 257 | L | A | 0.1824 | |
| 258 | S | A | -0.9397 | |
| 259 | D | A | -1.9662 | |
| 260 | T | A | -1.4262 | |
| 261 | T | A | -1.3158 | |
| 262 | N | A | -1.9160 | |
| 263 | A | A | 0.0000 | |
| 264 | T | A | -1.2727 | |
| 265 | Q | A | -1.1440 | |
| 266 | P | A | 0.0000 | |
| 267 | E | A | -1.2589 | |
| 268 | L | A | 0.1987 | |
| 269 | V | A | -0.1504 | |
| 270 | P | A | -0.7633 | |
| 271 | E | A | -1.9497 | |
| 272 | D | A | 0.0000 | |
| 273 | P | A | -1.6466 | |
| 274 | E | A | -2.5024 | |
| 275 | D | A | -1.5421 | |
| 276 | S | A | -0.6719 | |
| 277 | A | A | -0.6006 | |
| 278 | L | A | -0.6598 | |
| 279 | L | A | 0.0000 | |
| 280 | E | A | -1.9669 | |
| 281 | D | A | -1.3167 | |
| 282 | P | A | -0.7770 | |
| 283 | A | A | -0.4654 | |
| 284 | G | A | 0.0608 | |
| 285 | T | A | -0.1146 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | S | A | 0.0000 | |
| 289 | Q | A | 0.0000 | |
| 290 | I | A | -0.2916 | |
| 291 | P | A | 0.0000 | |
| 292 | P | A | -0.9525 | |
| 293 | N | A | -1.1912 | |
| 294 | W | A | -0.5396 | |
| 295 | H | A | -0.9282 | |
| 296 | I | A | -0.0207 | |
| 297 | P | A | -0.0265 | |
| 298 | S | A | -0.1019 | |
| 299 | I | A | 0.9739 | |
| 300 | Q | A | -0.7090 | |
| 301 | D | A | -1.0310 | |
| 302 | V | A | 0.8190 | |
| 303 | A | A | 0.2522 | |
| 304 | P | A | 0.0116 |
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