| Chain sequence(s) |
A: MGKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFGYGLQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSYQSALSKDPNEKRDHMVLLEFVTAAGITLGMDELYKSGLRSRAQASNSAVDGTAGPGSSGSGTSLYKKAGFTMLALAYLALAYLALAYLALAYLALAY
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 (00:04:07)
[INFO] Main: Simulation completed successfully. (00:04:09)
|
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 | -0.2532 | |
| 2 | G | A | -1.1700 | |
| 3 | K | A | -2.0924 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -1.3604 | |
| 6 | E | A | -2.0335 | |
| 7 | L | A | -0.8493 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.2873 | |
| 10 | G | A | 0.5506 | |
| 11 | V | A | 1.5174 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -0.7650 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.0717 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.9660 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.4267 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.9482 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -2.3329 | |
| 24 | G | A | -1.7840 | |
| 25 | H | A | -2.0905 | |
| 26 | K | A | -2.9697 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.7769 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.0835 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.2496 | |
| 33 | G | A | -1.6163 | |
| 34 | E | A | -1.0820 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.3617 | |
| 39 | Y | A | 1.1907 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | 0.2546 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.4545 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.3070 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.1103 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.7430 | |
| 50 | T | A | -1.3274 | |
| 51 | G | A | -1.6463 | |
| 52 | K | A | -2.2495 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.1932 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | -1.0252 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.5887 | |
| 76 | D | A | -2.5069 | |
| 77 | H | A | -1.6168 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.1990 | |
| 80 | Q | A | -1.9399 | |
| 81 | H | A | -1.2863 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -0.8363 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.4749 | |
| 90 | E | A | -2.1086 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.5993 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.1271 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -0.4354 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | 0.3993 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.0943 | |
| 102 | D | A | -2.7744 | |
| 103 | D | A | -2.4540 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -0.8875 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.0815 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -2.7850 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.7204 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.4233 | |
| 114 | F | A | 0.0000 | |
| 115 | E | A | -1.8549 | |
| 116 | G | A | -1.7999 | |
| 117 | D | A | -2.1913 | |
| 118 | T | A | -1.4324 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.3383 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.9134 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -3.2814 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.5213 | |
| 129 | D | A | -2.3923 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9607 | |
| 132 | E | A | -3.9651 | |
| 133 | D | A | -3.5397 | |
| 134 | G | A | -2.8476 | |
| 135 | N | A | -2.2208 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -2.0443 | |
| 138 | G | A | -2.2796 | |
| 139 | H | A | -1.9745 | |
| 140 | K | A | -2.4287 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -1.7318 | |
| 143 | Y | A | -0.6834 | |
| 144 | N | A | -0.6343 | |
| 145 | Y | A | -0.7158 | |
| 146 | N | A | -0.9452 | |
| 147 | S | A | -0.9346 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -1.3457 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | 0.2798 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | -0.6212 | |
| 154 | A | A | -1.4579 | |
| 155 | D | A | 0.0000 | |
| 156 | K | A | -3.0733 | |
| 157 | Q | A | -3.0388 | |
| 158 | K | A | -3.1961 | |
| 159 | N | A | -2.7906 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | -0.8507 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -0.4492 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -1.2681 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -1.0514 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -1.2728 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.2497 | |
| 173 | D | A | -2.9905 | |
| 174 | G | A | -1.8338 | |
| 175 | S | A | -0.7795 | |
| 176 | V | A | 0.0930 | |
| 177 | Q | A | 0.0000 | |
| 178 | L | A | -0.6166 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.4266 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.3569 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -1.0206 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.7484 | |
| 187 | P | A | -0.8139 | |
| 188 | I | A | -0.1797 | |
| 189 | G | A | -1.1957 | |
| 190 | D | A | -2.1424 | |
| 191 | G | A | -1.3537 | |
| 192 | P | A | -0.6914 | |
| 193 | V | A | -0.2539 | |
| 194 | L | A | -0.0694 | |
| 195 | L | A | -0.5210 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.1036 | |
| 198 | N | A | -1.2898 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | -0.0084 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.5940 | |
| 203 | Y | A | 0.0000 | |
| 204 | Q | A | -0.9851 | |
| 205 | S | A | -0.2510 | |
| 206 | A | A | 0.1275 | |
| 207 | L | A | -0.0316 | |
| 208 | S | A | -0.6871 | |
| 209 | K | A | -1.8554 | |
| 210 | D | A | -1.9956 | |
| 211 | P | A | -1.7365 | |
| 212 | N | A | -2.4017 | |
| 213 | E | A | -2.5744 | |
| 214 | K | A | -3.1768 | |
| 215 | R | A | -3.1716 | |
| 216 | D | A | -2.1490 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.4456 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.5805 | |
| 222 | E | A | 0.0000 | |
| 223 | F | A | 0.8057 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.2958 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.2881 | |
| 228 | G | A | -0.3878 | |
| 229 | I | A | -0.2805 | |
| 230 | T | A | 0.2081 | |
| 231 | L | A | 0.2402 | |
| 232 | G | A | -0.0960 | |
| 233 | M | A | 0.3037 | |
| 234 | D | A | -1.4386 | |
| 235 | E | A | -1.2186 | |
| 236 | L | A | 0.3543 | |
| 237 | Y | A | 0.3492 | |
| 238 | K | A | -1.5525 | |
| 239 | S | A | -1.1605 | |
| 240 | G | A | -0.9284 | |
| 241 | L | A | -1.1219 | |
| 242 | R | A | -2.6089 | |
| 243 | S | A | -2.3966 | |
| 244 | R | A | -3.0020 | |
| 245 | A | A | -2.3621 | |
| 246 | Q | A | -2.7363 | |
| 247 | A | A | -1.7275 | |
| 248 | S | A | -1.6947 | |
| 249 | N | A | -1.8402 | |
| 250 | S | A | -1.1342 | |
| 251 | A | A | -0.4889 | |
| 252 | V | A | 0.2967 | |
| 253 | D | A | -1.4613 | |
| 254 | G | A | -0.8674 | |
| 255 | T | A | -0.4848 | |
| 256 | A | A | -0.4065 | |
| 257 | G | A | -0.7272 | |
| 258 | P | A | -0.7330 | |
| 259 | G | A | -0.8282 | |
| 260 | S | A | -0.7024 | |
| 261 | S | A | -0.7202 | |
| 262 | G | A | -0.8188 | |
| 263 | S | A | -0.5304 | |
| 264 | G | A | -0.1339 | |
| 265 | T | A | -0.2354 | |
| 266 | S | A | -0.1961 | |
| 267 | L | A | 0.6967 | |
| 268 | Y | A | 0.6867 | |
| 269 | K | A | -1.1598 | |
| 270 | K | A | -1.0174 | |
| 271 | A | A | 0.3601 | |
| 272 | G | A | 0.7162 | |
| 273 | F | A | 1.9184 | |
| 274 | T | A | 1.4262 | |
| 275 | M | A | 2.6819 | |
| 276 | L | A | 3.2724 | |
| 277 | A | A | 2.8106 | |
| 278 | L | A | 3.4029 | |
| 279 | A | A | 2.7671 | |
| 280 | Y | A | 3.5857 | |
| 281 | L | A | 3.4674 | |
| 282 | A | A | 2.9792 | |
| 283 | L | A | 3.6329 | |
| 284 | A | A | 3.0711 | |
| 285 | Y | A | 3.7157 | |
| 286 | L | A | 3.6853 | |
| 287 | A | A | 3.0266 | |
| 288 | L | A | 3.6664 | |
| 289 | A | A | 3.2436 | |
| 290 | Y | A | 3.6951 | |
| 291 | L | A | 3.5940 | |
| 292 | A | A | 3.0369 | |
| 293 | L | A | 3.6589 | |
| 294 | A | A | 3.0806 | |
| 295 | Y | A | 3.5733 | |
| 296 | L | A | 3.4700 | |
| 297 | A | A | 2.6937 | |
| 298 | L | A | 3.0290 | |
| 299 | A | A | 2.1740 | |
| 300 | Y | A | 2.2295 |
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