| Chain sequence(s) |
A: MTIKVGINGFGRIGRVLFRLAQKRSDIEIIAINDLLAPEYIAYMLKYDSTHGVFKKHITFDKDNIIINGKNIRVTSIKDPEKLMWHDLSIDVVIESTGLFLKREQAYKHILAGSKKVVVTGPSKDDIPMFVRGANFHKYQGESIVSNASCTTNCLAPLSKVIDDNFGIIEGLMTTVHASTATQKIVDGASDKDWRGGRGALQNIIPSSTGAAIAVGKVLPNLNGKLTGMAFRVPVSNVSVVDLTVRYKKSATYSEICQKIQQASQKEMKGIMGYTEDEVVSTDFNGEELTSIFDAKAGLSLNKNFVKLIAWYDNETGYSSKVLDLVSLVSKK
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 (00:04:14)
[INFO] Main: Simulation completed successfully. (00:04:16)
|
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 | 0.6021 | |
| 2 | T | A | -0.4470 | |
| 3 | I | A | 0.0000 | |
| 4 | K | A | -1.2196 | |
| 5 | V | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | N | A | 0.0000 | |
| 9 | G | A | -0.0872 | |
| 10 | F | A | 0.0000 | |
| 11 | G | A | -0.3846 | |
| 12 | R | A | -0.3419 | |
| 13 | I | A | 0.0067 | |
| 14 | G | A | 0.0000 | |
| 15 | R | A | 0.0000 | |
| 16 | V | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | R | A | 0.0000 | |
| 20 | L | A | -0.7538 | |
| 21 | A | A | 0.0000 | |
| 22 | Q | A | -1.5808 | |
| 23 | K | A | -2.1282 | |
| 24 | R | A | -1.9002 | |
| 25 | S | A | -1.3400 | |
| 26 | D | A | -1.3211 | |
| 27 | I | A | 0.0000 | |
| 28 | E | A | -1.9952 | |
| 29 | I | A | 0.0000 | |
| 30 | I | A | -0.9412 | |
| 31 | A | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | N | A | 0.0000 | |
| 34 | D | A | 0.1528 | |
| 35 | L | A | 0.8959 | |
| 36 | L | A | 0.9029 | |
| 37 | A | A | -0.2027 | |
| 38 | P | A | 0.0000 | |
| 39 | E | A | -0.5613 | |
| 40 | Y | A | 1.0028 | |
| 41 | I | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | 1.6498 | |
| 44 | M | A | 1.1379 | |
| 45 | L | A | 0.0000 | |
| 46 | K | A | 0.4972 | |
| 47 | Y | A | 1.4749 | |
| 48 | D | A | 0.0000 | |
| 49 | S | A | 0.1734 | |
| 50 | T | A | -0.2292 | |
| 51 | H | A | -0.0773 | |
| 52 | G | A | 0.3567 | |
| 53 | V | A | 1.2700 | |
| 54 | F | A | 0.0000 | |
| 55 | K | A | -1.6053 | |
| 56 | K | A | -1.7732 | |
| 57 | H | A | -1.9402 | |
| 58 | I | A | -0.7115 | |
| 59 | T | A | -0.0968 | |
| 60 | F | A | 0.4203 | |
| 61 | D | A | -1.7628 | |
| 62 | K | A | -2.8633 | |
| 63 | D | A | -3.0231 | |
| 64 | N | A | -2.0164 | |
| 65 | I | A | 0.0000 | |
| 66 | I | A | -1.1279 | |
| 67 | I | A | 0.0000 | |
| 68 | N | A | -2.3418 | |
| 69 | G | A | -1.9881 | |
| 70 | K | A | -2.7853 | |
| 71 | N | A | -2.4146 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -1.5281 | |
| 74 | V | A | 0.0000 | |
| 75 | T | A | -0.3006 | |
| 76 | S | A | -0.1331 | |
| 77 | I | A | -0.9009 | |
| 78 | K | A | -2.3053 | |
| 79 | D | A | -2.9942 | |
| 80 | P | A | 0.0000 | |
| 81 | E | A | -2.1610 | |
| 82 | K | A | -2.4271 | |
| 83 | L | A | 0.0000 | |
| 84 | M | A | -0.5269 | |
| 85 | W | A | 0.0000 | |
| 86 | H | A | -1.6078 | |
| 87 | D | A | -1.9553 | |
| 88 | L | A | -0.9963 | |
| 89 | S | A | -1.3079 | |
| 90 | I | A | 0.0000 | |
| 91 | D | A | -1.2093 | |
| 92 | V | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | 0.0000 | |
| 96 | S | A | 0.0765 | |
| 97 | T | A | 0.2037 | |
| 98 | G | A | 0.3238 | |
| 99 | L | A | 1.2541 | |
| 100 | F | A | -0.2126 | |
| 101 | L | A | -1.0369 | |
| 102 | K | A | -2.7403 | |
| 103 | R | A | -3.1645 | |
| 104 | E | A | -2.8227 | |
| 105 | Q | A | -1.9367 | |
| 106 | A | A | 0.0000 | |
| 107 | Y | A | -0.8358 | |
| 108 | K | A | -1.3972 | |
| 109 | H | A | 0.0000 | |
| 110 | I | A | 0.1806 | |
| 111 | L | A | 0.7099 | |
| 112 | A | A | 0.0000 | |
| 113 | G | A | -0.8909 | |
| 114 | S | A | 0.0000 | |
| 115 | K | A | -1.7893 | |
| 116 | K | A | -1.2351 | |
| 117 | V | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | -0.0447 | |
| 121 | G | A | -0.1812 | |
| 122 | P | A | -0.7711 | |
| 123 | S | A | -1.7852 | |
| 124 | K | A | -2.7140 | |
| 125 | D | A | -2.8699 | |
| 126 | D | A | -2.7463 | |
| 127 | I | A | 0.0000 | |
| 128 | P | A | -1.1929 | |
| 129 | M | A | -0.5100 | |
| 130 | F | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | R | A | -0.9379 | |
| 133 | G | A | -1.1530 | |
| 134 | A | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | F | A | -1.1499 | |
| 137 | H | A | -1.9531 | |
| 138 | K | A | -2.4361 | |
| 139 | Y | A | 0.0000 | |
| 140 | Q | A | -2.2294 | |
| 141 | G | A | -1.8844 | |
| 142 | E | A | -1.0544 | |
| 143 | S | A | -1.0981 | |
| 144 | I | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | S | A | -0.0708 | |
| 150 | C | A | 0.0632 | |
| 151 | T | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | N | A | 0.0000 | |
| 154 | C | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | K | A | -1.1679 | |
| 161 | V | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | D | A | -1.8556 | |
| 164 | D | A | -2.3096 | |
| 165 | N | A | -1.9622 | |
| 166 | F | A | 0.0000 | |
| 167 | G | A | -2.1096 | |
| 168 | I | A | 0.0000 | |
| 169 | I | A | -1.3224 | |
| 170 | E | A | -1.8057 | |
| 171 | G | A | -0.5952 | |
| 172 | L | A | 0.3653 | |
| 173 | M | A | 0.0000 | |
| 174 | T | A | 0.4562 | |
| 175 | T | A | 0.0000 | |
| 176 | V | A | 1.2798 | |
| 177 | H | A | 0.6823 | |
| 178 | A | A | 0.0000 | |
| 179 | S | A | 0.3686 | |
| 180 | T | A | -0.2989 | |
| 181 | A | A | -0.0690 | |
| 182 | T | A | -0.8565 | |
| 183 | Q | A | -0.4251 | |
| 184 | K | A | 0.1840 | |
| 185 | I | A | 2.1295 | |
| 186 | V | A | 1.4478 | |
| 187 | D | A | -1.2300 | |
| 188 | G | A | -0.7263 | |
| 189 | A | A | -1.1852 | |
| 190 | S | A | -2.1603 | |
| 191 | D | A | -2.7818 | |
| 192 | K | A | -3.0746 | |
| 193 | D | A | -2.3285 | |
| 194 | W | A | -0.7861 | |
| 195 | R | A | -1.0665 | |
| 196 | G | A | -1.8098 | |
| 197 | G | A | 0.0000 | |
| 198 | R | A | -0.8768 | |
| 199 | G | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | 1.7649 | |
| 202 | Q | A | 0.0077 | |
| 203 | N | A | 0.2763 | |
| 204 | I | A | 1.8259 | |
| 205 | I | A | 0.0000 | |
| 206 | P | A | 0.4514 | |
| 207 | S | A | -0.0421 | |
| 208 | S | A | -0.3538 | |
| 209 | T | A | 0.0154 | |
| 210 | G | A | 0.0398 | |
| 211 | A | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | I | A | 0.6503 | |
| 214 | A | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | K | A | -1.9329 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | P | A | -1.8323 | |
| 221 | N | A | -2.1561 | |
| 222 | L | A | 0.0000 | |
| 223 | N | A | -2.3000 | |
| 224 | G | A | -1.5553 | |
| 225 | K | A | -1.5093 | |
| 226 | L | A | 0.0000 | |
| 227 | T | A | 0.2180 | |
| 228 | G | A | 0.4805 | |
| 229 | M | A | 0.4057 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 1.2261 | |
| 232 | R | A | 0.6636 | |
| 233 | V | A | 1.1112 | |
| 234 | P | A | 0.6522 | |
| 235 | V | A | 0.7368 | |
| 236 | S | A | 0.0980 | |
| 237 | N | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | V | A | 0.6437 | |
| 241 | V | A | 0.0000 | |
| 242 | D | A | -0.0442 | |
| 243 | L | A | 0.0000 | |
| 244 | T | A | -0.0995 | |
| 245 | V | A | 0.0000 | |
| 246 | R | A | -2.0330 | |
| 247 | Y | A | 0.0000 | |
| 248 | K | A | -3.0573 | |
| 249 | K | A | -3.0584 | |
| 250 | S | A | -2.4521 | |
| 251 | A | A | 0.0000 | |
| 252 | T | A | -0.9868 | |
| 253 | Y | A | -0.4924 | |
| 254 | S | A | -1.0075 | |
| 255 | E | A | -2.1035 | |
| 256 | I | A | 0.0000 | |
| 257 | C | A | 0.0000 | |
| 258 | Q | A | -1.9377 | |
| 259 | K | A | -1.9156 | |
| 260 | I | A | 0.0000 | |
| 261 | Q | A | -1.9671 | |
| 262 | Q | A | -2.5599 | |
| 263 | A | A | 0.0000 | |
| 264 | S | A | -2.6628 | |
| 265 | Q | A | -3.3210 | |
| 266 | K | A | -3.9737 | |
| 267 | E | A | -3.5331 | |
| 268 | M | A | 0.0000 | |
| 269 | K | A | -3.3635 | |
| 270 | G | A | -1.9103 | |
| 271 | I | A | 0.0000 | |
| 272 | M | A | 0.0000 | |
| 273 | G | A | -0.7096 | |
| 274 | Y | A | -0.8460 | |
| 275 | T | A | -1.9181 | |
| 276 | E | A | -3.4934 | |
| 277 | D | A | -3.5317 | |
| 278 | E | A | -3.1047 | |
| 279 | V | A | -1.2851 | |
| 280 | V | A | 0.7631 | |
| 281 | S | A | 0.2659 | |
| 282 | T | A | -0.6375 | |
| 283 | D | A | -1.7829 | |
| 284 | F | A | 0.0000 | |
| 285 | N | A | -1.9373 | |
| 286 | G | A | -1.7086 | |
| 287 | E | A | -1.8158 | |
| 288 | E | A | -1.7507 | |
| 289 | L | A | -0.9129 | |
| 290 | T | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | K | A | -2.5775 | |
| 297 | A | A | -1.2043 | |
| 298 | G | A | 0.0244 | |
| 299 | L | A | 1.2625 | |
| 300 | S | A | 0.6057 | |
| 301 | L | A | 0.9634 | |
| 302 | N | A | -1.1817 | |
| 303 | K | A | -2.5714 | |
| 304 | N | A | -1.9666 | |
| 305 | F | A | -0.5962 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | 0.3256 | |
| 308 | L | A | 0.0000 | |
| 309 | I | A | -0.0083 | |
| 310 | A | A | 0.0000 | |
| 311 | W | A | 0.3776 | |
| 312 | Y | A | 0.0000 | |
| 313 | D | A | 0.0000 | |
| 314 | N | A | 0.0000 | |
| 315 | E | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | Y | A | 0.0000 | |
| 319 | S | A | 0.0000 | |
| 320 | S | A | 0.0000 | |
| 321 | K | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | D | A | -0.2483 | |
| 325 | L | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | S | A | -0.6825 | |
| 328 | L | A | -0.7302 | |
| 329 | V | A | 0.0000 | |
| 330 | S | A | -1.6451 | |
| 331 | K | A | -2.3664 | |
| 332 | K | A | -2.8087 |
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