| Chain sequence(s) |
A: MLHTTQLYQHVPETRWPIVYSPRYNITFMGLEKLHPFDAGKWGKVINFLKEEKLLSDSMLVEAREASEEDLLVVHTRRYLNELKWSFAVATITEIPPVIFLPNFLVQRKVLRPLRTQTGGTIMAGKLAVERGWAINVGGGFHHCSSDRGGGFCAYADITLAIKFLFERVEGISRATIIDLDAHQGNGHERDFMDDKRVYIMDVYNRHIYPGDRFAKQAIRRKVELEWGTEDDEYLDKVERNIKKSLQEHLPDVVVYNAGTDILEGDRLGGLSISPAGIVKRDELVFRMVRGRRVPILMVTSGGYQKRTARIIADSILNLFGLGLIGPESPSVSAQNSDTPLLPPAVP
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] (00:00:08)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:08)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:08)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:08)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:02)
[INFO] Main: Simulation completed successfully. (00:05:04)
|
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 | 1.3178 | |
| 2 | L | A | 0.7403 | |
| 3 | H | A | 0.1626 | |
| 4 | T | A | -0.1352 | |
| 5 | T | A | -0.4022 | |
| 6 | Q | A | -0.7404 | |
| 7 | L | A | 0.0000 | |
| 8 | Y | A | -0.5182 | |
| 9 | Q | A | -1.0567 | |
| 10 | H | A | -1.3240 | |
| 11 | V | A | 0.0000 | |
| 12 | P | A | -1.3358 | |
| 13 | E | A | -2.2755 | |
| 14 | T | A | -1.1150 | |
| 15 | R | A | -1.1176 | |
| 16 | W | A | -0.6223 | |
| 17 | P | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | V | A | 0.0000 | |
| 20 | Y | A | 0.0000 | |
| 21 | S | A | 0.0000 | |
| 22 | P | A | -1.1069 | |
| 23 | R | A | -2.1236 | |
| 24 | Y | A | 0.0000 | |
| 25 | N | A | -1.1742 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | -0.4552 | |
| 28 | F | A | 0.4711 | |
| 29 | M | A | 1.0212 | |
| 30 | G | A | 0.2067 | |
| 31 | L | A | 0.0000 | |
| 32 | E | A | -0.6973 | |
| 33 | K | A | -1.1056 | |
| 34 | L | A | 0.4639 | |
| 35 | H | A | 0.0000 | |
| 36 | P | A | -0.7454 | |
| 37 | F | A | -0.5065 | |
| 38 | D | A | -1.8889 | |
| 39 | A | A | 0.0000 | |
| 40 | G | A | -1.3108 | |
| 41 | K | A | 0.0000 | |
| 42 | W | A | 0.0000 | |
| 43 | G | A | -1.3180 | |
| 44 | K | A | -2.3616 | |
| 45 | V | A | 0.0000 | |
| 46 | I | A | -1.6077 | |
| 47 | N | A | -2.8227 | |
| 48 | F | A | -2.3768 | |
| 49 | L | A | 0.0000 | |
| 50 | K | A | -3.9962 | |
| 51 | E | A | -3.8013 | |
| 52 | E | A | -3.5555 | |
| 53 | K | A | -3.4942 | |
| 54 | L | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | S | A | -2.0483 | |
| 57 | D | A | -2.3044 | |
| 58 | S | A | -1.1772 | |
| 59 | M | A | -0.9748 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | E | A | -1.6115 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -2.0391 | |
| 65 | E | A | -1.9988 | |
| 66 | A | A | 0.0000 | |
| 67 | S | A | -1.8010 | |
| 68 | E | A | -2.7059 | |
| 69 | E | A | -2.3170 | |
| 70 | D | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | L | A | -0.8561 | |
| 73 | V | A | -0.2491 | |
| 74 | V | A | -0.1744 | |
| 75 | H | A | 0.0000 | |
| 76 | T | A | -1.8272 | |
| 77 | R | A | -3.4618 | |
| 78 | R | A | -3.6148 | |
| 79 | Y | A | 0.0000 | |
| 80 | L | A | -2.6771 | |
| 81 | N | A | -2.9757 | |
| 82 | E | A | -2.5681 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -1.4207 | |
| 85 | W | A | 0.6317 | |
| 86 | S | A | 1.5863 | |
| 87 | F | A | 2.3163 | |
| 88 | A | A | 0.2187 | |
| 89 | V | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | T | A | -0.1693 | |
| 92 | I | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | E | A | -1.7295 | |
| 95 | I | A | 0.0000 | |
| 96 | P | A | 0.1079 | |
| 97 | P | A | 0.7772 | |
| 98 | V | A | 0.0000 | |
| 99 | I | A | 2.2011 | |
| 100 | F | A | 2.4131 | |
| 101 | L | A | 1.8006 | |
| 102 | P | A | 0.9656 | |
| 103 | N | A | 0.7991 | |
| 104 | F | A | 1.1783 | |
| 105 | L | A | 0.2250 | |
| 106 | V | A | 0.0000 | |
| 107 | Q | A | -0.9697 | |
| 108 | R | A | -1.8356 | |
| 109 | K | A | -1.4097 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | R | A | -2.0514 | |
| 113 | P | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | R | A | -1.3359 | |
| 116 | T | A | 0.0000 | |
| 117 | Q | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | G | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | G | A | 0.0000 | |
| 126 | K | A | -0.6987 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | -0.7078 | |
| 130 | E | A | -1.8103 | |
| 131 | R | A | -1.5790 | |
| 132 | G | A | 0.0000 | |
| 133 | W | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | N | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | F | A | 0.1810 | |
| 142 | H | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | S | A | -1.1168 | |
| 147 | D | A | -2.0428 | |
| 148 | R | A | -2.2946 | |
| 149 | G | A | -1.0070 | |
| 150 | G | A | -0.7738 | |
| 151 | G | A | -0.2329 | |
| 152 | F | A | -0.2223 | |
| 153 | C | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | D | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | K | A | -1.0947 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | F | A | -1.6196 | |
| 167 | E | A | -2.2419 | |
| 168 | R | A | -1.5663 | |
| 169 | V | A | -1.6733 | |
| 170 | E | A | -2.3161 | |
| 171 | G | A | -1.6833 | |
| 172 | I | A | 0.0000 | |
| 173 | S | A | -1.3809 | |
| 174 | R | A | -1.4052 | |
| 175 | A | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | D | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | Q | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | N | A | -0.4492 | |
| 187 | G | A | 0.0000 | |
| 188 | H | A | 0.0000 | |
| 189 | E | A | 0.0000 | |
| 190 | R | A | -0.9573 | |
| 191 | D | A | -0.9155 | |
| 192 | F | A | 0.0000 | |
| 193 | M | A | -1.3726 | |
| 194 | D | A | -2.7083 | |
| 195 | D | A | -2.3695 | |
| 196 | K | A | -2.7820 | |
| 197 | R | A | -2.1427 | |
| 198 | V | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | M | A | 0.0000 | |
| 202 | D | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | N | A | 0.0000 | |
| 206 | R | A | -2.0131 | |
| 207 | H | A | -1.5168 | |
| 208 | I | A | -0.2079 | |
| 209 | Y | A | 0.4145 | |
| 210 | P | A | -0.3382 | |
| 211 | G | A | -1.0163 | |
| 212 | D | A | -1.0182 | |
| 213 | R | A | -1.7011 | |
| 214 | F | A | -0.0470 | |
| 215 | A | A | 0.0000 | |
| 216 | K | A | -1.5642 | |
| 217 | Q | A | -1.9469 | |
| 218 | A | A | -1.7775 | |
| 219 | I | A | 0.0000 | |
| 220 | R | A | -2.6528 | |
| 221 | R | A | -2.0725 | |
| 222 | K | A | -2.0611 | |
| 223 | V | A | 0.0000 | |
| 224 | E | A | -1.8327 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.7763 | |
| 227 | W | A | -0.2337 | |
| 228 | G | A | -0.6834 | |
| 229 | T | A | 0.0000 | |
| 230 | E | A | -3.1763 | |
| 231 | D | A | -3.0480 | |
| 232 | D | A | -3.5886 | |
| 233 | E | A | -3.5730 | |
| 234 | Y | A | 0.0000 | |
| 235 | L | A | -2.4734 | |
| 236 | D | A | -2.9702 | |
| 237 | K | A | -2.5901 | |
| 238 | V | A | 0.0000 | |
| 239 | E | A | -2.3328 | |
| 240 | R | A | -3.2035 | |
| 241 | N | A | -2.5264 | |
| 242 | I | A | 0.0000 | |
| 243 | K | A | -2.7517 | |
| 244 | K | A | -2.5794 | |
| 245 | S | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | Q | A | -2.1121 | |
| 248 | E | A | -2.0107 | |
| 249 | H | A | 0.0000 | |
| 250 | L | A | -0.7852 | |
| 251 | P | A | 0.0000 | |
| 252 | D | A | -0.6665 | |
| 253 | V | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | E | A | -1.7272 | |
| 265 | G | A | -1.3770 | |
| 266 | D | A | 0.0000 | |
| 267 | R | A | -1.9472 | |
| 268 | L | A | -0.4854 | |
| 269 | G | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | S | A | -1.2626 | |
| 273 | I | A | 0.0000 | |
| 274 | S | A | -0.8852 | |
| 275 | P | A | -0.5493 | |
| 276 | A | A | -0.2839 | |
| 277 | G | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | V | A | -0.4439 | |
| 280 | K | A | -0.9147 | |
| 281 | R | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | E | A | -0.5512 | |
| 284 | L | A | -0.5429 | |
| 285 | V | A | 0.0000 | |
| 286 | F | A | 0.0000 | |
| 287 | R | A | -1.2306 | |
| 288 | M | A | -1.2981 | |
| 289 | V | A | 0.0000 | |
| 290 | R | A | 0.0000 | |
| 291 | G | A | -1.7188 | |
| 292 | R | A | -2.4800 | |
| 293 | R | A | -1.9623 | |
| 294 | V | A | 0.0000 | |
| 295 | P | A | -0.6715 | |
| 296 | I | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | 0.0000 | |
| 301 | S | A | 0.0311 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | Y | A | -0.9095 | |
| 305 | Q | A | -1.6557 | |
| 306 | K | A | -2.3891 | |
| 307 | R | A | -2.0577 | |
| 308 | T | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | R | A | -1.4951 | |
| 311 | I | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | D | A | -0.6836 | |
| 315 | S | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | L | A | -0.2421 | |
| 318 | N | A | -0.4389 | |
| 319 | L | A | 0.0000 | |
| 320 | F | A | 0.6476 | |
| 321 | G | A | 0.2137 | |
| 322 | L | A | 0.9786 | |
| 323 | G | A | 0.3686 | |
| 324 | L | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | G | A | -0.1970 | |
| 327 | P | A | -1.2057 | |
| 328 | E | A | -1.8683 | |
| 329 | S | A | -1.0026 | |
| 330 | P | A | -0.7402 | |
| 331 | S | A | -0.6097 | |
| 332 | V | A | -0.9858 | |
| 333 | S | A | -1.0976 | |
| 334 | A | A | -0.8061 | |
| 335 | Q | A | -1.8312 | |
| 336 | N | A | -2.0655 | |
| 337 | S | A | -1.8678 | |
| 338 | D | A | -2.6256 | |
| 339 | T | A | -1.4530 | |
| 340 | P | A | -1.4388 | |
| 341 | L | A | 0.0000 | |
| 342 | L | A | -0.4527 | |
| 343 | P | A | -0.2145 | |
| 344 | P | A | 0.1102 | |
| 345 | A | A | 0.8605 | |
| 346 | V | A | 1.7214 | |
| 347 | P | A | 0.5736 |
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