| Chain sequence(s) |
A: GTKAGTVIWNGSFNNYPTVSTFDNWSWSNEVGAYQWYIHGSQPTSHYLALDPSFKNPADTSEVNGLRMTIDSTATWNSQMERVELIPQTNQNLGTGNLFYHFSIMQNGVNPPDPTLEHQIFFFESHFTQLKYGVGPNPSDLQWMVGSNTLWSAPFTAGTWFNFAYDIDFSAGTVGLWASTGSAPLTKVVQNVAGSPSTNSEDFHVGILRIVNGPGQEDYYVSGVYIESGPITTAIGNGSVSAPPPPPPTTTTGPTSVSSHSSTSTVVSSSSPAPGPQQSQYGQCGGTGYTGPTTCASPFTCKAISPPYYYQCL
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 (00:01:59)
[INFO] Main: Simulation completed successfully. (00:02:02)
|
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 | G | A | -0.9697 | |
| 2 | T | A | -1.1344 | |
| 3 | K | A | -1.9222 | |
| 4 | A | A | -0.8283 | |
| 5 | G | A | -0.3064 | |
| 6 | T | A | 0.2726 | |
| 7 | V | A | 0.9880 | |
| 8 | I | A | 0.0618 | |
| 9 | W | A | 0.0000 | |
| 10 | N | A | -0.9914 | |
| 11 | G | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | N | A | -1.1077 | |
| 15 | N | A | -1.8155 | |
| 16 | Y | A | 0.0000 | |
| 17 | P | A | -0.6731 | |
| 18 | T | A | -0.6354 | |
| 19 | V | A | -0.4199 | |
| 20 | S | A | -1.0880 | |
| 21 | T | A | -1.2510 | |
| 22 | F | A | 0.0000 | |
| 23 | D | A | -2.3525 | |
| 24 | N | A | -2.4486 | |
| 25 | W | A | 0.0000 | |
| 26 | S | A | -0.8379 | |
| 27 | W | A | 0.4682 | |
| 28 | S | A | -0.3888 | |
| 29 | N | A | -1.4330 | |
| 30 | E | A | -1.5970 | |
| 31 | V | A | -0.6671 | |
| 32 | G | A | -0.9001 | |
| 33 | A | A | -0.7223 | |
| 34 | Y | A | 0.0000 | |
| 35 | Q | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.0994 | |
| 38 | I | A | 0.0000 | |
| 39 | H | A | -0.4656 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | -0.6243 | |
| 42 | Q | A | -1.0079 | |
| 43 | P | A | -0.9856 | |
| 44 | T | A | 0.0000 | |
| 45 | S | A | -0.5019 | |
| 46 | H | A | -0.5698 | |
| 47 | Y | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | -0.2608 | |
| 50 | L | A | -0.2605 | |
| 51 | D | A | -0.6588 | |
| 52 | P | A | -0.2154 | |
| 53 | S | A | -0.3768 | |
| 54 | F | A | -0.2325 | |
| 55 | K | A | -0.1939 | |
| 56 | N | A | 0.0000 | |
| 57 | P | A | -0.2555 | |
| 58 | A | A | -0.2535 | |
| 59 | D | A | 0.0000 | |
| 60 | T | A | -0.3549 | |
| 61 | S | A | -0.2898 | |
| 62 | E | A | 0.0000 | |
| 63 | V | A | 0.9804 | |
| 64 | N | A | -0.1604 | |
| 65 | G | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | R | A | -0.5531 | |
| 68 | M | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | S | A | -0.7239 | |
| 73 | T | A | -0.6664 | |
| 74 | A | A | 0.0000 | |
| 75 | T | A | -0.8710 | |
| 76 | W | A | -0.7128 | |
| 77 | N | A | -1.3459 | |
| 78 | S | A | -1.1024 | |
| 79 | Q | A | -1.5647 | |
| 80 | M | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | R | A | -0.5538 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | Q | A | -1.1338 | |
| 89 | T | A | -1.6908 | |
| 90 | N | A | -2.2038 | |
| 91 | Q | A | -2.2976 | |
| 92 | N | A | -2.4602 | |
| 93 | L | A | 0.0000 | |
| 94 | G | A | -1.2366 | |
| 95 | T | A | -0.8172 | |
| 96 | G | A | -0.7344 | |
| 97 | N | A | -0.8068 | |
| 98 | L | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | H | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | S | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | M | A | 0.0000 | |
| 106 | Q | A | 0.0000 | |
| 107 | N | A | -0.5568 | |
| 108 | G | A | -0.1294 | |
| 109 | V | A | 0.9116 | |
| 110 | N | A | -0.4056 | |
| 111 | P | A | -0.5237 | |
| 112 | P | A | 0.0000 | |
| 113 | D | A | -1.0337 | |
| 114 | P | A | -0.7615 | |
| 115 | T | A | -0.3359 | |
| 116 | L | A | -0.0541 | |
| 117 | E | A | -0.1830 | |
| 118 | H | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | E | A | -1.7989 | |
| 125 | S | A | -1.1428 | |
| 126 | H | A | -0.9796 | |
| 127 | F | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | Q | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | -0.2977 | |
| 132 | Y | A | 0.0000 | |
| 133 | G | A | -0.6851 | |
| 134 | V | A | -0.5751 | |
| 135 | G | A | -1.1243 | |
| 136 | P | A | -1.1629 | |
| 137 | N | A | -1.7025 | |
| 138 | P | A | -1.1798 | |
| 139 | S | A | -0.9566 | |
| 140 | D | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | W | A | 0.0000 | |
| 144 | M | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | G | A | -0.9080 | |
| 147 | S | A | -0.9542 | |
| 148 | N | A | -1.3215 | |
| 149 | T | A | -0.5684 | |
| 150 | L | A | 0.1551 | |
| 151 | W | A | 0.3262 | |
| 152 | S | A | -0.2629 | |
| 153 | A | A | -0.3412 | |
| 154 | P | A | -0.5564 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | -0.4173 | |
| 157 | A | A | -0.4101 | |
| 158 | G | A | -0.6663 | |
| 159 | T | A | -0.4646 | |
| 160 | W | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | N | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | Y | A | 0.0000 | |
| 166 | D | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | D | A | -0.6559 | |
| 169 | F | A | -0.3804 | |
| 170 | S | A | -0.4225 | |
| 171 | A | A | -0.2578 | |
| 172 | G | A | -0.3308 | |
| 173 | T | A | -0.3673 | |
| 174 | V | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | W | A | -0.1564 | |
| 178 | A | A | 0.0000 | |
| 179 | S | A | -0.1040 | |
| 180 | T | A | -0.1528 | |
| 181 | G | A | -0.1314 | |
| 182 | S | A | 0.0484 | |
| 183 | A | A | 0.1540 | |
| 184 | P | A | -0.0899 | |
| 185 | L | A | 0.0000 | |
| 186 | T | A | -0.2661 | |
| 187 | K | A | -0.7506 | |
| 188 | V | A | 0.1569 | |
| 189 | V | A | 0.0000 | |
| 190 | Q | A | -1.2216 | |
| 191 | N | A | -0.8285 | |
| 192 | V | A | -0.0784 | |
| 193 | A | A | -0.0026 | |
| 194 | G | A | -0.2370 | |
| 195 | S | A | -0.3466 | |
| 196 | P | A | 0.0000 | |
| 197 | S | A | -0.8403 | |
| 198 | T | A | -1.4323 | |
| 199 | N | A | -2.0900 | |
| 200 | S | A | -2.0072 | |
| 201 | E | A | -1.9974 | |
| 202 | D | A | -1.5514 | |
| 203 | F | A | 0.0000 | |
| 204 | H | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | V | A | -0.0305 | |
| 212 | N | A | -0.7061 | |
| 213 | G | A | -0.6273 | |
| 214 | P | A | -0.7017 | |
| 215 | G | A | -1.0909 | |
| 216 | Q | A | -1.1118 | |
| 217 | E | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -0.2680 | |
| 224 | V | A | 0.0000 | |
| 225 | Y | A | -0.0078 | |
| 226 | I | A | 0.0000 | |
| 227 | E | A | 0.0000 | |
| 228 | S | A | -0.0391 | |
| 229 | G | A | -0.5657 | |
| 230 | P | A | -0.7584 | |
| 231 | I | A | -0.2965 | |
| 232 | T | A | -0.1905 | |
| 233 | T | A | -0.1652 | |
| 234 | A | A | -0.2422 | |
| 235 | I | A | -0.2755 | |
| 236 | G | A | -0.7835 | |
| 237 | N | A | -1.3190 | |
| 238 | G | A | -0.5799 | |
| 239 | S | A | 0.0473 | |
| 240 | V | A | 1.2697 | |
| 241 | S | A | 0.4352 | |
| 242 | A | A | 0.1588 | |
| 243 | P | A | -0.3003 | |
| 244 | P | A | -0.6154 | |
| 245 | P | A | -0.6541 | |
| 246 | P | A | -0.7272 | |
| 247 | P | A | -0.6262 | |
| 248 | P | A | -0.5360 | |
| 249 | T | A | -0.3618 | |
| 250 | T | A | -0.3097 | |
| 251 | T | A | -0.3433 | |
| 252 | T | A | -0.4255 | |
| 253 | G | A | -0.6898 | |
| 254 | P | A | -0.3886 | |
| 255 | T | A | -0.0066 | |
| 256 | S | A | 0.4168 | |
| 257 | V | A | 1.3633 | |
| 258 | S | A | 0.2336 | |
| 259 | S | A | -0.4832 | |
| 260 | H | A | -1.1136 | |
| 261 | S | A | -0.9109 | |
| 262 | S | A | -0.6691 | |
| 263 | T | A | -0.4447 | |
| 264 | S | A | 0.2582 | |
| 265 | T | A | 1.0725 | |
| 266 | V | A | 2.4685 | |
| 267 | V | A | 2.4112 | |
| 268 | S | A | 0.9079 | |
| 269 | S | A | 0.0965 | |
| 270 | S | A | -0.3379 | |
| 271 | S | A | -0.5089 | |
| 272 | P | A | -0.5319 | |
| 273 | A | A | -0.3633 | |
| 274 | P | A | -0.7618 | |
| 275 | G | A | -1.0336 | |
| 276 | P | A | -1.1905 | |
| 277 | Q | A | -1.7474 | |
| 278 | Q | A | -0.9682 | |
| 279 | S | A | -0.6780 | |
| 280 | Q | A | -0.1727 | |
| 281 | Y | A | 0.5514 | |
| 282 | G | A | -0.1371 | |
| 283 | Q | A | 0.0000 | |
| 284 | C | A | 0.0000 | |
| 285 | G | A | -0.1162 | |
| 286 | G | A | 0.1532 | |
| 287 | T | A | -0.0578 | |
| 288 | G | A | -0.5310 | |
| 289 | Y | A | -0.2998 | |
| 290 | T | A | -0.4047 | |
| 291 | G | A | -0.7341 | |
| 292 | P | A | -0.7871 | |
| 293 | T | A | -0.4896 | |
| 294 | T | A | -0.6960 | |
| 295 | C | A | -0.5451 | |
| 296 | A | A | -0.6090 | |
| 297 | S | A | -0.4173 | |
| 298 | P | A | -0.1407 | |
| 299 | F | A | 0.2746 | |
| 300 | T | A | 0.0130 | |
| 301 | C | A | -0.0406 | |
| 302 | K | A | -0.7165 | |
| 303 | A | A | 0.0181 | |
| 304 | I | A | 0.9097 | |
| 305 | S | A | 0.3735 | |
| 306 | P | A | 0.0019 | |
| 307 | P | A | 0.0420 | |
| 308 | Y | A | 0.6668 | |
| 309 | Y | A | 0.0000 | |
| 310 | Y | A | 0.4523 | |
| 311 | Q | A | 0.2312 | |
| 312 | C | A | 0.0000 | |
| 313 | L | A | 0.7782 |
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