| Chain sequence(s) |
A: VSKGEEDNMASLPATHELHIFGSINGVDFDMVGQGTGNPNDGYEELNLKSTKGDLQFSPWILVPHIGYGFHQYLPYPDGMSPFQAAMVDGSGYQVHRTMQFEDGASLTVNYRYTYEGSHIKGEAQVKGTGFPADGPVMTNSLTAADWCRSKKTYPNDKTIISTFKWSYTTGNGKRYRSTARTTYTFAKPMAANYLKNQPMYVFRKTELKHSKTELNFKEWQKAFTDVMGMDELYKGSGSGSGVKIVSRKSLGVQNVYDIGVEKDHNFLLANGLIASNEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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 (00:06:48)
[INFO] Main: Simulation completed successfully. (00:06:51)
|
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 | V | A | 1.0601 | |
| 2 | S | A | -0.8414 | |
| 3 | K | A | -2.4940 | |
| 4 | G | A | -2.8618 | |
| 5 | E | A | -4.2482 | |
| 6 | E | A | -4.1759 | |
| 7 | D | A | -4.0269 | |
| 8 | N | A | -2.4767 | |
| 9 | M | A | -0.8234 | |
| 10 | A | A | -0.8442 | |
| 11 | S | A | -0.2182 | |
| 12 | L | A | 0.1320 | |
| 13 | P | A | 0.0000 | |
| 14 | A | A | -0.2277 | |
| 15 | T | A | -0.9226 | |
| 16 | H | A | 0.0000 | |
| 17 | E | A | -1.6658 | |
| 18 | L | A | 0.0000 | |
| 19 | H | A | -1.1000 | |
| 20 | I | A | 0.0000 | |
| 21 | F | A | -0.7115 | |
| 22 | G | A | -1.0194 | |
| 23 | S | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | N | A | -1.1571 | |
| 26 | G | A | -1.1727 | |
| 27 | V | A | -1.0722 | |
| 28 | D | A | -2.2990 | |
| 29 | F | A | 0.0000 | |
| 30 | D | A | -1.3702 | |
| 31 | M | A | 0.0000 | |
| 32 | V | A | -0.5711 | |
| 33 | G | A | 0.0000 | |
| 34 | Q | A | -2.0489 | |
| 35 | G | A | -1.3991 | |
| 36 | T | A | -0.8525 | |
| 37 | G | A | -0.5906 | |
| 38 | N | A | -0.9394 | |
| 39 | P | A | 0.0000 | |
| 40 | N | A | -1.5487 | |
| 41 | D | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | Y | A | -0.6014 | |
| 44 | E | A | 0.0000 | |
| 45 | E | A | -1.3009 | |
| 46 | L | A | 0.0000 | |
| 47 | N | A | -2.4347 | |
| 48 | L | A | 0.0000 | |
| 49 | K | A | -2.9924 | |
| 50 | S | A | 0.0000 | |
| 51 | T | A | -1.5332 | |
| 52 | K | A | -2.6984 | |
| 53 | G | A | -2.5812 | |
| 54 | D | A | -3.1064 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | -2.1357 | |
| 57 | F | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | P | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | H | A | 0.0000 | |
| 72 | Q | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | P | A | -0.8321 | |
| 76 | Y | A | 0.0000 | |
| 77 | P | A | -1.4135 | |
| 78 | D | A | -2.1721 | |
| 79 | G | A | -1.2497 | |
| 80 | M | A | -0.3446 | |
| 81 | S | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | Q | A | 0.0000 | |
| 85 | A | A | -0.4931 | |
| 86 | A | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | V | A | -0.7152 | |
| 89 | D | A | -1.9446 | |
| 90 | G | A | -1.7083 | |
| 91 | S | A | -1.2016 | |
| 92 | G | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | Q | A | -1.7282 | |
| 95 | V | A | 0.0000 | |
| 96 | H | A | -1.4327 | |
| 97 | R | A | 0.0000 | |
| 98 | T | A | -1.1442 | |
| 99 | M | A | 0.0000 | |
| 100 | Q | A | -1.9389 | |
| 101 | F | A | 0.0000 | |
| 102 | E | A | -2.5362 | |
| 103 | D | A | -2.1464 | |
| 104 | G | A | -1.6800 | |
| 105 | A | A | 0.0000 | |
| 106 | S | A | -1.1737 | |
| 107 | L | A | 0.0000 | |
| 108 | T | A | -1.0754 | |
| 109 | V | A | 0.0000 | |
| 110 | N | A | -1.6904 | |
| 111 | Y | A | 0.0000 | |
| 112 | R | A | -2.7736 | |
| 113 | Y | A | -1.5311 | |
| 114 | T | A | -1.2226 | |
| 115 | Y | A | -1.3568 | |
| 116 | E | A | -2.2504 | |
| 117 | G | A | -1.4729 | |
| 118 | S | A | -0.7696 | |
| 119 | H | A | -1.2731 | |
| 120 | I | A | 0.0000 | |
| 121 | K | A | -1.8774 | |
| 122 | G | A | 0.0000 | |
| 123 | E | A | -1.9402 | |
| 124 | A | A | 0.0000 | |
| 125 | Q | A | -1.4516 | |
| 126 | V | A | 0.0000 | |
| 127 | K | A | -1.8035 | |
| 128 | G | A | 0.0000 | |
| 129 | T | A | -0.9221 | |
| 130 | G | A | -0.9520 | |
| 131 | F | A | 0.0000 | |
| 132 | P | A | -1.0755 | |
| 133 | A | A | -0.9633 | |
| 134 | D | A | -1.9125 | |
| 135 | G | A | -1.2021 | |
| 136 | P | A | -1.0105 | |
| 137 | V | A | 0.0000 | |
| 138 | M | A | -0.9520 | |
| 139 | T | A | -1.1495 | |
| 140 | N | A | -1.6497 | |
| 141 | S | A | -1.1145 | |
| 142 | L | A | 0.0000 | |
| 143 | T | A | -0.5143 | |
| 144 | A | A | -0.8232 | |
| 145 | A | A | -0.8405 | |
| 146 | D | A | -1.5342 | |
| 147 | W | A | -0.5090 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -1.0848 | |
| 150 | S | A | 0.0000 | |
| 151 | K | A | -1.1615 | |
| 152 | K | A | 0.0000 | |
| 153 | T | A | -0.4716 | |
| 154 | Y | A | 0.0000 | |
| 155 | P | A | -0.9074 | |
| 156 | N | A | -1.5571 | |
| 157 | D | A | -2.0596 | |
| 158 | K | A | -1.8340 | |
| 159 | T | A | -1.1734 | |
| 160 | I | A | 0.0000 | |
| 161 | I | A | -0.4365 | |
| 162 | S | A | 0.0000 | |
| 163 | T | A | -1.3324 | |
| 164 | F | A | 0.0000 | |
| 165 | K | A | -2.4170 | |
| 166 | W | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | Y | A | 0.0000 | |
| 169 | T | A | -1.9169 | |
| 170 | T | A | -1.9616 | |
| 171 | G | A | -1.8606 | |
| 172 | N | A | -2.3761 | |
| 173 | G | A | -2.4222 | |
| 174 | K | A | -3.4686 | |
| 175 | R | A | -3.2985 | |
| 176 | Y | A | 0.0000 | |
| 177 | R | A | -2.6319 | |
| 178 | S | A | 0.0000 | |
| 179 | T | A | -1.8209 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -2.3008 | |
| 182 | T | A | 0.0000 | |
| 183 | T | A | -0.7322 | |
| 184 | Y | A | 0.0000 | |
| 185 | T | A | -0.9622 | |
| 186 | F | A | 0.0000 | |
| 187 | A | A | -1.2101 | |
| 188 | K | A | -2.3616 | |
| 189 | P | A | -1.7482 | |
| 190 | M | A | 0.0000 | |
| 191 | A | A | -0.9372 | |
| 192 | A | A | -1.1687 | |
| 193 | N | A | -2.1238 | |
| 194 | Y | A | -1.5204 | |
| 195 | L | A | -1.6696 | |
| 196 | K | A | -2.4094 | |
| 197 | N | A | -2.3493 | |
| 198 | Q | A | -1.7584 | |
| 199 | P | A | -1.1794 | |
| 200 | M | A | 0.0000 | |
| 201 | Y | A | -0.7053 | |
| 202 | V | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | R | A | 0.0000 | |
| 205 | K | A | -0.6402 | |
| 206 | T | A | -0.9776 | |
| 207 | E | A | -1.9035 | |
| 208 | L | A | -1.7386 | |
| 209 | K | A | -2.5934 | |
| 210 | H | A | -2.5463 | |
| 211 | S | A | -2.3518 | |
| 212 | K | A | -3.2075 | |
| 213 | T | A | -2.9313 | |
| 214 | E | A | -3.0551 | |
| 215 | L | A | 0.0000 | |
| 216 | N | A | -2.2628 | |
| 217 | F | A | 0.0000 | |
| 218 | K | A | -1.6278 | |
| 219 | E | A | 0.0000 | |
| 220 | W | A | -0.3352 | |
| 221 | Q | A | 0.0000 | |
| 222 | K | A | -0.6988 | |
| 223 | A | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | T | A | -1.3952 | |
| 226 | D | A | -1.9527 | |
| 227 | V | A | 0.0000 | |
| 228 | M | A | -0.7501 | |
| 229 | G | A | -0.7525 | |
| 230 | M | A | -1.1459 | |
| 231 | D | A | -2.6694 | |
| 232 | E | A | -2.5128 | |
| 233 | L | A | -0.9654 | |
| 234 | Y | A | -0.6404 | |
| 235 | K | A | -2.2098 | |
| 236 | G | A | -1.7009 | |
| 237 | S | A | -0.9260 | |
| 238 | G | A | -1.0573 | |
| 239 | S | A | -0.8605 | |
| 240 | G | A | -0.9784 | |
| 241 | S | A | -0.9061 | |
| 242 | G | A | -0.4843 | |
| 243 | V | A | 0.3721 | |
| 244 | K | A | -0.2861 | |
| 245 | I | A | 0.9269 | |
| 246 | V | A | 1.5188 | |
| 247 | S | A | -0.5408 | |
| 248 | R | A | -2.0438 | |
| 249 | K | A | -2.4328 | |
| 250 | S | A | -0.6621 | |
| 251 | L | A | 0.7404 | |
| 252 | G | A | 0.4136 | |
| 253 | V | A | 1.2290 | |
| 254 | Q | A | -0.1438 | |
| 255 | N | A | -0.3668 | |
| 256 | V | A | 1.3930 | |
| 257 | Y | A | 1.1101 | |
| 258 | D | A | -0.6182 | |
| 259 | I | A | 0.0552 | |
| 260 | G | A | -1.5606 | |
| 261 | V | A | -1.8760 | |
| 262 | E | A | -2.8950 | |
| 263 | K | A | -3.6723 | |
| 264 | D | A | -3.3785 | |
| 265 | H | A | -3.1010 | |
| 266 | N | A | -1.5037 | |
| 267 | F | A | -0.1090 | |
| 268 | L | A | 1.1085 | |
| 269 | L | A | 1.0372 | |
| 270 | A | A | 0.1914 | |
| 271 | N | A | -0.5434 | |
| 272 | G | A | 0.2221 | |
| 273 | L | A | 1.6106 | |
| 274 | I | A | 1.2348 | |
| 275 | A | A | 0.1219 | |
| 276 | S | A | -0.9784 | |
| 277 | N | A | -2.4360 | |
| 278 | E | A | -2.5532 | |
| 279 | G | A | -1.3690 | |
| 280 | T | A | -0.1216 | |
| 281 | F | A | 1.1475 | |
| 282 | T | A | -0.0498 | |
| 283 | S | A | -0.0184 | |
| 284 | D | A | -1.0115 | |
| 285 | V | A | -0.1111 | |
| 286 | S | A | -0.5811 | |
| 287 | S | A | -0.5928 | |
| 288 | Y | A | 0.2318 | |
| 289 | L | A | 0.0000 | |
| 290 | E | A | -1.0586 | |
| 291 | G | A | 0.0000 | |
| 292 | Q | A | -0.5577 | |
| 293 | A | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | K | A | -1.2973 | |
| 296 | E | A | -1.7225 | |
| 297 | F | A | 0.0000 | |
| 298 | I | A | 0.1699 | |
| 299 | A | A | -0.3362 | |
| 300 | W | A | -0.5210 | |
| 301 | L | A | 0.1896 | |
| 302 | V | A | 0.7773 | |
| 303 | R | A | -1.2682 | |
| 304 | G | A | -1.0995 | |
| 305 | R | A | -1.2983 | |
| 306 | G | A | -1.2094 |
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