| Chain sequence(s) |
A: DIVMTQSHKFMSTSVGDRVSITCKASQDVNTAVAWYQQKPGHSPKLLIYSASFRYTGVPDRFTGSRSGTDFTFTISSVQAEDLAVYYCQQHYTTPPTFGGGTKVEIKRTGGGGSGGGGSGGGGSQVQLQQSGPELVKPGASLKLSCTASGFNIKDTYIHWVKQRPEQGLEWIGRIYPTNGYTRYDPKFQDKATITADTSSNTAYLQVSRLTSEDTAVYYCSRWGGDGFYAMDYGGGGSGGGGSGGGGSMRVLYLLFSFLFIFLMPLPGVFGGIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:51)
[INFO] Main: Simulation completed successfully. (00:05:54)
|
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 | D | A | -1.4935 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.8945 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.4228 | |
| 6 | Q | A | -1.1305 | |
| 7 | S | A | -1.0492 | |
| 8 | H | A | -1.4036 | |
| 9 | K | A | -1.4472 | |
| 10 | F | A | 0.4205 | |
| 11 | M | A | -0.0170 | |
| 12 | S | A | -0.5581 | |
| 13 | T | A | 0.0000 | |
| 14 | S | A | -0.9771 | |
| 15 | V | A | 0.2237 | |
| 16 | G | A | -0.6754 | |
| 17 | D | A | -1.6014 | |
| 18 | R | A | -2.2996 | |
| 19 | V | A | 0.0000 | |
| 20 | S | A | -0.5432 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8472 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.7084 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.9997 | |
| 27 | Q | A | -2.2017 | |
| 28 | D | A | -2.8091 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | -1.8923 | |
| 31 | T | A | -0.7321 | |
| 32 | A | A | -0.2457 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.2749 | |
| 40 | P | A | -0.5979 | |
| 41 | G | A | -1.2101 | |
| 42 | H | A | -1.8393 | |
| 43 | S | A | -1.1849 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3903 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.4790 | |
| 50 | S | A | 0.0300 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.4155 | |
| 53 | F | A | 1.4212 | |
| 54 | R | A | -0.3435 | |
| 55 | Y | A | -0.0492 | |
| 56 | T | A | -0.3238 | |
| 57 | G | A | -1.1629 | |
| 58 | V | A | -0.9650 | |
| 59 | P | A | -1.3440 | |
| 60 | D | A | -2.1841 | |
| 61 | R | A | -1.5890 | |
| 62 | F | A | 0.0000 | |
| 63 | T | A | -0.4545 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.4794 | |
| 66 | R | A | -1.5371 | |
| 67 | S | A | -1.3677 | |
| 68 | G | A | -1.8896 | |
| 69 | T | A | -2.2594 | |
| 70 | D | A | -2.2040 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7208 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.6327 | |
| 77 | S | A | -1.3713 | |
| 78 | V | A | 0.0000 | |
| 79 | Q | A | -0.5864 | |
| 80 | A | A | -0.4849 | |
| 81 | E | A | -1.2424 | |
| 82 | D | A | 0.0000 | |
| 83 | L | A | -0.3702 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | -0.1049 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | 0.2521 | |
| 92 | Y | A | 0.6959 | |
| 93 | T | A | 0.2311 | |
| 94 | T | A | -0.4157 | |
| 95 | P | A | -0.7085 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | 0.0744 | |
| 98 | F | A | 0.1994 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.1264 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.5435 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.3876 | |
| 106 | I | A | -1.4636 | |
| 107 | K | A | -2.6433 | |
| 108 | R | A | -2.8463 | |
| 109 | T | A | -1.6303 | |
| 110 | G | A | -1.6160 | |
| 111 | G | A | -1.3506 | |
| 112 | G | A | -1.3194 | |
| 113 | G | A | -1.1229 | |
| 114 | S | A | -0.8758 | |
| 115 | G | A | -1.2419 | |
| 116 | G | A | -1.3358 | |
| 117 | G | A | -1.2471 | |
| 118 | G | A | -1.2328 | |
| 119 | S | A | -1.2243 | |
| 120 | G | A | -1.5308 | |
| 121 | G | A | -1.4431 | |
| 122 | G | A | -1.7072 | |
| 123 | G | A | -1.4137 | |
| 124 | S | A | -1.1989 | |
| 125 | Q | A | -1.8041 | |
| 126 | V | A | -1.0410 | |
| 127 | Q | A | -1.3031 | |
| 128 | L | A | 0.0000 | |
| 129 | Q | A | -1.7597 | |
| 130 | Q | A | -0.9264 | |
| 131 | S | A | -1.0127 | |
| 132 | G | A | -0.8783 | |
| 133 | P | A | -0.6138 | |
| 134 | E | A | -1.1495 | |
| 135 | L | A | -0.1333 | |
| 136 | V | A | -0.6647 | |
| 137 | K | A | -1.4104 | |
| 138 | P | A | -0.9827 | |
| 139 | G | A | -1.7787 | |
| 140 | A | A | -1.3788 | |
| 141 | S | A | -1.4944 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | -1.9030 | |
| 144 | L | A | 0.0000 | |
| 145 | S | A | -0.5494 | |
| 146 | C | A | 0.0000 | |
| 147 | T | A | -0.7968 | |
| 148 | A | A | 0.0000 | |
| 149 | S | A | -0.9985 | |
| 150 | G | A | -0.9840 | |
| 151 | F | A | -1.1102 | |
| 152 | N | A | -1.7199 | |
| 153 | I | A | 0.0000 | |
| 154 | K | A | -2.3183 | |
| 155 | D | A | -2.3433 | |
| 156 | T | A | 0.0000 | |
| 157 | Y | A | -0.1617 | |
| 158 | I | A | 0.0000 | |
| 159 | H | A | 0.0000 | |
| 160 | W | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | Q | A | -1.0784 | |
| 164 | R | A | -1.8438 | |
| 165 | P | A | -1.7250 | |
| 166 | E | A | -2.4522 | |
| 167 | Q | A | -2.4542 | |
| 168 | G | A | -1.4448 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -1.0316 | |
| 171 | W | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | R | A | -0.6218 | |
| 175 | I | A | 0.0000 | |
| 176 | Y | A | -0.5042 | |
| 177 | P | A | 0.0000 | |
| 178 | T | A | -1.3139 | |
| 179 | N | A | -1.3261 | |
| 180 | G | A | -0.8506 | |
| 181 | Y | A | -0.1992 | |
| 182 | T | A | -0.7137 | |
| 183 | R | A | -1.7948 | |
| 184 | Y | A | -1.7478 | |
| 185 | D | A | -1.9337 | |
| 186 | P | A | -2.0628 | |
| 187 | K | A | -2.5722 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | -2.9702 | |
| 190 | D | A | -3.0745 | |
| 191 | K | A | -2.3178 | |
| 192 | A | A | 0.0000 | |
| 193 | T | A | -1.0613 | |
| 194 | I | A | 0.0000 | |
| 195 | T | A | -0.1487 | |
| 196 | A | A | -0.7431 | |
| 197 | D | A | -1.2808 | |
| 198 | T | A | -1.1339 | |
| 199 | S | A | -0.8863 | |
| 200 | S | A | -0.8006 | |
| 201 | N | A | -1.0251 | |
| 202 | T | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | Y | A | -0.1771 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.0410 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | -1.7999 | |
| 209 | R | A | -2.5962 | |
| 210 | L | A | 0.0000 | |
| 211 | T | A | -1.2500 | |
| 212 | S | A | -0.9756 | |
| 213 | E | A | -2.0101 | |
| 214 | D | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | V | A | 0.1699 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | R | A | -0.3755 | |
| 223 | W | A | -0.3037 | |
| 224 | G | A | -0.3899 | |
| 225 | G | A | -0.6399 | |
| 226 | D | A | -0.1647 | |
| 227 | G | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | Y | A | -0.2875 | |
| 230 | A | A | -0.4273 | |
| 231 | M | A | -1.0083 | |
| 232 | D | A | -1.7601 | |
| 233 | Y | A | -1.0449 | |
| 234 | G | A | -1.5728 | |
| 235 | G | A | -1.8468 | |
| 236 | G | A | -1.4915 | |
| 237 | G | A | -1.5497 | |
| 238 | S | A | -1.1439 | |
| 239 | G | A | -1.1263 | |
| 240 | G | A | -1.1531 | |
| 241 | G | A | -1.1507 | |
| 242 | G | A | -1.1448 | |
| 243 | S | A | -1.0047 | |
| 244 | G | A | -1.2267 | |
| 245 | G | A | -1.3283 | |
| 246 | G | A | -1.5363 | |
| 247 | G | A | -1.6976 | |
| 248 | S | A | -0.9507 | |
| 249 | M | A | -0.4189 | |
| 250 | R | A | -0.3122 | |
| 251 | V | A | 0.2196 | |
| 252 | L | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | L | A | 0.1184 | |
| 255 | L | A | 1.2692 | |
| 256 | F | A | 2.5343 | |
| 257 | S | A | 2.2730 | |
| 258 | F | A | 4.0404 | |
| 259 | L | A | 4.3405 | |
| 260 | F | A | 4.8939 | |
| 261 | I | A | 4.8645 | |
| 262 | F | A | 4.6325 | |
| 263 | L | A | 3.7050 | |
| 264 | M | A | 2.3991 | |
| 265 | P | A | 1.3922 | |
| 266 | L | A | 1.4305 | |
| 267 | P | A | 0.9234 | |
| 268 | G | A | 0.9734 | |
| 269 | V | A | 2.3348 | |
| 270 | F | A | 2.4269 | |
| 271 | G | A | 0.8110 | |
| 272 | G | A | 0.3983 | |
| 273 | I | A | -0.0795 | |
| 274 | G | A | -0.5519 | |
| 275 | D | A | -0.7950 | |
| 276 | P | A | -0.1976 | |
| 277 | V | A | -0.0111 | |
| 278 | T | A | -0.6030 | |
| 279 | C | A | 0.0000 | |
| 280 | L | A | -0.4524 | |
| 281 | K | A | -1.4418 | |
| 282 | S | A | -0.7545 | |
| 283 | G | A | -0.9149 | |
| 284 | A | A | 0.0000 | |
| 285 | I | A | 0.1407 | |
| 286 | C | A | 0.4463 | |
| 287 | H | A | 0.3802 | |
| 288 | P | A | 0.3084 | |
| 289 | V | A | 1.6393 | |
| 290 | F | A | 1.3909 | |
| 291 | C | A | -0.5105 | |
| 292 | P | A | -1.4679 | |
| 293 | R | A | -2.8595 | |
| 294 | R | A | -3.3978 | |
| 295 | Y | A | -2.6088 | |
| 296 | K | A | -2.8398 | |
| 297 | Q | A | -1.6206 | |
| 298 | I | A | -0.7961 | |
| 299 | G | A | 0.0000 | |
| 300 | T | A | -0.8400 | |
| 301 | C | A | 0.0000 | |
| 302 | G | A | -0.7259 | |
| 303 | L | A | -0.2686 | |
| 304 | P | A | -0.2865 | |
| 305 | G | A | -0.1038 | |
| 306 | T | A | 0.0000 | |
| 307 | K | A | -0.4429 | |
| 308 | C | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | K | A | -1.9933 | |
| 311 | K | A | -2.6899 | |
| 312 | P | A | -1.7647 |
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