| Chain sequence(s) |
A: DMGCAIDANRMELRCGEGLVVWREVTDWYDGYAFHPESPSVLAASLKEAYEEGICGIVPQNRLEMAMWRRVEAVLNLALAESDANLTVVVDKRDPSDYRGGKVGTLRRSGKEMKTSWKGWSQSFVWSVPEAPRRFMVGVEGAGECPLDKRRTGVFTVAEFGMGMRTKVFLDLRETASSDCDTGVMGAAVKSGHAVHTDQSLWMRSHRNATGVFISELIVTDLRNCTWPASHTLDNAGVVDSKLFLPAGLAGPRSHYNHIPGYAEQVKGPWSQTPLRVVREPCPGTAVKIDQSCDKRGASLRSTTESGKAIPEWCCRTCELPPVTFRSGTDCWYAMEIRPVHQQGGLVRSMVLAD
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 (00:07:09)
[INFO] Main: Simulation completed successfully. (00:07:13)
|
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 | -1.3690 | |
| 2 | M | A | -0.2227 | |
| 3 | G | A | -0.1968 | |
| 4 | C | A | 0.9402 | |
| 5 | A | A | 1.2353 | |
| 6 | I | A | 1.8700 | |
| 7 | D | A | -0.0864 | |
| 8 | A | A | -0.2796 | |
| 9 | N | A | -1.8014 | |
| 10 | R | A | -1.8405 | |
| 11 | M | A | -0.2169 | |
| 12 | E | A | -0.4259 | |
| 13 | L | A | 1.2563 | |
| 14 | R | A | -0.4792 | |
| 15 | C | A | 0.3508 | |
| 16 | G | A | -1.1523 | |
| 17 | E | A | -1.8477 | |
| 18 | G | A | -0.5024 | |
| 19 | L | A | 1.2901 | |
| 20 | V | A | 1.5457 | |
| 21 | V | A | 1.4874 | |
| 22 | W | A | 1.1193 | |
| 23 | R | A | -0.9609 | |
| 24 | E | A | -1.3376 | |
| 25 | V | A | 0.0000 | |
| 26 | T | A | -1.4231 | |
| 27 | D | A | -2.4923 | |
| 28 | W | A | 0.0000 | |
| 29 | Y | A | -0.8290 | |
| 30 | D | A | -2.2906 | |
| 31 | G | A | -1.7246 | |
| 32 | Y | A | -0.9445 | |
| 33 | A | A | -0.5173 | |
| 34 | F | A | 0.0000 | |
| 35 | H | A | -0.9277 | |
| 36 | P | A | 0.0000 | |
| 37 | E | A | -2.1038 | |
| 38 | S | A | -1.1699 | |
| 39 | P | A | -0.8267 | |
| 40 | S | A | -1.3421 | |
| 41 | V | A | -1.8563 | |
| 42 | L | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | S | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.6996 | |
| 48 | E | A | -2.6578 | |
| 49 | A | A | 0.0000 | |
| 50 | Y | A | -1.9917 | |
| 51 | E | A | -3.0085 | |
| 52 | E | A | -2.9125 | |
| 53 | G | A | -1.8325 | |
| 54 | I | A | -1.7617 | |
| 55 | C | A | -1.4804 | |
| 56 | G | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | Q | A | -0.4461 | |
| 61 | N | A | 0.0000 | |
| 62 | R | A | -0.4310 | |
| 63 | L | A | 0.0000 | |
| 64 | E | A | 0.0000 | |
| 65 | M | A | 0.0000 | |
| 66 | A | A | -0.9859 | |
| 67 | M | A | 0.0000 | |
| 68 | W | A | 0.0000 | |
| 69 | R | A | -1.7367 | |
| 70 | R | A | -1.7685 | |
| 71 | V | A | 0.0000 | |
| 72 | E | A | -0.6748 | |
| 73 | A | A | 0.0151 | |
| 74 | V | A | 0.3985 | |
| 75 | L | A | 0.0000 | |
| 76 | N | A | -0.5406 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | A | A | -1.5684 | |
| 81 | E | A | -1.9344 | |
| 82 | S | A | -1.8849 | |
| 83 | D | A | -2.5018 | |
| 84 | A | A | 0.0000 | |
| 85 | N | A | -2.6075 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -1.3128 | |
| 88 | V | A | 0.0000 | |
| 89 | V | A | -0.4877 | |
| 90 | V | A | 0.0000 | |
| 91 | D | A | -2.0088 | |
| 92 | K | A | -2.9993 | |
| 93 | R | A | -3.1358 | |
| 94 | D | A | -1.7309 | |
| 95 | P | A | 0.0000 | |
| 96 | S | A | -0.7414 | |
| 97 | D | A | -0.6490 | |
| 98 | Y | A | 0.0000 | |
| 99 | R | A | -0.7628 | |
| 100 | G | A | -1.1169 | |
| 101 | G | A | -1.7880 | |
| 102 | K | A | -2.2696 | |
| 103 | V | A | -0.5058 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | -1.2682 | |
| 106 | L | A | 0.0000 | |
| 107 | R | A | -3.0886 | |
| 108 | R | A | -3.3247 | |
| 109 | S | A | -2.6085 | |
| 110 | G | A | -2.2799 | |
| 111 | K | A | -3.1947 | |
| 112 | E | A | -3.3410 | |
| 113 | M | A | 0.0000 | |
| 114 | K | A | -2.4825 | |
| 115 | T | A | -1.1159 | |
| 116 | S | A | -0.5533 | |
| 117 | W | A | 0.2109 | |
| 118 | K | A | -1.1926 | |
| 119 | G | A | 0.0000 | |
| 120 | W | A | 0.8160 | |
| 121 | S | A | 0.4477 | |
| 122 | Q | A | 0.6596 | |
| 123 | S | A | 1.5502 | |
| 124 | F | A | 2.9482 | |
| 125 | V | A | 3.0690 | |
| 126 | W | A | 2.2841 | |
| 127 | S | A | 0.8332 | |
| 128 | V | A | 0.0574 | |
| 129 | P | A | -1.0033 | |
| 130 | E | A | -2.2948 | |
| 131 | A | A | -1.9935 | |
| 132 | P | A | -1.4587 | |
| 133 | R | A | -1.6675 | |
| 134 | R | A | -1.7320 | |
| 135 | F | A | 0.0000 | |
| 136 | M | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | V | A | -0.7694 | |
| 140 | E | A | -2.3218 | |
| 141 | G | A | -1.4891 | |
| 142 | A | A | -1.5521 | |
| 143 | G | A | -1.5812 | |
| 144 | E | A | -2.3528 | |
| 145 | C | A | 0.0000 | |
| 146 | P | A | -1.6817 | |
| 147 | L | A | -1.7832 | |
| 148 | D | A | -2.8014 | |
| 149 | K | A | -2.6326 | |
| 150 | R | A | 0.0000 | |
| 151 | R | A | -1.3808 | |
| 152 | T | A | 0.0000 | |
| 153 | G | A | -0.5125 | |
| 154 | V | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | -0.6116 | |
| 157 | V | A | -0.5717 | |
| 158 | A | A | -0.9549 | |
| 159 | E | A | -1.6423 | |
| 160 | F | A | 0.1078 | |
| 161 | G | A | 0.0119 | |
| 162 | M | A | 0.7901 | |
| 163 | G | A | 0.0301 | |
| 164 | M | A | 0.3545 | |
| 165 | R | A | -1.0980 | |
| 166 | T | A | -0.4546 | |
| 167 | K | A | -0.7030 | |
| 168 | V | A | 0.0000 | |
| 169 | F | A | -0.9689 | |
| 170 | L | A | 0.0000 | |
| 171 | D | A | -1.4133 | |
| 172 | L | A | -1.4019 | |
| 173 | R | A | -1.5773 | |
| 174 | E | A | -2.5095 | |
| 175 | T | A | -1.1675 | |
| 176 | A | A | -0.5593 | |
| 177 | S | A | -0.5163 | |
| 178 | S | A | -0.7580 | |
| 179 | D | A | -1.1219 | |
| 180 | C | A | 0.0000 | |
| 181 | D | A | -0.7051 | |
| 182 | T | A | -0.5608 | |
| 183 | G | A | -0.6237 | |
| 184 | V | A | 0.0000 | |
| 185 | M | A | -0.1340 | |
| 186 | G | A | 0.3892 | |
| 187 | A | A | 0.4681 | |
| 188 | A | A | 0.8047 | |
| 189 | V | A | 0.5879 | |
| 190 | K | A | -1.0968 | |
| 191 | S | A | -1.4294 | |
| 192 | G | A | -1.0629 | |
| 193 | H | A | -0.9409 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | -0.0009 | |
| 196 | H | A | 0.0000 | |
| 197 | T | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | R | A | -0.9120 | |
| 205 | S | A | 0.0000 | |
| 206 | H | A | -1.1107 | |
| 207 | R | A | -1.5137 | |
| 208 | N | A | -1.3226 | |
| 209 | A | A | -0.5954 | |
| 210 | T | A | -0.4667 | |
| 211 | G | A | -0.6677 | |
| 212 | V | A | -0.5427 | |
| 213 | F | A | -0.2682 | |
| 214 | I | A | 0.0000 | |
| 215 | S | A | -0.6240 | |
| 216 | E | A | -0.6311 | |
| 217 | L | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | -0.2437 | |
| 221 | D | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | 0.0000 | |
| 224 | N | A | -1.1463 | |
| 225 | C | A | 0.0000 | |
| 226 | T | A | -0.8470 | |
| 227 | W | A | 0.0000 | |
| 228 | P | A | 0.0000 | |
| 229 | A | A | -0.6752 | |
| 230 | S | A | -0.3477 | |
| 231 | H | A | -0.5544 | |
| 232 | T | A | 0.0000 | |
| 233 | L | A | -0.3580 | |
| 234 | D | A | -1.2521 | |
| 235 | N | A | -1.3986 | |
| 236 | A | A | -0.6799 | |
| 237 | G | A | -0.4843 | |
| 238 | V | A | -0.4237 | |
| 239 | V | A | 0.4137 | |
| 240 | D | A | -1.0077 | |
| 241 | S | A | -0.9213 | |
| 242 | K | A | -1.8578 | |
| 243 | L | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | A | A | -0.9423 | |
| 248 | G | A | -0.7858 | |
| 249 | L | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | P | A | 0.0000 | |
| 253 | R | A | -1.7099 | |
| 254 | S | A | 0.0000 | |
| 255 | H | A | -1.2159 | |
| 256 | Y | A | 0.0000 | |
| 257 | N | A | 0.0000 | |
| 258 | H | A | -0.7969 | |
| 259 | I | A | 0.0000 | |
| 260 | P | A | -0.4949 | |
| 261 | G | A | -0.9869 | |
| 262 | Y | A | 0.0000 | |
| 263 | A | A | -1.0223 | |
| 264 | E | A | -0.9168 | |
| 265 | Q | A | 0.0000 | |
| 266 | V | A | -0.1126 | |
| 267 | K | A | -0.2126 | |
| 268 | G | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | W | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | Q | A | -0.8067 | |
| 273 | T | A | -0.6471 | |
| 274 | P | A | -0.6713 | |
| 275 | L | A | 0.0000 | |
| 276 | R | A | -0.8732 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | -0.6900 | |
| 279 | R | A | -1.2093 | |
| 280 | E | A | -1.9090 | |
| 281 | P | A | -1.0429 | |
| 282 | C | A | 0.0000 | |
| 283 | P | A | -0.8122 | |
| 284 | G | A | -0.8659 | |
| 285 | T | A | -0.8545 | |
| 286 | A | A | -1.1560 | |
| 287 | V | A | -0.5137 | |
| 288 | K | A | -0.8630 | |
| 289 | I | A | 0.3358 | |
| 290 | D | A | -1.1375 | |
| 291 | Q | A | -2.3624 | |
| 292 | S | A | -1.5460 | |
| 293 | C | A | -2.1572 | |
| 294 | D | A | -3.2145 | |
| 295 | K | A | -3.4196 | |
| 296 | R | A | -2.2766 | |
| 297 | G | A | -1.4264 | |
| 298 | A | A | -0.5094 | |
| 299 | S | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | -1.0086 | |
| 302 | S | A | 0.0000 | |
| 303 | T | A | -1.4179 | |
| 304 | T | A | 0.0000 | |
| 305 | E | A | -2.6856 | |
| 306 | S | A | -1.8424 | |
| 307 | G | A | -2.0545 | |
| 308 | K | A | -2.3536 | |
| 309 | A | A | -1.5453 | |
| 310 | I | A | 0.0000 | |
| 311 | P | A | -1.3328 | |
| 312 | E | A | -1.9586 | |
| 313 | W | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | R | A | -3.0039 | |
| 317 | T | A | -1.2642 | |
| 318 | C | A | 0.0000 | |
| 319 | E | A | -0.8052 | |
| 320 | L | A | -0.1267 | |
| 321 | P | A | -0.8042 | |
| 322 | P | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | R | A | -0.9334 | |
| 327 | S | A | -0.9482 | |
| 328 | G | A | -0.9215 | |
| 329 | T | A | -0.6322 | |
| 330 | D | A | -0.9552 | |
| 331 | C | A | 0.0000 | |
| 332 | W | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | E | A | -1.5708 | |
| 337 | I | A | 0.0000 | |
| 338 | R | A | 0.0000 | |
| 339 | P | A | -0.9051 | |
| 340 | V | A | -0.7636 | |
| 341 | H | A | -1.6107 | |
| 342 | Q | A | -1.8270 | |
| 343 | Q | A | -1.6143 | |
| 344 | G | A | -1.4786 | |
| 345 | G | A | -1.7370 | |
| 346 | L | A | -1.4197 | |
| 347 | V | A | -1.2159 | |
| 348 | R | A | -1.7912 | |
| 349 | S | A | -0.3787 | |
| 350 | M | A | 0.7784 | |
| 351 | V | A | 0.0000 | |
| 352 | L | A | 0.9876 | |
| 353 | A | A | 0.0000 | |
| 354 | D | A | -1.5087 |
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