| Chain sequence(s) |
A: MSAVNQSVAKRVQAVIQRAIEQERIVGSVVLVAHDGELICAETGGDADREWRKPMRRATQFRLASVSKPFITLAAMRLLEQGKLQLDDAVSRWLPWFTPALADGRIPPITLRQLLTHSAGLDYRFKQLPSQPYHRLGIQDGLECASGTLQQNLRRLADAPLIAEPGSTFNYSLSIDVLGAVLEQLADQPLPQLFEQLVAQPLGLRATGFSSANADNLATAYYNGATRPEPMYDGLQLTLPPEFGYQIDFAPSRALDADAYPSGGAGMVGSADDVLKMVEAMRHGAGGFLRAETVALMHQPHVSAAAETQGPGWGFGFGGALLLDAALAATPQRNGTLQWGGAYGHSWFCDQQAALSVVALTNTAYEGMSGIYPGEIRDAVYRV
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:46)
[INFO] Main: Simulation completed successfully. (00:02:48)
|
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 | 0.9859 | |
| 2 | S | A | 0.5837 | |
| 3 | A | A | 0.5997 | |
| 4 | V | A | 1.7583 | |
| 5 | N | A | 0.1639 | |
| 6 | Q | A | -0.9699 | |
| 7 | S | A | -0.4932 | |
| 8 | V | A | 0.0000 | |
| 9 | A | A | -1.2001 | |
| 10 | K | A | -2.3521 | |
| 11 | R | A | -1.5684 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.6273 | |
| 14 | A | A | -1.4353 | |
| 15 | V | A | -1.4010 | |
| 16 | I | A | 0.0000 | |
| 17 | Q | A | -2.4385 | |
| 18 | R | A | -3.2981 | |
| 19 | A | A | 0.0000 | |
| 20 | I | A | -2.4152 | |
| 21 | E | A | -3.6000 | |
| 22 | Q | A | -3.5661 | |
| 23 | E | A | -3.5622 | |
| 24 | R | A | -2.1165 | |
| 25 | I | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | G | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | H | A | -2.1023 | |
| 35 | D | A | -2.9532 | |
| 36 | G | A | -2.5670 | |
| 37 | E | A | -2.5125 | |
| 38 | L | A | -0.7937 | |
| 39 | I | A | 0.0000 | |
| 40 | C | A | 0.0000 | |
| 41 | A | A | -0.2938 | |
| 42 | E | A | -1.0483 | |
| 43 | T | A | -1.1658 | |
| 44 | G | A | -0.9208 | |
| 45 | G | A | -1.4238 | |
| 46 | D | A | -1.9303 | |
| 47 | A | A | -1.9104 | |
| 48 | D | A | -1.9154 | |
| 49 | R | A | -2.0145 | |
| 50 | E | A | -1.9232 | |
| 51 | W | A | -1.0123 | |
| 52 | R | A | -2.7230 | |
| 53 | K | A | -3.1376 | |
| 54 | P | A | -2.0760 | |
| 55 | M | A | 0.0000 | |
| 56 | R | A | -2.7130 | |
| 57 | R | A | -1.9055 | |
| 58 | A | A | -1.3535 | |
| 59 | T | A | 0.0000 | |
| 60 | Q | A | -1.0417 | |
| 61 | F | A | 0.0000 | |
| 62 | R | A | -0.1359 | |
| 63 | L | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | S | A | -0.0726 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | 0.0000 | |
| 68 | K | A | 0.0000 | |
| 69 | P | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | M | A | 0.0000 | |
| 77 | R | A | -1.1129 | |
| 78 | L | A | 0.0000 | |
| 79 | L | A | -1.2904 | |
| 80 | E | A | -1.9181 | |
| 81 | Q | A | -2.0526 | |
| 82 | G | A | -2.0776 | |
| 83 | K | A | -2.3896 | |
| 84 | L | A | 0.0000 | |
| 85 | Q | A | -2.2063 | |
| 86 | L | A | 0.0000 | |
| 87 | D | A | -2.3559 | |
| 88 | D | A | 0.0000 | |
| 89 | A | A | -1.3590 | |
| 90 | V | A | 0.0000 | |
| 91 | S | A | -1.0643 | |
| 92 | R | A | -2.0504 | |
| 93 | W | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | P | A | -0.6800 | |
| 96 | W | A | -0.4098 | |
| 97 | F | A | 0.0000 | |
| 98 | T | A | -0.2471 | |
| 99 | P | A | 0.0000 | |
| 100 | A | A | -0.5009 | |
| 101 | L | A | -0.6260 | |
| 102 | A | A | -0.8525 | |
| 103 | D | A | -2.2296 | |
| 104 | G | A | -1.6592 | |
| 105 | R | A | -1.8117 | |
| 106 | I | A | 0.5193 | |
| 107 | P | A | -0.0926 | |
| 108 | P | A | -0.6166 | |
| 109 | I | A | 0.0000 | |
| 110 | T | A | -1.3342 | |
| 111 | L | A | 0.0000 | |
| 112 | R | A | -1.3571 | |
| 113 | Q | A | -0.8531 | |
| 114 | L | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | H | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | D | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | R | A | -0.5377 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -0.3202 | |
| 127 | Q | A | 0.0000 | |
| 128 | L | A | 0.9113 | |
| 129 | P | A | -0.1950 | |
| 130 | S | A | -0.6019 | |
| 131 | Q | A | -0.9251 | |
| 132 | P | A | -1.4223 | |
| 133 | Y | A | 0.0000 | |
| 134 | H | A | -1.2665 | |
| 135 | R | A | -2.2729 | |
| 136 | L | A | -2.0222 | |
| 137 | G | A | -1.4170 | |
| 138 | I | A | 0.0000 | |
| 139 | Q | A | -0.4895 | |
| 140 | D | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | C | A | -0.1138 | |
| 145 | A | A | -0.3675 | |
| 146 | S | A | -0.5033 | |
| 147 | G | A | -1.0578 | |
| 148 | T | A | -1.3041 | |
| 149 | L | A | 0.0000 | |
| 150 | Q | A | -1.8964 | |
| 151 | Q | A | -2.6376 | |
| 152 | N | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | R | A | -3.5619 | |
| 155 | R | A | -3.7423 | |
| 156 | L | A | 0.0000 | |
| 157 | A | A | -2.1345 | |
| 158 | D | A | -2.7872 | |
| 159 | A | A | 0.0000 | |
| 160 | P | A | -0.2376 | |
| 161 | L | A | 0.0000 | |
| 162 | I | A | 1.5464 | |
| 163 | A | A | -0.0454 | |
| 164 | E | A | -1.6195 | |
| 165 | P | A | -1.0095 | |
| 166 | G | A | -1.1199 | |
| 167 | S | A | -1.0110 | |
| 168 | T | A | -0.3344 | |
| 169 | F | A | -0.2183 | |
| 170 | N | A | 0.1982 | |
| 171 | Y | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | E | A | -1.7066 | |
| 184 | Q | A | -2.2114 | |
| 185 | L | A | -1.5518 | |
| 186 | A | A | -1.7326 | |
| 187 | D | A | -2.5527 | |
| 188 | Q | A | -2.1047 | |
| 189 | P | A | -1.4848 | |
| 190 | L | A | 0.0000 | |
| 191 | P | A | -1.2930 | |
| 192 | Q | A | -2.1027 | |
| 193 | L | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | E | A | -2.8783 | |
| 196 | Q | A | -2.5338 | |
| 197 | L | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | Q | A | -2.3882 | |
| 201 | P | A | -1.2177 | |
| 202 | L | A | 0.0000 | |
| 203 | G | A | -1.3953 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | -2.1216 | |
| 206 | A | A | -1.0138 | |
| 207 | T | A | 0.0000 | |
| 208 | G | A | -0.6541 | |
| 209 | F | A | -0.1460 | |
| 210 | S | A | -0.3917 | |
| 211 | S | A | 0.0000 | |
| 212 | A | A | -0.6736 | |
| 213 | N | A | -1.6367 | |
| 214 | A | A | -1.3215 | |
| 215 | D | A | -2.5632 | |
| 216 | N | A | -2.1102 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | T | A | -0.5717 | |
| 220 | A | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | Y | A | -0.8737 | |
| 223 | N | A | -1.6750 | |
| 224 | G | A | -1.4843 | |
| 225 | A | A | -0.7143 | |
| 226 | T | A | -1.2834 | |
| 227 | R | A | -2.5795 | |
| 228 | P | A | 0.0000 | |
| 229 | E | A | -1.9050 | |
| 230 | P | A | -0.7384 | |
| 231 | M | A | 0.0000 | |
| 232 | Y | A | 0.1829 | |
| 233 | D | A | -1.1263 | |
| 234 | G | A | -1.0926 | |
| 235 | L | A | 0.0000 | |
| 236 | Q | A | -1.2874 | |
| 237 | L | A | -0.5457 | |
| 238 | T | A | -0.1840 | |
| 239 | L | A | 0.0000 | |
| 240 | P | A | -0.5730 | |
| 241 | P | A | -0.9880 | |
| 242 | E | A | -1.8128 | |
| 243 | F | A | -0.6288 | |
| 244 | G | A | -0.2719 | |
| 245 | Y | A | 0.2907 | |
| 246 | Q | A | -0.1623 | |
| 247 | I | A | 0.0000 | |
| 248 | D | A | -1.1107 | |
| 249 | F | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | P | A | 0.0000 | |
| 252 | S | A | -0.1505 | |
| 253 | R | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | L | A | -0.0494 | |
| 256 | D | A | -1.1049 | |
| 257 | A | A | -1.0614 | |
| 258 | D | A | -2.0328 | |
| 259 | A | A | -1.0672 | |
| 260 | Y | A | 0.0000 | |
| 261 | P | A | -0.3260 | |
| 262 | S | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | G | A | -0.0669 | |
| 267 | M | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | D | A | -1.0156 | |
| 273 | D | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -1.0696 | |
| 277 | M | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | E | A | -1.2331 | |
| 280 | A | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | H | A | -1.7825 | |
| 284 | G | A | 0.0000 | |
| 285 | A | A | -1.1032 | |
| 286 | G | A | -1.1142 | |
| 287 | G | A | -1.2481 | |
| 288 | F | A | -0.7858 | |
| 289 | L | A | 0.0000 | |
| 290 | R | A | -2.7331 | |
| 291 | A | A | -1.9176 | |
| 292 | E | A | -2.2995 | |
| 293 | T | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | A | A | -1.0213 | |
| 296 | L | A | -0.6196 | |
| 297 | M | A | 0.0000 | |
| 298 | H | A | 0.0000 | |
| 299 | Q | A | -0.8331 | |
| 300 | P | A | -0.6276 | |
| 301 | H | A | -0.5827 | |
| 302 | V | A | -0.4681 | |
| 303 | S | A | -0.4926 | |
| 304 | A | A | -0.8323 | |
| 305 | A | A | -0.5731 | |
| 306 | A | A | -0.9495 | |
| 307 | E | A | -2.1022 | |
| 308 | T | A | -1.2365 | |
| 309 | Q | A | -1.5276 | |
| 310 | G | A | -1.3318 | |
| 311 | P | A | -0.6879 | |
| 312 | G | A | 0.0000 | |
| 313 | W | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | F | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | L | A | -0.5745 | |
| 324 | D | A | -0.7277 | |
| 325 | A | A | -0.5697 | |
| 326 | A | A | 0.2562 | |
| 327 | L | A | 1.3033 | |
| 328 | A | A | 0.1263 | |
| 329 | A | A | 0.4122 | |
| 330 | T | A | -0.3617 | |
| 331 | P | A | -0.8749 | |
| 332 | Q | A | 0.0000 | |
| 333 | R | A | -2.4916 | |
| 334 | N | A | -2.1568 | |
| 335 | G | A | -1.5102 | |
| 336 | T | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | -0.2967 | |
| 339 | W | A | 0.0000 | |
| 340 | G | A | -0.1107 | |
| 341 | G | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | H | A | 0.0000 | |
| 346 | S | A | -0.1355 | |
| 347 | W | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | C | A | 0.0000 | |
| 350 | D | A | 0.0000 | |
| 351 | Q | A | -1.9501 | |
| 352 | Q | A | -1.9726 | |
| 353 | A | A | -1.3625 | |
| 354 | A | A | -1.7977 | |
| 355 | L | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | N | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | Y | A | 0.0110 | |
| 366 | E | A | 0.0142 | |
| 367 | G | A | 0.0000 | |
| 368 | M | A | 0.1907 | |
| 369 | S | A | 0.1347 | |
| 370 | G | A | 0.4590 | |
| 371 | I | A | 1.6769 | |
| 372 | Y | A | 0.0000 | |
| 373 | P | A | 0.1195 | |
| 374 | G | A | 0.0074 | |
| 375 | E | A | -0.2570 | |
| 376 | I | A | 0.0000 | |
| 377 | R | A | -0.9620 | |
| 378 | D | A | -1.1041 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | Y | A | -0.3057 | |
| 382 | R | A | -0.6600 | |
| 383 | V | A | 1.3816 |
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