| Chain sequence(s) |
A: MKSILLFMIFVVCQLEGKKFSQDNFKVDYNYYLRKQDLHIIKTQNDLSNSWYLPPQKAPKEHSWVDFAKKYLNMMDYLGTYFLPFYHSFTPIFQWYHPNINPYQRNEFKFQISFRVPVFRHILWTKGTLYLAYTQTDWFQIYNDPQSAPMRMMNFMPELIYVYPINFKPFGGKIGNFSEIWIGWQHISNGVGGAQCYQPFNKEGNPENQFPGQPVIVKDYNGQKDVRWGGCRSVSAGQRPVFRLVWEKGGLKIMVAYWPYVPYDQSNPNLIDYMGYGNAKIDYRRGRHHFELQLYDIFTQYWRYDRWHGAFRLGYTYRINPFVGIYAQWFNGYGDGLYEYDVFSNRIGVGIRLNP
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:56)
[INFO] Main: Simulation completed successfully. (00:03:59)
|
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 | 0.1943 | |
| 2 | K | A | -0.8556 | |
| 3 | S | A | 0.4144 | |
| 4 | I | A | 2.8170 | |
| 5 | L | A | 3.9976 | |
| 6 | L | A | 4.2012 | |
| 7 | F | A | 4.4873 | |
| 8 | M | A | 3.9833 | |
| 9 | I | A | 4.4316 | |
| 10 | F | A | 4.5452 | |
| 11 | V | A | 4.0577 | |
| 12 | V | A | 3.2770 | |
| 13 | C | A | 1.7372 | |
| 14 | Q | A | 0.0120 | |
| 15 | L | A | 0.1598 | |
| 16 | E | A | -1.8609 | |
| 17 | G | A | -2.2198 | |
| 18 | K | A | -2.5024 | |
| 19 | K | A | -1.9037 | |
| 20 | F | A | -0.0451 | |
| 21 | S | A | -1.1628 | |
| 22 | Q | A | -1.8912 | |
| 23 | D | A | -2.5955 | |
| 24 | N | A | -1.7975 | |
| 25 | F | A | 0.1642 | |
| 26 | K | A | -0.8148 | |
| 27 | V | A | 0.8397 | |
| 28 | D | A | -0.2429 | |
| 29 | Y | A | 1.0435 | |
| 30 | N | A | 0.1522 | |
| 31 | Y | A | 1.3104 | |
| 32 | Y | A | 1.4891 | |
| 33 | L | A | 0.6412 | |
| 34 | R | A | -2.2488 | |
| 35 | K | A | -2.8135 | |
| 36 | Q | A | -2.8548 | |
| 37 | D | A | -2.4432 | |
| 38 | L | A | 0.3055 | |
| 39 | H | A | 0.4227 | |
| 40 | I | A | 2.1861 | |
| 41 | I | A | 1.9560 | |
| 42 | K | A | -0.6294 | |
| 43 | T | A | -1.2094 | |
| 44 | Q | A | -2.4253 | |
| 45 | N | A | -2.4593 | |
| 46 | D | A | -2.1461 | |
| 47 | L | A | -0.0350 | |
| 48 | S | A | -0.6159 | |
| 49 | N | A | -0.7663 | |
| 50 | S | A | 0.4184 | |
| 51 | W | A | 1.7981 | |
| 52 | Y | A | 2.2457 | |
| 53 | L | A | 2.1476 | |
| 54 | P | A | 0.3789 | |
| 55 | P | A | -0.8273 | |
| 56 | Q | A | -1.9701 | |
| 57 | K | A | -2.7060 | |
| 58 | A | A | -1.9958 | |
| 59 | P | A | -2.4529 | |
| 60 | K | A | -3.2824 | |
| 61 | E | A | -3.2460 | |
| 62 | H | A | -2.1131 | |
| 63 | S | A | -1.0037 | |
| 64 | W | A | 0.3117 | |
| 65 | V | A | -0.5313 | |
| 66 | D | A | -1.9695 | |
| 67 | F | A | 0.0074 | |
| 68 | A | A | -0.3882 | |
| 69 | K | A | -2.1993 | |
| 70 | K | A | -1.9326 | |
| 71 | Y | A | -0.0658 | |
| 72 | L | A | 0.0531 | |
| 73 | N | A | -0.9248 | |
| 74 | M | A | 0.6870 | |
| 75 | M | A | 0.0850 | |
| 76 | D | A | -0.6386 | |
| 77 | Y | A | 0.2354 | |
| 78 | L | A | 0.3265 | |
| 79 | G | A | 0.0000 | |
| 80 | T | A | 0.3117 | |
| 81 | Y | A | 0.0000 | |
| 82 | F | A | 1.5085 | |
| 83 | L | A | 0.0000 | |
| 84 | P | A | 1.1907 | |
| 85 | F | A | 1.1509 | |
| 86 | Y | A | 0.0000 | |
| 87 | H | A | 0.1895 | |
| 88 | S | A | 0.0000 | |
| 89 | F | A | 1.5098 | |
| 90 | T | A | 0.7982 | |
| 91 | P | A | 0.1098 | |
| 92 | I | A | 0.0000 | |
| 93 | F | A | 0.4761 | |
| 94 | Q | A | 0.1973 | |
| 95 | W | A | 0.5337 | |
| 96 | Y | A | 1.0615 | |
| 97 | H | A | -0.2419 | |
| 98 | P | A | -0.3881 | |
| 99 | N | A | -0.6790 | |
| 100 | I | A | 1.0401 | |
| 101 | N | A | -0.0622 | |
| 102 | P | A | -0.4780 | |
| 103 | Y | A | -0.1838 | |
| 104 | Q | A | -1.1548 | |
| 105 | R | A | -1.0975 | |
| 106 | N | A | -0.3891 | |
| 107 | E | A | 0.0000 | |
| 108 | F | A | 1.2807 | |
| 109 | K | A | 0.0000 | |
| 110 | F | A | 0.8307 | |
| 111 | Q | A | 0.0000 | |
| 112 | I | A | 0.9456 | |
| 113 | S | A | 0.0000 | |
| 114 | F | A | 0.7174 | |
| 115 | R | A | 0.8224 | |
| 116 | V | A | 1.4320 | |
| 117 | P | A | 0.0000 | |
| 118 | V | A | 1.6193 | |
| 119 | F | A | 2.0165 | |
| 120 | R | A | -0.2712 | |
| 121 | H | A | -0.5763 | |
| 122 | I | A | 1.1683 | |
| 123 | L | A | 1.9342 | |
| 124 | W | A | 1.2407 | |
| 125 | T | A | -0.0504 | |
| 126 | K | A | -1.5146 | |
| 127 | G | A | 0.0000 | |
| 128 | T | A | 0.1439 | |
| 129 | L | A | 1.6035 | |
| 130 | Y | A | 1.6239 | |
| 131 | L | A | 2.3685 | |
| 132 | A | A | 0.0000 | |
| 133 | Y | A | 0.9192 | |
| 134 | T | A | 0.0000 | |
| 135 | Q | A | 0.5011 | |
| 136 | T | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 138 | W | A | 0.0000 | |
| 139 | F | A | 1.1318 | |
| 140 | Q | A | 0.0000 | |
| 141 | I | A | 1.2135 | |
| 142 | Y | A | 0.8132 | |
| 143 | N | A | 0.0000 | |
| 144 | D | A | -1.6113 | |
| 145 | P | A | -1.2413 | |
| 146 | Q | A | -1.0186 | |
| 147 | S | A | -0.7664 | |
| 148 | A | A | 0.0595 | |
| 149 | P | A | 0.2108 | |
| 150 | M | A | 0.7383 | |
| 151 | R | A | 0.0000 | |
| 152 | M | A | 0.0000 | |
| 153 | M | A | 0.4352 | |
| 154 | N | A | 0.1511 | |
| 155 | F | A | 0.4520 | |
| 156 | M | A | 0.2494 | |
| 157 | P | A | 0.5672 | |
| 158 | E | A | 0.0000 | |
| 159 | L | A | 1.8990 | |
| 160 | I | A | 0.0000 | |
| 161 | Y | A | 1.6292 | |
| 162 | V | A | 0.0000 | |
| 163 | Y | A | 0.3967 | |
| 164 | P | A | -0.1232 | |
| 165 | I | A | 0.0409 | |
| 166 | N | A | -0.6628 | |
| 167 | F | A | 0.7848 | |
| 168 | K | A | -0.7019 | |
| 169 | P | A | 0.2483 | |
| 170 | F | A | 1.2142 | |
| 171 | G | A | -0.2138 | |
| 172 | G | A | -1.0070 | |
| 173 | K | A | -1.3199 | |
| 174 | I | A | -0.1081 | |
| 175 | G | A | 0.0000 | |
| 176 | N | A | -1.2028 | |
| 177 | F | A | 0.0142 | |
| 178 | S | A | -0.3840 | |
| 179 | E | A | 0.1712 | |
| 180 | I | A | 1.1835 | |
| 181 | W | A | 0.0000 | |
| 182 | I | A | 1.9133 | |
| 183 | G | A | 1.5607 | |
| 184 | W | A | 1.4608 | |
| 185 | Q | A | 0.0000 | |
| 186 | H | A | -0.1036 | |
| 187 | I | A | 0.0000 | |
| 188 | S | A | -0.0802 | |
| 189 | N | A | 0.0000 | |
| 190 | G | A | -0.2997 | |
| 191 | V | A | -0.3167 | |
| 192 | G | A | -0.6645 | |
| 193 | G | A | -0.7441 | |
| 194 | A | A | -1.1450 | |
| 195 | Q | A | -1.0062 | |
| 196 | C | A | -0.1999 | |
| 197 | Y | A | 0.2266 | |
| 198 | Q | A | -0.3418 | |
| 199 | P | A | -0.9355 | |
| 200 | F | A | -1.6826 | |
| 201 | N | A | -2.6022 | |
| 202 | K | A | -3.1874 | |
| 203 | E | A | -3.4305 | |
| 204 | G | A | -2.9435 | |
| 205 | N | A | -3.1498 | |
| 206 | P | A | -2.1626 | |
| 207 | E | A | -2.5176 | |
| 208 | N | A | -1.0048 | |
| 209 | Q | A | -0.4867 | |
| 210 | F | A | 1.0060 | |
| 211 | P | A | 0.4280 | |
| 212 | G | A | -0.1500 | |
| 213 | Q | A | -0.5709 | |
| 214 | P | A | -0.0755 | |
| 215 | V | A | 0.0000 | |
| 216 | I | A | -0.9293 | |
| 217 | V | A | 0.0000 | |
| 218 | K | A | -3.3883 | |
| 219 | D | A | -2.9615 | |
| 220 | Y | A | -0.7651 | |
| 221 | N | A | -2.0477 | |
| 222 | G | A | -2.4843 | |
| 223 | Q | A | -3.3157 | |
| 224 | K | A | -3.6690 | |
| 225 | D | A | -2.6211 | |
| 226 | V | A | -0.4345 | |
| 227 | R | A | -1.2351 | |
| 228 | W | A | 0.4393 | |
| 229 | G | A | 0.0670 | |
| 230 | G | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | R | A | -0.6792 | |
| 233 | S | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | A | A | -0.2001 | |
| 237 | G | A | 0.0000 | |
| 238 | Q | A | -0.5264 | |
| 239 | R | A | 0.0000 | |
| 240 | P | A | 0.9092 | |
| 241 | V | A | 0.0000 | |
| 242 | F | A | 1.8297 | |
| 243 | R | A | 1.2581 | |
| 244 | L | A | 1.5734 | |
| 245 | V | A | 0.0000 | |
| 246 | W | A | -0.0036 | |
| 247 | E | A | -1.5141 | |
| 248 | K | A | -2.0381 | |
| 249 | G | A | -1.8943 | |
| 250 | G | A | -1.9911 | |
| 251 | L | A | -1.0631 | |
| 252 | K | A | -0.9868 | |
| 253 | I | A | 0.5109 | |
| 254 | M | A | 0.6552 | |
| 255 | V | A | 1.4005 | |
| 256 | A | A | 0.0000 | |
| 257 | Y | A | 1.7170 | |
| 258 | W | A | 0.0000 | |
| 259 | P | A | 0.8695 | |
| 260 | Y | A | 1.3824 | |
| 261 | V | A | 0.7129 | |
| 262 | P | A | -0.1779 | |
| 263 | Y | A | -0.6453 | |
| 264 | D | A | -2.1853 | |
| 265 | Q | A | -1.8587 | |
| 266 | S | A | -1.0010 | |
| 267 | N | A | 0.0000 | |
| 268 | P | A | -1.4448 | |
| 269 | N | A | -0.9134 | |
| 270 | L | A | 0.0000 | |
| 271 | I | A | 0.1627 | |
| 272 | D | A | -0.4530 | |
| 273 | Y | A | 0.1375 | |
| 274 | M | A | 0.3949 | |
| 275 | G | A | 0.0000 | |
| 276 | Y | A | 1.0620 | |
| 277 | G | A | 0.0000 | |
| 278 | N | A | 0.7025 | |
| 279 | A | A | 0.0000 | |
| 280 | K | A | 0.5098 | |
| 281 | I | A | 0.8628 | |
| 282 | D | A | 0.0000 | |
| 283 | Y | A | -0.6115 | |
| 284 | R | A | -2.9309 | |
| 285 | R | A | -3.3860 | |
| 286 | G | A | -2.8655 | |
| 287 | R | A | -3.0634 | |
| 288 | H | A | -1.9768 | |
| 289 | H | A | 0.0000 | |
| 290 | F | A | 0.8199 | |
| 291 | E | A | 0.0000 | |
| 292 | L | A | 1.0258 | |
| 293 | Q | A | 0.4790 | |
| 294 | L | A | 0.7696 | |
| 295 | Y | A | 0.7279 | |
| 296 | D | A | 0.0000 | |
| 297 | I | A | 1.1647 | |
| 298 | F | A | 1.1803 | |
| 299 | T | A | 0.3545 | |
| 300 | Q | A | -0.6402 | |
| 301 | Y | A | 0.0506 | |
| 302 | W | A | -0.1013 | |
| 303 | R | A | -1.8586 | |
| 304 | Y | A | -1.6589 | |
| 305 | D | A | -2.4745 | |
| 306 | R | A | -2.2716 | |
| 307 | W | A | -0.5638 | |
| 308 | H | A | 0.0000 | |
| 309 | G | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | F | A | 0.6310 | |
| 312 | R | A | 0.4362 | |
| 313 | L | A | 1.0432 | |
| 314 | G | A | 0.0000 | |
| 315 | Y | A | 1.6528 | |
| 316 | T | A | 0.0000 | |
| 317 | Y | A | 0.5836 | |
| 318 | R | A | -0.0877 | |
| 319 | I | A | 1.3518 | |
| 320 | N | A | 0.0662 | |
| 321 | P | A | 0.0412 | |
| 322 | F | A | 1.4343 | |
| 323 | V | A | 1.5573 | |
| 324 | G | A | 0.0000 | |
| 325 | I | A | 2.8039 | |
| 326 | Y | A | 0.0000 | |
| 327 | A | A | 1.7801 | |
| 328 | Q | A | 0.0000 | |
| 329 | W | A | 0.9574 | |
| 330 | F | A | 0.0000 | |
| 331 | N | A | 0.4488 | |
| 332 | G | A | 0.0000 | |
| 333 | Y | A | 0.6253 | |
| 334 | G | A | 0.2095 | |
| 335 | D | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | E | A | 0.0000 | |
| 340 | Y | A | -0.0568 | |
| 341 | D | A | -0.5180 | |
| 342 | V | A | 0.5968 | |
| 343 | F | A | 1.1227 | |
| 344 | S | A | 0.0000 | |
| 345 | N | A | 0.6712 | |
| 346 | R | A | 0.0000 | |
| 347 | I | A | 1.1976 | |
| 348 | G | A | 0.0000 | |
| 349 | V | A | 2.3045 | |
| 350 | G | A | 1.8619 | |
| 351 | I | A | 2.1356 | |
| 352 | R | A | 0.0000 | |
| 353 | L | A | 0.5736 | |
| 354 | N | A | -0.6763 | |
| 355 | P | A | 0.0000 |
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