| Chain sequence(s) |
A: MPSIPKTQKAIVFETNGGPLLYKDIPVPQPKPNEILVNVKYSGVCHTDLHAWKGDWPLATKLPLVGGHEGAGVVVAKGANVTNFEIGDYAGIKWLNGSCMGCEFCQQGAEPNCPDADLSGYTHDGSFQQYATADAVQAAKIPKGTNLADVAPILCAGVTVYKALKTAELSPGQWVAISGAGGGLGSLAVQYAVAMGLRVLGIDGGDEKAKLFESLGGEVFIDFTKEKDIVGAVQKATNGGPHGVINVSVSPAAISQSCQYVRTLGKVVLVGLPAGAVCESPVFEHVIKSIQIRGSYVGNRQDTAESIDFFVRGKVKAPIKVVGLSELPKVFELMEQGKIAGRYVLDTSK
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 (00:03:26)
[INFO] Main: Simulation completed successfully. (00:03:28)
|
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 | 1.1002 | |
| 2 | P | A | 0.4883 | |
| 3 | S | A | -0.0232 | |
| 4 | I | A | -0.0749 | |
| 5 | P | A | -0.8539 | |
| 6 | K | A | -2.0621 | |
| 7 | T | A | -1.6528 | |
| 8 | Q | A | 0.0000 | |
| 9 | K | A | -2.0494 | |
| 10 | A | A | 0.0000 | |
| 11 | I | A | 0.0000 | |
| 12 | V | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | E | A | -1.8923 | |
| 15 | T | A | -1.4248 | |
| 16 | N | A | -1.5744 | |
| 17 | G | A | -1.3846 | |
| 18 | G | A | -1.0149 | |
| 19 | P | A | -0.5009 | |
| 20 | L | A | -0.1807 | |
| 21 | L | A | -0.1263 | |
| 22 | Y | A | -0.3391 | |
| 23 | K | A | -1.5989 | |
| 24 | D | A | -2.5418 | |
| 25 | I | A | -1.3875 | |
| 26 | P | A | -1.2990 | |
| 27 | V | A | 0.0000 | |
| 28 | P | A | -1.2043 | |
| 29 | Q | A | -1.9793 | |
| 30 | P | A | -1.9677 | |
| 31 | K | A | -2.8390 | |
| 32 | P | A | -2.3867 | |
| 33 | N | A | -2.3878 | |
| 34 | E | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | N | A | -0.1697 | |
| 39 | V | A | 0.0000 | |
| 40 | K | A | -0.7313 | |
| 41 | Y | A | -0.2505 | |
| 42 | S | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | C | A | 0.0000 | |
| 46 | H | A | 0.0079 | |
| 47 | T | A | -0.0257 | |
| 48 | D | A | 0.0000 | |
| 49 | L | A | -0.8776 | |
| 50 | H | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | W | A | -1.0095 | |
| 53 | K | A | -1.5504 | |
| 54 | G | A | -1.0679 | |
| 55 | D | A | -0.9131 | |
| 56 | W | A | -0.0571 | |
| 57 | P | A | 0.1774 | |
| 58 | L | A | 0.9601 | |
| 59 | A | A | 0.3606 | |
| 60 | T | A | -0.1607 | |
| 61 | K | A | -0.5825 | |
| 62 | L | A | -0.3529 | |
| 63 | P | A | -0.8710 | |
| 64 | L | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | H | A | 0.0000 | |
| 69 | E | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | V | A | -0.3524 | |
| 74 | V | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | A | A | -0.4177 | |
| 77 | K | A | -1.7529 | |
| 78 | G | A | -1.9856 | |
| 79 | A | A | -1.3705 | |
| 80 | N | A | -2.1753 | |
| 81 | V | A | 0.0000 | |
| 82 | T | A | -1.1912 | |
| 83 | N | A | -1.4055 | |
| 84 | F | A | 0.0000 | |
| 85 | E | A | -1.9559 | |
| 86 | I | A | -0.3944 | |
| 87 | G | A | -0.6609 | |
| 88 | D | A | -1.8072 | |
| 89 | Y | A | -1.2762 | |
| 90 | A | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | K | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | G | A | -0.4514 | |
| 98 | S | A | -0.4200 | |
| 99 | C | A | -0.1203 | |
| 100 | M | A | -0.1833 | |
| 101 | G | A | -0.7371 | |
| 102 | C | A | -1.3750 | |
| 103 | E | A | -2.2029 | |
| 104 | F | A | -1.0253 | |
| 105 | C | A | 0.0000 | |
| 106 | Q | A | -2.0381 | |
| 107 | Q | A | -2.0338 | |
| 108 | G | A | -1.5926 | |
| 109 | A | A | -1.0454 | |
| 110 | E | A | 0.0000 | |
| 111 | P | A | 0.0000 | |
| 112 | N | A | -1.5858 | |
| 113 | C | A | 0.0000 | |
| 114 | P | A | -1.5033 | |
| 115 | D | A | -2.0693 | |
| 116 | A | A | -1.3533 | |
| 117 | D | A | -1.1394 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | T | A | -0.3838 | |
| 123 | H | A | -0.6130 | |
| 124 | D | A | -0.7230 | |
| 125 | G | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | Q | A | -0.6092 | |
| 130 | Y | A | -0.3765 | |
| 131 | A | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | D | A | -0.8102 | |
| 135 | A | A | 0.0000 | |
| 136 | V | A | 0.0689 | |
| 137 | Q | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | K | A | -2.1443 | |
| 141 | I | A | 0.0000 | |
| 142 | P | A | -1.5722 | |
| 143 | K | A | -2.4799 | |
| 144 | G | A | -1.6868 | |
| 145 | T | A | -1.1346 | |
| 146 | N | A | -1.4508 | |
| 147 | L | A | -0.8932 | |
| 148 | A | A | 0.0000 | |
| 149 | D | A | -0.9275 | |
| 150 | V | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | C | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | K | A | -1.0235 | |
| 163 | A | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | K | A | -1.9061 | |
| 166 | T | A | -1.3702 | |
| 167 | A | A | 0.0000 | |
| 168 | E | A | -2.2099 | |
| 169 | L | A | -1.2415 | |
| 170 | S | A | -0.9509 | |
| 171 | P | A | -0.7352 | |
| 172 | G | A | -0.9956 | |
| 173 | Q | A | -0.9775 | |
| 174 | W | A | -1.0321 | |
| 175 | V | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | G | A | 0.3028 | |
| 180 | A | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | G | A | -0.2781 | |
| 183 | G | A | -0.0532 | |
| 184 | L | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | Q | A | 0.0000 | |
| 191 | Y | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | V | A | 0.1940 | |
| 194 | A | A | 0.0540 | |
| 195 | M | A | -0.1243 | |
| 196 | G | A | -0.3882 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -1.4713 | |
| 199 | V | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | D | A | -0.0832 | |
| 204 | G | A | -1.0762 | |
| 205 | G | A | -2.2615 | |
| 206 | D | A | -3.3203 | |
| 207 | E | A | -3.5406 | |
| 208 | K | A | -2.7117 | |
| 209 | A | A | -2.6009 | |
| 210 | K | A | -3.3618 | |
| 211 | L | A | -2.0562 | |
| 212 | F | A | 0.0000 | |
| 213 | E | A | -2.6911 | |
| 214 | S | A | -1.6262 | |
| 215 | L | A | -1.0407 | |
| 216 | G | A | -1.0605 | |
| 217 | G | A | -1.5580 | |
| 218 | E | A | -1.7658 | |
| 219 | V | A | -0.6031 | |
| 220 | F | A | -0.2547 | |
| 221 | I | A | 0.0000 | |
| 222 | D | A | -0.6638 | |
| 223 | F | A | 0.2892 | |
| 224 | T | A | -0.6647 | |
| 225 | K | A | -2.2537 | |
| 226 | E | A | -2.3726 | |
| 227 | K | A | -2.9661 | |
| 228 | D | A | -2.6063 | |
| 229 | I | A | -1.4453 | |
| 230 | V | A | -1.1919 | |
| 231 | G | A | -1.6066 | |
| 232 | A | A | -1.6385 | |
| 233 | V | A | 0.0000 | |
| 234 | Q | A | -2.1669 | |
| 235 | K | A | -2.5499 | |
| 236 | A | A | -1.5280 | |
| 237 | T | A | 0.0000 | |
| 238 | N | A | -2.2188 | |
| 239 | G | A | -1.6577 | |
| 240 | G | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | H | A | -0.3552 | |
| 243 | G | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | S | A | 0.9211 | |
| 249 | V | A | 1.6622 | |
| 250 | S | A | 0.7797 | |
| 251 | P | A | 0.4866 | |
| 252 | A | A | 0.0168 | |
| 253 | A | A | 0.2412 | |
| 254 | I | A | 0.0000 | |
| 255 | S | A | -0.7906 | |
| 256 | Q | A | -1.1716 | |
| 257 | S | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | Q | A | -1.3456 | |
| 260 | Y | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | R | A | -0.6317 | |
| 263 | T | A | 0.4798 | |
| 264 | L | A | 1.3988 | |
| 265 | G | A | 0.0000 | |
| 266 | K | A | -0.5865 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | 0.4622 | |
| 270 | V | A | 0.7146 | |
| 271 | G | A | 1.0447 | |
| 272 | L | A | 1.4254 | |
| 273 | P | A | 0.0000 | |
| 274 | A | A | 0.1425 | |
| 275 | G | A | -0.0142 | |
| 276 | A | A | 0.8892 | |
| 277 | V | A | 1.3437 | |
| 278 | C | A | 0.1451 | |
| 279 | E | A | -1.2969 | |
| 280 | S | A | -0.1479 | |
| 281 | P | A | 0.8049 | |
| 282 | V | A | 2.9030 | |
| 283 | F | A | 3.4492 | |
| 284 | E | A | 1.8142 | |
| 285 | H | A | 2.0606 | |
| 286 | V | A | 3.4071 | |
| 287 | I | A | 3.2368 | |
| 288 | K | A | 1.5638 | |
| 289 | S | A | 1.2482 | |
| 290 | I | A | 0.0000 | |
| 291 | Q | A | -0.3217 | |
| 292 | I | A | -0.0937 | |
| 293 | R | A | -0.5334 | |
| 294 | G | A | -0.2396 | |
| 295 | S | A | -0.1359 | |
| 296 | Y | A | 0.2835 | |
| 297 | V | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | N | A | -1.4910 | |
| 300 | R | A | -2.0985 | |
| 301 | Q | A | -2.1314 | |
| 302 | D | A | -1.7584 | |
| 303 | T | A | 0.0000 | |
| 304 | A | A | -1.5462 | |
| 305 | E | A | -1.2049 | |
| 306 | S | A | 0.0000 | |
| 307 | I | A | 0.0000 | |
| 308 | D | A | -1.1450 | |
| 309 | F | A | -1.1240 | |
| 310 | F | A | 0.0000 | |
| 311 | V | A | -0.3418 | |
| 312 | R | A | -1.7834 | |
| 313 | G | A | -1.7723 | |
| 314 | K | A | -1.7678 | |
| 315 | V | A | 0.0000 | |
| 316 | K | A | -1.7554 | |
| 317 | A | A | -0.9283 | |
| 318 | P | A | -0.5567 | |
| 319 | I | A | -0.3616 | |
| 320 | K | A | -0.9667 | |
| 321 | V | A | 0.2807 | |
| 322 | V | A | -0.3338 | |
| 323 | G | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | S | A | -1.0412 | |
| 326 | E | A | -1.2278 | |
| 327 | L | A | 0.0000 | |
| 328 | P | A | -1.1563 | |
| 329 | K | A | -2.1081 | |
| 330 | V | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | E | A | -3.1396 | |
| 333 | L | A | -2.3472 | |
| 334 | M | A | -2.2632 | |
| 335 | E | A | -3.0244 | |
| 336 | Q | A | -2.7930 | |
| 337 | G | A | -2.1700 | |
| 338 | K | A | -2.8518 | |
| 339 | I | A | 0.0000 | |
| 340 | A | A | -0.9691 | |
| 341 | G | A | 0.0000 | |
| 342 | R | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | D | A | -0.7391 | |
| 347 | T | A | 0.0000 | |
| 348 | S | A | -1.3916 | |
| 349 | K | A | -2.0737 |
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