| Chain sequence(s) |
A: MYIYKFLSLLLIMNKNKYLKYKTKYKSLKSRLQDENMDGGAITKQAIITNDNVQLTPKVSHSERFIEFDFPEISISSVEYPQGPTGCTYIRFNTNNVSYYVDSRGGSVMTYASNLSRSNNRAIRGICFAGGSFLGLEAVSGCVIEELKNTDYVCMSKCIVTGASLRSGNMNFNNIYPDKNLGRFAVQNAIENKIYLGQVGAGCMAGDGKYGQGAAFHNYNGVKIFVFTAVNALGSIYNSKGELLRDRKSIPVNVNVLDPKADKNTTLTAVITDLSLNVIELEQLAIQCHTNMASIIRPFHTIGDGDVLFGITLGKVNRETITNFNIRDFYNVCSKITNEAILSCYD
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 (00:06:04)
[INFO] Main: Simulation completed successfully. (00:06:06)
|
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 | 2.2517 | |
| 2 | Y | A | 3.1521 | |
| 3 | I | A | 3.9049 | |
| 4 | Y | A | 3.1558 | |
| 5 | K | A | 2.1383 | |
| 6 | F | A | 3.9780 | |
| 7 | L | A | 4.1247 | |
| 8 | S | A | 3.1527 | |
| 9 | L | A | 4.1079 | |
| 10 | L | A | 4.1302 | |
| 11 | L | A | 3.6123 | |
| 12 | I | A | 3.4868 | |
| 13 | M | A | 1.8380 | |
| 14 | N | A | -0.2460 | |
| 15 | K | A | -1.5555 | |
| 16 | N | A | -2.3628 | |
| 17 | K | A | -2.2451 | |
| 18 | Y | A | -1.6933 | |
| 19 | L | A | -1.6412 | |
| 20 | K | A | -2.5459 | |
| 21 | Y | A | 0.0000 | |
| 22 | K | A | -1.7748 | |
| 23 | T | A | -1.7970 | |
| 24 | K | A | -1.6827 | |
| 25 | Y | A | -1.8031 | |
| 26 | K | A | -2.7941 | |
| 27 | S | A | -1.8048 | |
| 28 | L | A | -1.7944 | |
| 29 | K | A | -3.1015 | |
| 30 | S | A | -3.0541 | |
| 31 | R | A | -3.6529 | |
| 32 | L | A | -2.8064 | |
| 33 | Q | A | -3.3841 | |
| 34 | D | A | -4.2206 | |
| 35 | E | A | -4.1631 | |
| 36 | N | A | -2.9563 | |
| 37 | M | A | -1.7885 | |
| 38 | D | A | -2.4576 | |
| 39 | G | A | -1.4391 | |
| 40 | G | A | -0.9750 | |
| 41 | A | A | 0.1944 | |
| 42 | I | A | 0.2811 | |
| 43 | T | A | -0.5129 | |
| 44 | K | A | -1.3287 | |
| 45 | Q | A | -1.1175 | |
| 46 | A | A | 0.0447 | |
| 47 | I | A | 1.4063 | |
| 48 | I | A | 1.0304 | |
| 49 | T | A | -0.2048 | |
| 50 | N | A | -1.1898 | |
| 51 | D | A | -2.1454 | |
| 52 | N | A | -1.5097 | |
| 53 | V | A | -1.1206 | |
| 54 | Q | A | -1.5670 | |
| 55 | L | A | -1.0914 | |
| 56 | T | A | -0.7900 | |
| 57 | P | A | -0.9616 | |
| 58 | K | A | -1.2558 | |
| 59 | V | A | -0.2593 | |
| 60 | S | A | 0.0000 | |
| 61 | H | A | -1.1977 | |
| 62 | S | A | -1.6444 | |
| 63 | E | A | -2.4567 | |
| 64 | R | A | -1.2276 | |
| 65 | F | A | 0.0200 | |
| 66 | I | A | -0.1698 | |
| 67 | E | A | -2.1792 | |
| 68 | F | A | 0.0000 | |
| 69 | D | A | -2.9079 | |
| 70 | F | A | 0.0000 | |
| 71 | P | A | -1.3643 | |
| 72 | E | A | -1.6227 | |
| 73 | I | A | 0.0000 | |
| 74 | S | A | -0.8186 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | E | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | P | A | -0.5223 | |
| 82 | Q | A | -0.5072 | |
| 83 | G | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | Y | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | R | A | -0.7278 | |
| 92 | F | A | 0.0000 | |
| 93 | N | A | -1.5836 | |
| 94 | T | A | -1.7062 | |
| 95 | N | A | -2.3408 | |
| 96 | N | A | -2.5605 | |
| 97 | V | A | 0.0000 | |
| 98 | S | A | -0.8814 | |
| 99 | Y | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | S | A | -0.2757 | |
| 104 | R | A | -0.4236 | |
| 105 | G | A | -0.1118 | |
| 106 | G | A | 0.2271 | |
| 107 | S | A | -0.2757 | |
| 108 | V | A | 0.6523 | |
| 109 | M | A | 1.0177 | |
| 110 | T | A | 0.5948 | |
| 111 | Y | A | 0.5095 | |
| 112 | A | A | -0.0484 | |
| 113 | S | A | -0.6625 | |
| 114 | N | A | -1.6551 | |
| 115 | L | A | -1.3463 | |
| 116 | S | A | 0.0000 | |
| 117 | R | A | -2.5148 | |
| 118 | S | A | -2.2370 | |
| 119 | N | A | -2.1629 | |
| 120 | N | A | -2.4145 | |
| 121 | R | A | -1.6312 | |
| 122 | A | A | -1.5183 | |
| 123 | I | A | 0.0000 | |
| 124 | R | A | -1.1565 | |
| 125 | G | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | C | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | S | A | 0.8800 | |
| 133 | F | A | 2.1677 | |
| 134 | L | A | 1.0637 | |
| 135 | G | A | 0.0000 | |
| 136 | L | A | 0.5321 | |
| 137 | E | A | -0.6555 | |
| 138 | A | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | -0.3566 | |
| 141 | G | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | V | A | 0.1277 | |
| 144 | I | A | 0.4386 | |
| 145 | E | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | L | A | -0.1545 | |
| 148 | K | A | -1.5005 | |
| 149 | N | A | -1.9023 | |
| 150 | T | A | -0.9243 | |
| 151 | D | A | -1.3339 | |
| 152 | Y | A | 0.9895 | |
| 153 | V | A | 1.6153 | |
| 154 | C | A | 0.6916 | |
| 155 | M | A | 0.8601 | |
| 156 | S | A | -0.3369 | |
| 157 | K | A | -1.2378 | |
| 158 | C | A | 0.0000 | |
| 159 | I | A | 0.0869 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | R | A | -0.6453 | |
| 167 | S | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | M | A | -0.4329 | |
| 171 | N | A | -1.1918 | |
| 172 | F | A | -0.2373 | |
| 173 | N | A | 0.0000 | |
| 174 | N | A | 0.0785 | |
| 175 | I | A | 0.0000 | |
| 176 | Y | A | 0.0445 | |
| 177 | P | A | 0.0000 | |
| 178 | D | A | -1.2300 | |
| 179 | K | A | -1.8419 | |
| 180 | N | A | -1.8366 | |
| 181 | L | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | R | A | -1.4101 | |
| 184 | F | A | -0.9512 | |
| 185 | A | A | 0.0000 | |
| 186 | V | A | -0.5496 | |
| 187 | Q | A | -1.2534 | |
| 188 | N | A | -0.5186 | |
| 189 | A | A | -0.1525 | |
| 190 | I | A | 0.1110 | |
| 191 | E | A | -2.1359 | |
| 192 | N | A | -2.2519 | |
| 193 | K | A | -1.4007 | |
| 194 | I | A | 0.0000 | |
| 195 | Y | A | -0.3357 | |
| 196 | L | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | Q | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | C | A | 0.0000 | |
| 204 | M | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | D | A | -1.1760 | |
| 208 | G | A | 0.0000 | |
| 209 | K | A | -1.6823 | |
| 210 | Y | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | Q | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | F | A | -0.7665 | |
| 217 | H | A | -1.2218 | |
| 218 | N | A | -2.0509 | |
| 219 | Y | A | -1.2170 | |
| 220 | N | A | -1.7142 | |
| 221 | G | A | -1.3383 | |
| 222 | V | A | 0.0000 | |
| 223 | K | A | -1.4680 | |
| 224 | I | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | F | A | 0.0000 | |
| 228 | T | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | N | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | L | A | -0.5459 | |
| 234 | G | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | Y | A | -0.5375 | |
| 238 | N | A | -0.9596 | |
| 239 | S | A | -1.3015 | |
| 240 | K | A | -2.1894 | |
| 241 | G | A | -1.5281 | |
| 242 | E | A | -1.3377 | |
| 243 | L | A | -0.0194 | |
| 244 | L | A | 0.1946 | |
| 245 | R | A | -1.2851 | |
| 246 | D | A | -1.8520 | |
| 247 | R | A | 0.0000 | |
| 248 | K | A | -2.0926 | |
| 249 | S | A | -0.4094 | |
| 250 | I | A | 0.6476 | |
| 251 | P | A | 0.5548 | |
| 252 | V | A | 1.3540 | |
| 253 | N | A | -0.2266 | |
| 254 | V | A | 0.0545 | |
| 255 | N | A | -0.8509 | |
| 256 | V | A | 0.2545 | |
| 257 | L | A | 1.0812 | |
| 258 | D | A | -0.7362 | |
| 259 | P | A | -1.3648 | |
| 260 | K | A | -2.3373 | |
| 261 | A | A | -1.6402 | |
| 262 | D | A | -2.3273 | |
| 263 | K | A | -2.0400 | |
| 264 | N | A | 0.0000 | |
| 265 | T | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | D | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -1.3425 | |
| 276 | L | A | -0.3449 | |
| 277 | N | A | 0.1103 | |
| 278 | V | A | 1.2731 | |
| 279 | I | A | 1.8563 | |
| 280 | E | A | 0.4921 | |
| 281 | L | A | 0.0000 | |
| 282 | E | A | -0.3174 | |
| 283 | Q | A | -0.4631 | |
| 284 | L | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | -0.1173 | |
| 287 | Q | A | -0.4051 | |
| 288 | C | A | 0.0000 | |
| 289 | H | A | 0.0000 | |
| 290 | T | A | -0.1596 | |
| 291 | N | A | -0.6711 | |
| 292 | M | A | 0.0000 | |
| 293 | A | A | -0.4521 | |
| 294 | S | A | -0.6648 | |
| 295 | I | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | R | A | -1.1637 | |
| 298 | P | A | -0.8283 | |
| 299 | F | A | -0.2993 | |
| 300 | H | A | -0.2345 | |
| 301 | T | A | 0.3351 | |
| 302 | I | A | 1.5766 | |
| 303 | G | A | 0.0000 | |
| 304 | D | A | 0.0000 | |
| 305 | G | A | 0.0000 | |
| 306 | D | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | G | A | -1.7521 | |
| 315 | K | A | -2.0989 | |
| 316 | V | A | -1.4991 | |
| 317 | N | A | -2.0081 | |
| 318 | R | A | -2.2756 | |
| 319 | E | A | -2.4359 | |
| 320 | T | A | -1.4113 | |
| 321 | I | A | -1.4269 | |
| 322 | T | A | -1.2535 | |
| 323 | N | A | -1.6932 | |
| 324 | F | A | -1.8636 | |
| 325 | N | A | -2.2538 | |
| 326 | I | A | -1.6399 | |
| 327 | R | A | -2.6651 | |
| 328 | D | A | -2.4553 | |
| 329 | F | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | N | A | -1.7043 | |
| 332 | V | A | -1.1310 | |
| 333 | C | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | K | A | -2.1655 | |
| 336 | I | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | N | A | -1.3128 | |
| 339 | E | A | -1.5734 | |
| 340 | A | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | L | A | -0.1510 | |
| 343 | S | A | -0.2451 | |
| 344 | C | A | 0.0000 | |
| 345 | Y | A | -0.7883 | |
| 346 | D | A | -2.1849 |
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