| Chain sequence(s) |
A: MKTLIAAYSGVLRGERQAEADRSQRSHGGPALSREGSGRWGTGSSILSALQDLFSVTWLNRSKVEKQLQVISVLQWVLSFLVLGVACSAILMYIFCTDCWLIAVLYFTWLVFDWNTPKKGGRRSQWVRNWAVWRYFRDYFPIQLVKTHNLLTTRNYIFGYHPHGIMGLGAFCNFSTEATEVSKKFPGIRPYLATLAGNFRMPVLREYLMSGGICPVSRDTIDYLLSKNGSGNAIIIVVGGAAESLSSMPGKNAVTLRNRKGFVKLALRHGADLVPIYSFGENEVYKQVIFEEGSWGRWVQKKFQKYIGFAPCIFHGRGLFSSDTWGLVPYSKPITTVVGEPITIPKLEHPTQQDIDLYHTMYMEALVKLFDKHKTKFGLPETEVLEVN
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 (00:07:55)
[INFO] Main: Simulation completed successfully. (00:07:58)
|
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 | 0.8405 | |
| 2 | K | A | -0.4869 | |
| 3 | T | A | 0.3168 | |
| 4 | L | A | 1.2925 | |
| 5 | I | A | 1.6350 | |
| 6 | A | A | 0.7882 | |
| 7 | A | A | 0.9379 | |
| 8 | Y | A | 1.1191 | |
| 9 | S | A | 0.3791 | |
| 10 | G | A | -0.3033 | |
| 11 | V | A | -0.5740 | |
| 12 | L | A | -1.0180 | |
| 13 | R | A | -2.8176 | |
| 14 | G | A | -2.5940 | |
| 15 | E | A | -3.0151 | |
| 16 | R | A | -4.2512 | |
| 17 | Q | A | -3.9515 | |
| 18 | A | A | -3.4202 | |
| 19 | E | A | -4.2000 | |
| 20 | A | A | -3.4745 | |
| 21 | D | A | -3.6888 | |
| 22 | R | A | -4.4454 | |
| 23 | S | A | -3.3320 | |
| 24 | Q | A | -3.6663 | |
| 25 | R | A | -3.8493 | |
| 26 | S | A | -2.7062 | |
| 27 | H | A | -2.5687 | |
| 28 | G | A | -1.8883 | |
| 29 | G | A | -1.2438 | |
| 30 | P | A | -0.2262 | |
| 31 | A | A | 0.5029 | |
| 32 | L | A | 1.0619 | |
| 33 | S | A | -0.6847 | |
| 34 | R | A | -2.6789 | |
| 35 | E | A | -3.1256 | |
| 36 | G | A | -2.1784 | |
| 37 | S | A | -1.3818 | |
| 38 | G | A | -1.5194 | |
| 39 | R | A | -1.7318 | |
| 40 | W | A | -0.1686 | |
| 41 | G | A | -0.6246 | |
| 42 | T | A | 0.0815 | |
| 43 | G | A | 0.4638 | |
| 44 | S | A | 0.5431 | |
| 45 | S | A | 0.5919 | |
| 46 | I | A | 1.6431 | |
| 47 | L | A | 1.7519 | |
| 48 | S | A | 0.5796 | |
| 49 | A | A | 0.8454 | |
| 50 | L | A | 1.6578 | |
| 51 | Q | A | 0.1999 | |
| 52 | D | A | 0.0452 | |
| 53 | L | A | 2.3941 | |
| 54 | F | A | 2.6574 | |
| 55 | S | A | 1.6283 | |
| 56 | V | A | 2.2420 | |
| 57 | T | A | 1.3625 | |
| 58 | W | A | 1.7496 | |
| 59 | L | A | 1.4629 | |
| 60 | N | A | -0.6729 | |
| 61 | R | A | -1.8593 | |
| 62 | S | A | -1.7814 | |
| 63 | K | A | -2.6018 | |
| 64 | V | A | -1.5480 | |
| 65 | E | A | -2.4297 | |
| 66 | K | A | -3.0425 | |
| 67 | Q | A | -1.5065 | |
| 68 | L | A | -0.8218 | |
| 69 | Q | A | -1.2036 | |
| 70 | V | A | 0.0000 | |
| 71 | I | A | 0.2866 | |
| 72 | S | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.7627 | |
| 75 | Q | A | 0.2680 | |
| 76 | W | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 1.4708 | |
| 79 | S | A | 0.0000 | |
| 80 | F | A | 1.6323 | |
| 81 | L | A | 2.0940 | |
| 82 | V | A | 2.3937 | |
| 83 | L | A | 2.0088 | |
| 84 | G | A | 0.0000 | |
| 85 | V | A | 2.7680 | |
| 86 | A | A | 2.0608 | |
| 87 | C | A | 2.0076 | |
| 88 | S | A | 1.7537 | |
| 89 | A | A | 2.0263 | |
| 90 | I | A | 2.8389 | |
| 91 | L | A | 0.0000 | |
| 92 | M | A | 2.4897 | |
| 93 | Y | A | 3.0913 | |
| 94 | I | A | 2.9108 | |
| 95 | F | A | 2.8719 | |
| 96 | C | A | 1.7024 | |
| 97 | T | A | 0.9758 | |
| 98 | D | A | -0.5204 | |
| 99 | C | A | 1.5953 | |
| 100 | W | A | 2.9669 | |
| 101 | L | A | 3.0519 | |
| 102 | I | A | 3.7499 | |
| 103 | A | A | 0.0000 | |
| 104 | V | A | 3.2557 | |
| 105 | L | A | 3.4011 | |
| 106 | Y | A | 3.0629 | |
| 107 | F | A | 2.9933 | |
| 108 | T | A | 2.8423 | |
| 109 | W | A | 2.7887 | |
| 110 | L | A | 0.0000 | |
| 111 | V | A | 3.3425 | |
| 112 | F | A | 3.2492 | |
| 113 | D | A | 0.0000 | |
| 114 | W | A | 1.4834 | |
| 115 | N | A | -0.6315 | |
| 116 | T | A | -0.8771 | |
| 117 | P | A | 0.0000 | |
| 118 | K | A | -2.0741 | |
| 119 | K | A | -2.7881 | |
| 120 | G | A | 0.0000 | |
| 121 | G | A | -1.5388 | |
| 122 | R | A | -1.6650 | |
| 123 | R | A | -1.5216 | |
| 124 | S | A | -1.0485 | |
| 125 | Q | A | -1.2680 | |
| 126 | W | A | 0.1066 | |
| 127 | V | A | 0.0000 | |
| 128 | R | A | 0.0000 | |
| 129 | N | A | -1.3171 | |
| 130 | W | A | -0.2541 | |
| 131 | A | A | -0.1074 | |
| 132 | V | A | -0.0307 | |
| 133 | W | A | 0.0000 | |
| 134 | R | A | -1.2871 | |
| 135 | Y | A | -1.0040 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -1.2504 | |
| 138 | D | A | -1.6140 | |
| 139 | Y | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | P | A | -1.2014 | |
| 142 | I | A | 0.0000 | |
| 143 | Q | A | -1.4694 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | -0.2898 | |
| 146 | K | A | -1.2192 | |
| 147 | T | A | -1.1527 | |
| 148 | H | A | -1.5654 | |
| 149 | N | A | -1.5481 | |
| 150 | L | A | -0.4180 | |
| 151 | L | A | 0.9257 | |
| 152 | T | A | 0.0315 | |
| 153 | T | A | -0.0371 | |
| 154 | R | A | -0.3128 | |
| 155 | N | A | -0.4530 | |
| 156 | Y | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | H | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | H | A | -0.0796 | |
| 164 | G | A | 0.0000 | |
| 165 | I | A | 0.1623 | |
| 166 | M | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | N | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | E | A | -1.4027 | |
| 178 | A | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | E | A | -2.0604 | |
| 181 | V | A | 0.0000 | |
| 182 | S | A | -1.7285 | |
| 183 | K | A | -2.5112 | |
| 184 | K | A | -2.0692 | |
| 185 | F | A | 0.0000 | |
| 186 | P | A | -1.3432 | |
| 187 | G | A | -0.8116 | |
| 188 | I | A | 0.0000 | |
| 189 | R | A | -0.7396 | |
| 190 | P | A | -0.3839 | |
| 191 | Y | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | T | A | 0.4307 | |
| 195 | L | A | 0.7651 | |
| 196 | A | A | -0.1207 | |
| 197 | G | A | -0.3110 | |
| 198 | N | A | -0.2235 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -1.5272 | |
| 201 | M | A | -0.0911 | |
| 202 | P | A | 0.0000 | |
| 203 | V | A | 0.9296 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | E | A | -0.1244 | |
| 207 | Y | A | 0.0931 | |
| 208 | L | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | S | A | -0.7375 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | P | A | 0.0000 | |
| 216 | V | A | 0.2195 | |
| 217 | S | A | -1.2023 | |
| 218 | R | A | -2.8182 | |
| 219 | D | A | -3.1059 | |
| 220 | T | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | D | A | -2.5169 | |
| 223 | Y | A | -2.1693 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.5139 | |
| 227 | K | A | -2.3527 | |
| 228 | N | A | -1.7061 | |
| 229 | G | A | -1.3163 | |
| 230 | S | A | -0.8716 | |
| 231 | G | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | V | A | 0.2335 | |
| 238 | V | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | G | A | -0.0011 | |
| 241 | A | A | -0.1591 | |
| 242 | A | A | -0.4050 | |
| 243 | E | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -0.0003 | |
| 247 | S | A | 0.0000 | |
| 248 | M | A | -0.4059 | |
| 249 | P | A | -1.0206 | |
| 250 | G | A | -1.0557 | |
| 251 | K | A | -1.6262 | |
| 252 | N | A | -0.9419 | |
| 253 | A | A | -1.1841 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -1.6593 | |
| 256 | L | A | 0.0000 | |
| 257 | R | A | -3.2624 | |
| 258 | N | A | -3.1679 | |
| 259 | R | A | -2.9940 | |
| 260 | K | A | -2.4078 | |
| 261 | G | A | -1.7078 | |
| 262 | F | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | K | A | -1.9864 | |
| 265 | L | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -2.6153 | |
| 269 | H | A | -1.7511 | |
| 270 | G | A | -1.6534 | |
| 271 | A | A | 0.0000 | |
| 272 | D | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | G | A | -0.6730 | |
| 281 | E | A | 0.0000 | |
| 282 | N | A | -0.8983 | |
| 283 | E | A | -1.1282 | |
| 284 | V | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | K | A | -0.6425 | |
| 287 | Q | A | 0.8191 | |
| 288 | V | A | 1.8535 | |
| 289 | I | A | 0.9190 | |
| 290 | F | A | 0.1340 | |
| 291 | E | A | -2.1083 | |
| 292 | E | A | -2.4781 | |
| 293 | G | A | -1.2917 | |
| 294 | S | A | -0.4420 | |
| 295 | W | A | 0.9522 | |
| 296 | G | A | 0.4350 | |
| 297 | R | A | -0.3352 | |
| 298 | W | A | 0.5911 | |
| 299 | V | A | 0.7188 | |
| 300 | Q | A | 0.0000 | |
| 301 | K | A | -1.3012 | |
| 302 | K | A | -0.6855 | |
| 303 | F | A | 0.7656 | |
| 304 | Q | A | -0.1550 | |
| 305 | K | A | -1.0435 | |
| 306 | Y | A | 1.1094 | |
| 307 | I | A | 1.9010 | |
| 308 | G | A | 0.5956 | |
| 309 | F | A | 1.0258 | |
| 310 | A | A | 0.2909 | |
| 311 | P | A | 0.7430 | |
| 312 | C | A | 1.2033 | |
| 313 | I | A | 1.9820 | |
| 314 | F | A | 0.9845 | |
| 315 | H | A | 0.3260 | |
| 316 | G | A | 0.0000 | |
| 317 | R | A | -0.0522 | |
| 318 | G | A | 0.6243 | |
| 319 | L | A | 1.2693 | |
| 320 | F | A | 1.6706 | |
| 321 | S | A | 0.3592 | |
| 322 | S | A | -0.5568 | |
| 323 | D | A | -1.4392 | |
| 324 | T | A | -0.1824 | |
| 325 | W | A | 0.6579 | |
| 326 | G | A | 0.6366 | |
| 327 | L | A | 0.8113 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | 0.0000 | |
| 330 | Y | A | -0.5640 | |
| 331 | S | A | -0.6811 | |
| 332 | K | A | -0.9634 | |
| 333 | P | A | -1.0009 | |
| 334 | I | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | E | A | -2.1654 | |
| 341 | P | A | -0.8954 | |
| 342 | I | A | -0.2141 | |
| 343 | T | A | -0.4546 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | -1.2685 | |
| 346 | K | A | -2.4840 | |
| 347 | L | A | -2.1011 | |
| 348 | E | A | -2.9731 | |
| 349 | H | A | -2.4329 | |
| 350 | P | A | 0.0000 | |
| 351 | T | A | -1.6270 | |
| 352 | Q | A | -2.1817 | |
| 353 | Q | A | -1.8440 | |
| 354 | D | A | -1.2735 | |
| 355 | I | A | 0.0000 | |
| 356 | D | A | -0.9573 | |
| 357 | L | A | 0.3505 | |
| 358 | Y | A | 0.0934 | |
| 359 | H | A | 0.0000 | |
| 360 | T | A | -0.3434 | |
| 361 | M | A | 0.0943 | |
| 362 | Y | A | 0.0000 | |
| 363 | M | A | -0.9409 | |
| 364 | E | A | -1.8565 | |
| 365 | A | A | -1.6062 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | -1.4666 | |
| 368 | K | A | -2.9627 | |
| 369 | L | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | D | A | -3.2167 | |
| 372 | K | A | -3.4123 | |
| 373 | H | A | 0.0000 | |
| 374 | K | A | 0.0000 | |
| 375 | T | A | -2.0064 | |
| 376 | K | A | -2.2490 | |
| 377 | F | A | -0.5779 | |
| 378 | G | A | -0.8798 | |
| 379 | L | A | -0.8033 | |
| 380 | P | A | -1.1056 | |
| 381 | E | A | -2.4383 | |
| 382 | T | A | -0.8913 | |
| 383 | E | A | -0.7772 | |
| 384 | V | A | 0.4358 | |
| 385 | L | A | 0.0000 | |
| 386 | E | A | -1.7720 | |
| 387 | V | A | -1.6102 | |
| 388 | N | A | -2.6402 |
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