| Chain sequence(s) |
A: SNLLTVHQNLPALPVDATSDEVRKNLMDMFRDRQAFSEHTWKMLLSVCRSWAAWCKLNNRKWFPAEPEDVRDYLLYLQARGLAVKTIQQHLGQLNMLHRRSGLPRPSDSNAVSLVMRRIRKENVDAGERAKQALAFERTDFDQVRSLMENSDRCQDIRNLAFLGIAYNTLLRIAEIARIRVKDISRTDGGRMLIHIGRTKTLVSTAGVEKALSLGVTKLVERWISVSGVADDPNNYLFCRVRKNGVAAPSATSQLSTRALEGIFEATHRLIYGAKDDSGQRYLAWSGHSARVGAARDMARAGVSIPEIMQAGGWTNVNIVMNYIRNLDSETGAMVRLLEDGD
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 (00:05:12)
[INFO] Main: Simulation completed successfully. (00:05:14)
|
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 | |
| 53 | S | A | -0.4552 | |
| 54 | N | A | -1.0979 | |
| 55 | L | A | 0.1172 | |
| 56 | L | A | 0.2274 | |
| 57 | T | A | 0.0545 | |
| 58 | V | A | -0.5247 | |
| 59 | H | A | -0.8798 | |
| 60 | Q | A | -1.4785 | |
| 61 | N | A | -1.3939 | |
| 62 | L | A | 0.0000 | |
| 63 | P | A | -0.7101 | |
| 64 | A | A | -0.0336 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | -0.5731 | |
| 67 | V | A | -0.6591 | |
| 68 | D | A | -1.7796 | |
| 69 | A | A | -1.1468 | |
| 70 | T | A | -1.3043 | |
| 71 | S | A | -1.8647 | |
| 72 | D | A | -2.9715 | |
| 73 | E | A | -3.3930 | |
| 74 | V | A | 0.0000 | |
| 75 | R | A | -2.3190 | |
| 76 | K | A | -3.3649 | |
| 77 | N | A | -3.4329 | |
| 78 | L | A | 0.0000 | |
| 79 | M | A | -1.8202 | |
| 80 | D | A | -2.7639 | |
| 81 | M | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | R | A | -3.0391 | |
| 84 | D | A | -2.7138 | |
| 85 | R | A | -2.9304 | |
| 86 | Q | A | -2.5296 | |
| 87 | A | A | -1.5061 | |
| 88 | F | A | -1.5384 | |
| 89 | S | A | -2.0876 | |
| 90 | E | A | -3.1152 | |
| 91 | H | A | -2.3894 | |
| 92 | T | A | -1.5860 | |
| 93 | W | A | 0.0000 | |
| 94 | K | A | -2.3314 | |
| 95 | M | A | -1.2591 | |
| 96 | L | A | 0.0000 | |
| 97 | L | A | -0.9915 | |
| 98 | S | A | -1.0113 | |
| 99 | V | A | 0.0000 | |
| 100 | C | A | 0.0000 | |
| 101 | R | A | -1.7074 | |
| 102 | S | A | -0.8871 | |
| 103 | W | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | A | A | -0.9381 | |
| 106 | W | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | K | A | -2.1148 | |
| 109 | L | A | -0.1064 | |
| 110 | N | A | -1.5335 | |
| 111 | N | A | -2.4092 | |
| 112 | R | A | -2.7420 | |
| 113 | K | A | -3.0631 | |
| 114 | W | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | P | A | -1.0585 | |
| 117 | A | A | 0.0000 | |
| 118 | E | A | -3.0952 | |
| 119 | P | A | -2.8505 | |
| 120 | E | A | -3.0982 | |
| 121 | D | A | -2.6335 | |
| 122 | V | A | 0.0000 | |
| 123 | R | A | -1.7773 | |
| 124 | D | A | -1.3686 | |
| 125 | Y | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | L | A | -0.2748 | |
| 128 | Y | A | -0.0219 | |
| 129 | L | A | 0.0000 | |
| 130 | Q | A | -0.8432 | |
| 131 | A | A | -0.7151 | |
| 132 | R | A | -1.7635 | |
| 133 | G | A | -1.0864 | |
| 134 | L | A | -0.4767 | |
| 135 | A | A | -1.2105 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -2.0267 | |
| 138 | T | A | -1.0991 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -1.4440 | |
| 141 | Q | A | -1.2695 | |
| 142 | H | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | G | A | -0.7190 | |
| 145 | Q | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | -1.6190 | |
| 148 | M | A | -1.2330 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | R | A | -3.0681 | |
| 152 | R | A | -2.8505 | |
| 153 | S | A | 0.0000 | |
| 154 | G | A | -2.3361 | |
| 155 | L | A | -1.3951 | |
| 156 | P | A | -1.8589 | |
| 157 | R | A | -2.8267 | |
| 158 | P | A | 0.0000 | |
| 159 | S | A | -1.5943 | |
| 160 | D | A | -2.6018 | |
| 161 | S | A | -2.1084 | |
| 162 | N | A | -1.5560 | |
| 163 | A | A | -1.4157 | |
| 164 | V | A | 0.0000 | |
| 165 | S | A | -0.9133 | |
| 166 | L | A | -0.1181 | |
| 167 | V | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | R | A | -2.9331 | |
| 170 | R | A | -3.2253 | |
| 171 | I | A | 0.0000 | |
| 172 | R | A | -3.4333 | |
| 173 | K | A | -3.8739 | |
| 174 | E | A | -3.3190 | |
| 175 | N | A | -2.1577 | |
| 176 | V | A | -1.4206 | |
| 177 | D | A | -2.4500 | |
| 178 | A | A | -1.5390 | |
| 179 | G | A | -1.4580 | |
| 180 | E | A | -2.0090 | |
| 181 | R | A | -2.4858 | |
| 182 | A | A | -2.0399 | |
| 183 | K | A | -2.5887 | |
| 184 | Q | A | -1.9064 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | 0.1122 | |
| 187 | A | A | -0.2048 | |
| 188 | F | A | 0.0000 | |
| 189 | E | A | -1.6978 | |
| 190 | R | A | -2.7421 | |
| 191 | T | A | -1.9874 | |
| 192 | D | A | -1.7719 | |
| 193 | F | A | 0.0000 | |
| 194 | D | A | -2.6993 | |
| 195 | Q | A | -1.7958 | |
| 196 | V | A | 0.0000 | |
| 197 | R | A | -1.4927 | |
| 198 | S | A | -1.0248 | |
| 199 | L | A | 0.3141 | |
| 200 | M | A | 0.0000 | |
| 201 | E | A | -2.1781 | |
| 202 | N | A | -2.4034 | |
| 203 | S | A | -2.3655 | |
| 204 | D | A | -3.1280 | |
| 205 | R | A | -2.7316 | |
| 206 | C | A | -1.5865 | |
| 207 | Q | A | -1.7911 | |
| 208 | D | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | R | A | -0.7322 | |
| 211 | N | A | -0.3853 | |
| 212 | L | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | N | A | -0.6292 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | R | A | -1.4807 | |
| 225 | I | A | 0.0000 | |
| 226 | A | A | -1.3375 | |
| 227 | E | A | -1.7953 | |
| 228 | I | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | R | A | -2.4744 | |
| 231 | I | A | 0.0000 | |
| 232 | R | A | -1.9371 | |
| 233 | V | A | -1.7457 | |
| 234 | K | A | -2.3445 | |
| 235 | D | A | -1.9244 | |
| 236 | I | A | -1.2478 | |
| 237 | S | A | -1.6578 | |
| 238 | R | A | -2.7173 | |
| 239 | T | A | -2.3955 | |
| 240 | D | A | -2.7514 | |
| 241 | G | A | -2.0083 | |
| 242 | G | A | -2.1341 | |
| 243 | R | A | -2.2853 | |
| 244 | M | A | 0.0000 | |
| 245 | L | A | -1.1431 | |
| 246 | I | A | 0.0000 | |
| 247 | H | A | -1.6696 | |
| 248 | I | A | 0.0000 | |
| 249 | G | A | -1.6471 | |
| 250 | R | A | -2.1223 | |
| 251 | T | A | 0.0000 | |
| 252 | K | A | -1.8693 | |
| 253 | T | A | -0.4847 | |
| 254 | L | A | 0.3799 | |
| 255 | V | A | 0.9924 | |
| 256 | S | A | 0.4585 | |
| 257 | T | A | 0.0029 | |
| 258 | A | A | -0.2728 | |
| 259 | G | A | -0.7759 | |
| 260 | V | A | -0.9228 | |
| 261 | E | A | -1.9175 | |
| 262 | K | A | -1.0157 | |
| 263 | A | A | -0.8600 | |
| 264 | L | A | 0.0000 | |
| 265 | S | A | -0.4232 | |
| 266 | L | A | -0.3534 | |
| 267 | G | A | -0.8339 | |
| 268 | V | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | K | A | -2.4143 | |
| 271 | L | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | E | A | -2.0494 | |
| 274 | R | A | -1.4580 | |
| 275 | W | A | 0.0000 | |
| 276 | I | A | -0.6174 | |
| 277 | S | A | -0.3623 | |
| 278 | V | A | 0.4870 | |
| 279 | S | A | 0.0000 | |
| 280 | G | A | -0.3527 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | -1.5521 | |
| 283 | D | A | -2.3208 | |
| 284 | D | A | -2.2560 | |
| 285 | P | A | -2.0777 | |
| 286 | N | A | -1.9334 | |
| 287 | N | A | 0.0000 | |
| 288 | Y | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | C | A | 0.0000 | |
| 292 | R | A | -2.1599 | |
| 293 | V | A | -1.9421 | |
| 294 | R | A | -3.0098 | |
| 295 | K | A | -3.1726 | |
| 296 | N | A | -2.3145 | |
| 297 | G | A | -2.0007 | |
| 298 | V | A | -0.2292 | |
| 299 | A | A | -0.4332 | |
| 300 | A | A | -0.5628 | |
| 301 | P | A | -0.7835 | |
| 302 | S | A | -0.7178 | |
| 303 | A | A | -0.6352 | |
| 304 | T | A | -0.3602 | |
| 305 | S | A | -0.8229 | |
| 306 | Q | A | -1.4271 | |
| 307 | L | A | 0.0000 | |
| 308 | S | A | -1.5413 | |
| 309 | T | A | -1.7394 | |
| 310 | R | A | -2.3464 | |
| 311 | A | A | -1.7138 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | -2.0798 | |
| 314 | G | A | -1.5144 | |
| 315 | I | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | E | A | -1.1937 | |
| 318 | A | A | -0.6390 | |
| 319 | T | A | 0.0000 | |
| 320 | H | A | -0.1413 | |
| 321 | R | A | -0.5493 | |
| 322 | L | A | 1.1968 | |
| 323 | I | A | 1.2033 | |
| 324 | Y | A | 1.1956 | |
| 325 | G | A | -0.0177 | |
| 326 | A | A | -1.0491 | |
| 327 | K | A | -2.4318 | |
| 328 | D | A | -3.2736 | |
| 329 | D | A | -3.2365 | |
| 330 | S | A | -2.5672 | |
| 331 | G | A | -2.4435 | |
| 332 | Q | A | -2.8416 | |
| 333 | R | A | -2.4820 | |
| 334 | Y | A | -0.9293 | |
| 335 | L | A | -1.3221 | |
| 336 | A | A | 0.0000 | |
| 337 | W | A | 0.0000 | |
| 338 | S | A | -0.6895 | |
| 339 | G | A | 0.0000 | |
| 340 | H | A | -0.7940 | |
| 341 | S | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | R | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | R | A | -1.1579 | |
| 349 | D | A | 0.0000 | |
| 350 | M | A | -0.7840 | |
| 351 | A | A | -0.9590 | |
| 352 | R | A | -1.7484 | |
| 353 | A | A | -0.7559 | |
| 354 | G | A | -0.6367 | |
| 355 | V | A | -0.3812 | |
| 356 | S | A | -0.5548 | |
| 357 | I | A | -0.1726 | |
| 358 | P | A | -1.0314 | |
| 359 | E | A | -2.0814 | |
| 360 | I | A | 0.0000 | |
| 361 | M | A | -1.0814 | |
| 362 | Q | A | -1.8278 | |
| 363 | A | A | -1.0859 | |
| 364 | G | A | -0.7957 | |
| 365 | G | A | -1.0023 | |
| 366 | W | A | 0.0000 | |
| 367 | T | A | -0.5283 | |
| 368 | N | A | -0.6753 | |
| 369 | V | A | 0.1020 | |
| 370 | N | A | -0.9601 | |
| 371 | I | A | -0.0911 | |
| 372 | V | A | 0.0000 | |
| 373 | M | A | -0.7835 | |
| 374 | N | A | -1.2790 | |
| 375 | Y | A | -0.9044 | |
| 376 | I | A | 0.0000 | |
| 377 | R | A | -3.2806 | |
| 378 | N | A | -3.1966 | |
| 379 | L | A | -2.8034 | |
| 380 | D | A | -3.2323 | |
| 381 | S | A | -2.4902 | |
| 382 | E | A | -2.8796 | |
| 383 | T | A | -1.8165 | |
| 384 | G | A | 0.0000 | |
| 385 | A | A | 0.0517 | |
| 386 | M | A | 0.8558 | |
| 387 | V | A | -0.1510 | |
| 388 | R | A | -1.6275 | |
| 389 | L | A | 0.4527 | |
| 390 | L | A | 0.1227 | |
| 391 | E | A | -2.5998 | |
| 392 | D | A | -2.8818 | |
| 393 | G | A | -2.2599 | |
| 394 | D | A | -2.9112 |
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