| Chain sequence(s) |
A: MLSRAVCGTSRQLAPALGYLGSRQPARALLPRRMGHRTLASTPALWASIPCPRSELRLDLVLPSGQSFRWREQSPAHWSGVLADQVWTLTQTEEQLHCTVYRGDKSQASRPTPDELEAVRKYFQLDVTLAQLYHHWGSVDSHFQEVAQKFQGVRLLRQDPIECLFSFICSSNNNIARITGMVERLCQAFGPRLIQLDDVTYHGFPSLQALAGPEVEAHLRKLGLGYRARYVSASARAILEEQGGLAWLQQLRESSYEEAHKALCILPGVGTKVADCICLMALDKPQAVPVDVHMWHIAQRDYSWHPTTSQAKGPSPQTNKELGNFFRSLWGPYAGWAQAVLFSADLRQSRHAQEPYPYDVPDYAHGLASTLTRWAHYNALIRAF
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 (00:04:08)
[INFO] Main: Simulation completed successfully. (00:04:10)
|
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 | 1.7486 | |
| 2 | L | A | 1.5170 | |
| 3 | S | A | -0.0800 | |
| 4 | R | A | -1.1690 | |
| 5 | A | A | 0.1418 | |
| 6 | V | A | 1.6431 | |
| 7 | C | A | 1.3606 | |
| 8 | G | A | -0.0338 | |
| 9 | T | A | -0.6968 | |
| 10 | S | A | -1.3816 | |
| 11 | R | A | -2.2029 | |
| 12 | Q | A | -1.4106 | |
| 13 | L | A | 0.4548 | |
| 14 | A | A | 0.4021 | |
| 15 | P | A | 0.3622 | |
| 16 | A | A | 0.9244 | |
| 17 | L | A | 1.8472 | |
| 18 | G | A | 1.2654 | |
| 19 | Y | A | 2.0878 | |
| 20 | L | A | 1.7164 | |
| 21 | G | A | -0.1620 | |
| 22 | S | A | -1.1107 | |
| 23 | R | A | -2.5035 | |
| 24 | Q | A | -2.6307 | |
| 25 | P | A | -1.8621 | |
| 26 | A | A | -1.3278 | |
| 27 | R | A | -1.3879 | |
| 28 | A | A | 0.3008 | |
| 29 | L | A | 1.4106 | |
| 30 | L | A | 1.1265 | |
| 31 | P | A | -0.4186 | |
| 32 | R | A | -2.0941 | |
| 33 | R | A | -2.9113 | |
| 34 | M | A | -1.8678 | |
| 35 | G | A | -1.2936 | |
| 36 | H | A | -0.8063 | |
| 37 | R | A | 0.0000 | |
| 38 | T | A | -0.0831 | |
| 39 | L | A | 0.2191 | |
| 40 | A | A | 0.0396 | |
| 41 | S | A | -0.1511 | |
| 42 | T | A | -0.0673 | |
| 43 | P | A | -0.3060 | |
| 44 | A | A | -0.3401 | |
| 45 | L | A | -0.5894 | |
| 46 | W | A | 0.0000 | |
| 47 | A | A | -0.6134 | |
| 48 | S | A | -0.7494 | |
| 49 | I | A | 0.0000 | |
| 50 | P | A | -1.2330 | |
| 51 | C | A | 0.0000 | |
| 52 | P | A | -2.2901 | |
| 53 | R | A | -2.3439 | |
| 54 | S | A | -1.4018 | |
| 55 | E | A | -1.0706 | |
| 56 | L | A | 0.0000 | |
| 57 | R | A | -1.2665 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -0.8522 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | P | A | -0.5402 | |
| 64 | S | A | -0.0895 | |
| 65 | G | A | -0.0015 | |
| 66 | Q | A | 0.0000 | |
| 67 | S | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | R | A | -0.6406 | |
| 70 | W | A | 0.0000 | |
| 71 | R | A | -1.9169 | |
| 72 | E | A | -2.3010 | |
| 73 | Q | A | -1.4829 | |
| 74 | S | A | -1.0085 | |
| 75 | P | A | -0.7316 | |
| 76 | A | A | -0.7507 | |
| 77 | H | A | -0.9503 | |
| 78 | W | A | 0.0000 | |
| 79 | S | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | A | A | -1.1074 | |
| 84 | D | A | -2.0709 | |
| 85 | Q | A | -1.1940 | |
| 86 | V | A | 0.0000 | |
| 87 | W | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | Q | A | -1.3388 | |
| 92 | T | A | -1.9160 | |
| 93 | E | A | -3.2662 | |
| 94 | E | A | -3.3999 | |
| 95 | Q | A | -2.3559 | |
| 96 | L | A | 0.0000 | |
| 97 | H | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | -1.5292 | |
| 103 | G | A | -1.8866 | |
| 104 | D | A | -2.9148 | |
| 105 | K | A | -2.9522 | |
| 106 | S | A | -2.1532 | |
| 107 | Q | A | -2.0020 | |
| 108 | A | A | -1.4422 | |
| 109 | S | A | -1.2770 | |
| 110 | R | A | -1.8658 | |
| 111 | P | A | 0.0000 | |
| 112 | T | A | -1.4239 | |
| 113 | P | A | -1.7053 | |
| 114 | D | A | -2.5836 | |
| 115 | E | A | -1.8918 | |
| 116 | L | A | -1.9660 | |
| 117 | E | A | -2.9107 | |
| 118 | A | A | -2.0450 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -2.9501 | |
| 121 | K | A | -2.9708 | |
| 122 | Y | A | -1.7223 | |
| 123 | F | A | 0.0000 | |
| 124 | Q | A | -1.6691 | |
| 125 | L | A | -1.5701 | |
| 126 | D | A | -2.0729 | |
| 127 | V | A | -0.8675 | |
| 128 | T | A | -0.7235 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -0.9761 | |
| 131 | Q | A | -1.5763 | |
| 132 | L | A | -0.8106 | |
| 133 | Y | A | 0.0000 | |
| 134 | H | A | -1.6162 | |
| 135 | H | A | -1.1143 | |
| 136 | W | A | 0.0000 | |
| 137 | G | A | -1.1834 | |
| 138 | S | A | -0.2562 | |
| 139 | V | A | 0.7329 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.7622 | |
| 142 | H | A | -0.9845 | |
| 143 | F | A | 0.0000 | |
| 144 | Q | A | -2.2428 | |
| 145 | E | A | -2.8234 | |
| 146 | V | A | -1.8786 | |
| 147 | A | A | 0.0000 | |
| 148 | Q | A | -2.7917 | |
| 149 | K | A | -2.7577 | |
| 150 | F | A | 0.0000 | |
| 151 | Q | A | -1.6235 | |
| 152 | G | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.7986 | |
| 158 | Q | A | 0.0000 | |
| 159 | D | A | -1.8944 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | E | A | -0.7216 | |
| 163 | C | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | F | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | S | A | -0.7900 | |
| 171 | S | A | -0.8034 | |
| 172 | N | A | -1.2134 | |
| 173 | N | A | -1.5445 | |
| 174 | N | A | -1.6928 | |
| 175 | I | A | -0.4417 | |
| 176 | A | A | -0.8887 | |
| 177 | R | A | -2.1663 | |
| 178 | I | A | 0.0000 | |
| 179 | T | A | -1.0674 | |
| 180 | G | A | -1.1290 | |
| 181 | M | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | -1.7477 | |
| 184 | R | A | -1.5897 | |
| 185 | L | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | Q | A | -1.9901 | |
| 188 | A | A | -1.0173 | |
| 189 | F | A | -0.5706 | |
| 190 | G | A | -0.8971 | |
| 191 | P | A | -1.4296 | |
| 192 | R | A | -2.3912 | |
| 193 | L | A | -1.4050 | |
| 194 | I | A | 0.0000 | |
| 195 | Q | A | -2.0597 | |
| 196 | L | A | 0.0000 | |
| 197 | D | A | -2.0205 | |
| 198 | D | A | -2.2926 | |
| 199 | V | A | -1.0988 | |
| 200 | T | A | -1.3927 | |
| 201 | Y | A | 0.0000 | |
| 202 | H | A | -1.7483 | |
| 203 | G | A | 0.0000 | |
| 204 | F | A | -0.8455 | |
| 205 | P | A | 0.0000 | |
| 206 | S | A | -0.3525 | |
| 207 | L | A | 0.0000 | |
| 208 | Q | A | -1.3176 | |
| 209 | A | A | -0.5735 | |
| 210 | L | A | 0.0000 | |
| 211 | A | A | -1.2925 | |
| 212 | G | A | -1.1122 | |
| 213 | P | A | -1.4045 | |
| 214 | E | A | -2.2076 | |
| 215 | V | A | 0.0000 | |
| 216 | E | A | -2.2288 | |
| 217 | A | A | -2.3558 | |
| 218 | H | A | -2.2494 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -3.1010 | |
| 221 | K | A | -2.8570 | |
| 222 | L | A | -1.7492 | |
| 223 | G | A | -1.7974 | |
| 224 | L | A | 0.0000 | |
| 225 | G | A | -0.8996 | |
| 226 | Y | A | 0.2990 | |
| 227 | R | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | R | A | -1.6702 | |
| 230 | Y | A | -0.3438 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | A | A | -0.7566 | |
| 234 | S | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -1.9157 | |
| 237 | A | A | -1.4933 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | -1.4503 | |
| 240 | E | A | -2.9561 | |
| 241 | E | A | -3.0235 | |
| 242 | Q | A | -1.5064 | |
| 243 | G | A | -1.1355 | |
| 244 | G | A | -0.6877 | |
| 245 | L | A | 0.5797 | |
| 246 | A | A | -0.1451 | |
| 247 | W | A | -0.3769 | |
| 248 | L | A | 0.0000 | |
| 249 | Q | A | -1.7167 | |
| 250 | Q | A | -2.0891 | |
| 251 | L | A | 0.0000 | |
| 252 | R | A | -2.0648 | |
| 253 | E | A | -2.8383 | |
| 254 | S | A | -2.3151 | |
| 255 | S | A | -2.0884 | |
| 256 | Y | A | 0.0000 | |
| 257 | E | A | -3.2575 | |
| 258 | E | A | -3.5704 | |
| 259 | A | A | 0.0000 | |
| 260 | H | A | -2.0086 | |
| 261 | K | A | -2.4948 | |
| 262 | A | A | -1.0680 | |
| 263 | L | A | 0.0000 | |
| 264 | C | A | 0.3083 | |
| 265 | I | A | 1.4279 | |
| 266 | L | A | 0.0000 | |
| 267 | P | A | 0.0710 | |
| 268 | G | A | 0.0826 | |
| 269 | V | A | 0.0000 | |
| 270 | G | A | -0.5063 | |
| 271 | T | A | -1.0734 | |
| 272 | K | A | -1.0648 | |
| 273 | V | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | D | A | -1.4311 | |
| 284 | K | A | 0.0000 | |
| 285 | P | A | -0.4254 | |
| 286 | Q | A | -0.7229 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | D | A | -0.5888 | |
| 292 | V | A | -0.0612 | |
| 293 | H | A | -0.5675 | |
| 294 | M | A | 0.0000 | |
| 295 | W | A | 0.0000 | |
| 296 | H | A | -1.8789 | |
| 297 | I | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | Q | A | -2.3016 | |
| 300 | R | A | -2.7029 | |
| 301 | D | A | -1.7141 | |
| 302 | Y | A | -1.0336 | |
| 303 | S | A | -1.3144 | |
| 304 | W | A | -1.0357 | |
| 305 | H | A | -1.3589 | |
| 306 | P | A | 0.0000 | |
| 307 | T | A | -0.7643 | |
| 308 | T | A | -0.6943 | |
| 309 | S | A | -1.4016 | |
| 310 | Q | A | -1.8138 | |
| 311 | A | A | -1.7484 | |
| 312 | K | A | -2.2799 | |
| 313 | G | A | -1.3879 | |
| 314 | P | A | -0.7096 | |
| 315 | S | A | -1.0005 | |
| 316 | P | A | -1.5409 | |
| 317 | Q | A | -2.2320 | |
| 318 | T | A | 0.0000 | |
| 319 | N | A | -1.9018 | |
| 320 | K | A | -2.7731 | |
| 321 | E | A | -1.9845 | |
| 322 | L | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | N | A | -1.8467 | |
| 325 | F | A | -0.6510 | |
| 326 | F | A | 0.0000 | |
| 327 | R | A | -0.8790 | |
| 328 | S | A | -0.5760 | |
| 329 | L | A | 0.1952 | |
| 330 | W | A | 0.0000 | |
| 331 | G | A | -0.3472 | |
| 332 | P | A | -0.3651 | |
| 333 | Y | A | 0.0209 | |
| 334 | A | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | W | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | 0.1091 | |
| 343 | S | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | D | A | -1.0417 | |
| 346 | L | A | -1.1851 | |
| 347 | R | A | -2.1538 | |
| 348 | Q | A | -2.6597 | |
| 349 | S | A | -2.5552 | |
| 350 | R | A | -3.7811 | |
| 351 | H | A | -3.2909 | |
| 352 | A | A | -2.4447 | |
| 353 | Q | A | -3.0626 | |
| 354 | E | A | -2.9598 | |
| 355 | P | A | -1.1269 | |
| 356 | Y | A | 0.4373 | |
| 357 | P | A | 0.4811 | |
| 358 | Y | A | 1.1726 | |
| 359 | D | A | -0.3535 | |
| 360 | V | A | 0.9545 | |
| 361 | P | A | -0.3709 | |
| 362 | D | A | -1.1508 | |
| 363 | Y | A | 0.3416 | |
| 364 | A | A | -0.0904 | |
| 365 | H | A | -0.7268 | |
| 366 | G | A | -0.0913 | |
| 367 | L | A | 1.3367 | |
| 368 | A | A | 0.6126 | |
| 369 | S | A | 0.2846 | |
| 370 | T | A | 0.5983 | |
| 371 | L | A | 1.4441 | |
| 372 | T | A | 0.0668 | |
| 373 | R | A | -0.8908 | |
| 374 | W | A | 0.8837 | |
| 375 | A | A | 0.3346 | |
| 376 | H | A | -0.2779 | |
| 377 | Y | A | 0.7044 | |
| 378 | N | A | 0.0319 | |
| 379 | A | A | 0.1569 | |
| 380 | L | A | 0.6234 | |
| 381 | I | A | 0.3419 | |
| 382 | R | A | -0.8502 | |
| 383 | A | A | 0.3631 | |
| 384 | F | A | 1.4162 |
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