| Chain sequence(s) |
A: MALLDLALEGMAVFGFVLFLVLWLMHFMAIIYTRLHLNKKATDKQPYSKLPGVSLLKPLKGVDPNLINNLETFFELDYPKYEVLLCVQDHDDPAIDVCKKLLGKYPNVDARLFIGGKKVGINPKINNLMPGYEVAKYDLIWICDSGIRVIPDTLTDMVNQMTEKVGLVHGLPYVADRQGFAATLEQVYFGTSHPRYYISANVTGFKCVTGMSCLMRKDVLDQAGGLIAFAQYIAEDYFMAKAIADRGWRFAMSTQVAMQNSGSYSISQFQSRMIRWTKLRINMLPATIICEPISECFVASLIIGWAAHHVFRWDIMVFFMCHCLAWFIFDYIQLRGVQGGTLCFSKLDYAVAWFIRESMTIYIFLSALWDPTISWRTGRYRLRCGGTAEEILDV
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 (00:05:15)
[INFO] Main: Simulation completed successfully. (00:05:18)
|
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 | 1.8437 | |
| 2 | A | A | 1.7256 | |
| 3 | L | A | 2.5882 | |
| 4 | L | A | 2.2515 | |
| 5 | D | A | 0.4282 | |
| 6 | L | A | 1.5052 | |
| 7 | A | A | 1.1100 | |
| 8 | L | A | 0.7146 | |
| 9 | E | A | -0.3024 | |
| 10 | G | A | 0.3890 | |
| 11 | M | A | 1.1190 | |
| 12 | A | A | 0.0000 | |
| 13 | V | A | 2.6032 | |
| 14 | F | A | 2.5913 | |
| 15 | G | A | 0.0000 | |
| 16 | F | A | 2.8966 | |
| 17 | V | A | 3.4702 | |
| 18 | L | A | 0.0000 | |
| 19 | F | A | 2.8580 | |
| 20 | L | A | 3.4022 | |
| 21 | V | A | 2.8736 | |
| 22 | L | A | 0.0000 | |
| 23 | W | A | 0.0000 | |
| 24 | L | A | 2.7150 | |
| 25 | M | A | 2.1504 | |
| 26 | H | A | 0.0000 | |
| 27 | F | A | 2.6577 | |
| 28 | M | A | 2.1995 | |
| 29 | A | A | 0.0000 | |
| 30 | I | A | 1.7724 | |
| 31 | I | A | 2.4738 | |
| 32 | Y | A | 1.5339 | |
| 33 | T | A | 0.0000 | |
| 34 | R | A | -0.5798 | |
| 35 | L | A | 0.8903 | |
| 36 | H | A | -0.4478 | |
| 37 | L | A | 0.0000 | |
| 38 | N | A | -1.9593 | |
| 39 | K | A | -2.6817 | |
| 40 | K | A | -2.8712 | |
| 41 | A | A | -2.1669 | |
| 42 | T | A | -2.3161 | |
| 43 | D | A | -3.0634 | |
| 44 | K | A | -2.9372 | |
| 45 | Q | A | -2.5057 | |
| 46 | P | A | -1.3338 | |
| 47 | Y | A | -0.5027 | |
| 48 | S | A | -0.8609 | |
| 49 | K | A | -1.8116 | |
| 50 | L | A | -1.0958 | |
| 51 | P | A | -0.8705 | |
| 52 | G | A | -1.3144 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | -1.5472 | |
| 61 | G | A | -0.7191 | |
| 62 | V | A | 0.7062 | |
| 63 | D | A | -0.2465 | |
| 64 | P | A | -0.4135 | |
| 65 | N | A | -0.8253 | |
| 66 | L | A | 0.0000 | |
| 67 | I | A | -0.4626 | |
| 68 | N | A | -1.4780 | |
| 69 | N | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | E | A | -1.4662 | |
| 72 | T | A | -1.0622 | |
| 73 | F | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | E | A | -2.2120 | |
| 76 | L | A | 0.0000 | |
| 77 | D | A | -2.4193 | |
| 78 | Y | A | 0.0000 | |
| 79 | P | A | -1.0209 | |
| 80 | K | A | -1.5630 | |
| 81 | Y | A | -1.0294 | |
| 82 | E | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | C | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | Q | A | -2.4573 | |
| 89 | D | A | -3.2961 | |
| 90 | H | A | -2.7861 | |
| 91 | D | A | -3.1760 | |
| 92 | D | A | -2.2922 | |
| 93 | P | A | -1.4198 | |
| 94 | A | A | 0.0000 | |
| 95 | I | A | -1.9607 | |
| 96 | D | A | -2.6911 | |
| 97 | V | A | -1.5291 | |
| 98 | C | A | 0.0000 | |
| 99 | K | A | -3.3146 | |
| 100 | K | A | -3.3582 | |
| 101 | L | A | 0.0000 | |
| 102 | L | A | -2.0780 | |
| 103 | G | A | -2.3558 | |
| 104 | K | A | -2.7127 | |
| 105 | Y | A | -1.8034 | |
| 106 | P | A | -1.3784 | |
| 107 | N | A | -1.6810 | |
| 108 | V | A | -1.3936 | |
| 109 | D | A | -1.2340 | |
| 110 | A | A | -0.6108 | |
| 111 | R | A | -0.5662 | |
| 112 | L | A | 0.1003 | |
| 113 | F | A | 0.3112 | |
| 114 | I | A | -0.5754 | |
| 115 | G | A | -1.8587 | |
| 116 | G | A | -1.7847 | |
| 117 | K | A | -2.1945 | |
| 118 | K | A | -2.1616 | |
| 119 | V | A | -0.5852 | |
| 120 | G | A | -0.6208 | |
| 121 | I | A | -0.9374 | |
| 122 | N | A | 0.0000 | |
| 123 | P | A | -1.0370 | |
| 124 | K | A | -0.6856 | |
| 125 | I | A | 0.0000 | |
| 126 | N | A | 0.0000 | |
| 127 | N | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | M | A | 0.0000 | |
| 130 | P | A | -0.7991 | |
| 131 | G | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | E | A | -1.7988 | |
| 134 | V | A | -0.7599 | |
| 135 | A | A | -1.3474 | |
| 136 | K | A | -2.0619 | |
| 137 | Y | A | -1.6714 | |
| 138 | D | A | -2.6452 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | W | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.0051 | |
| 145 | S | A | -0.6713 | |
| 146 | G | A | -0.8537 | |
| 147 | I | A | 0.0000 | |
| 148 | R | A | -1.2223 | |
| 149 | V | A | 0.0000 | |
| 150 | I | A | 0.1943 | |
| 151 | P | A | -0.9952 | |
| 152 | D | A | -1.3566 | |
| 153 | T | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | D | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | N | A | -1.0462 | |
| 160 | Q | A | -0.6396 | |
| 161 | M | A | -1.1030 | |
| 162 | T | A | -1.7662 | |
| 163 | E | A | -2.8474 | |
| 164 | K | A | -3.0436 | |
| 165 | V | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | H | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | D | A | -1.9877 | |
| 177 | R | A | -1.4939 | |
| 178 | Q | A | -1.4968 | |
| 179 | G | A | -0.6663 | |
| 180 | F | A | 0.3809 | |
| 181 | A | A | 0.1863 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | 0.0000 | |
| 186 | Q | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | Y | A | 0.1129 | |
| 189 | F | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | H | A | 0.0120 | |
| 194 | P | A | 0.0000 | |
| 195 | R | A | 0.0000 | |
| 196 | Y | A | 0.4039 | |
| 197 | Y | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | N | A | 0.3147 | |
| 202 | V | A | 1.0317 | |
| 203 | T | A | 0.6011 | |
| 204 | G | A | 0.1768 | |
| 205 | F | A | 1.2968 | |
| 206 | K | A | -0.8588 | |
| 207 | C | A | -0.0123 | |
| 208 | V | A | 0.0000 | |
| 209 | T | A | -0.1358 | |
| 210 | G | A | -0.3164 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | R | A | -1.6659 | |
| 217 | K | A | -2.5003 | |
| 218 | D | A | -3.4336 | |
| 219 | V | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | D | A | -3.1259 | |
| 222 | Q | A | -2.8254 | |
| 223 | A | A | -1.8221 | |
| 224 | G | A | -1.3323 | |
| 225 | G | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | I | A | 0.6779 | |
| 228 | A | A | 0.2228 | |
| 229 | F | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | Q | A | -0.7250 | |
| 232 | Y | A | -0.5345 | |
| 233 | I | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | E | A | 0.0000 | |
| 236 | D | A | -0.2499 | |
| 237 | Y | A | -0.2744 | |
| 238 | F | A | -0.2307 | |
| 239 | M | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | K | A | -1.9411 | |
| 242 | A | A | -1.5285 | |
| 243 | I | A | 0.0000 | |
| 244 | A | A | -2.0968 | |
| 245 | D | A | -2.9334 | |
| 246 | R | A | -2.3756 | |
| 247 | G | A | -2.0846 | |
| 248 | W | A | -2.2156 | |
| 249 | R | A | -2.9306 | |
| 250 | F | A | -0.9493 | |
| 251 | A | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | T | A | -0.9232 | |
| 255 | Q | A | -0.6864 | |
| 256 | V | A | 0.0514 | |
| 257 | A | A | 0.0000 | |
| 258 | M | A | -0.2419 | |
| 259 | Q | A | 0.0000 | |
| 260 | N | A | -1.1138 | |
| 261 | S | A | -0.5621 | |
| 262 | G | A | -0.6455 | |
| 263 | S | A | -0.4634 | |
| 264 | Y | A | -0.1218 | |
| 265 | S | A | 0.0160 | |
| 266 | I | A | 0.3197 | |
| 267 | S | A | -0.4880 | |
| 268 | Q | A | -1.0199 | |
| 269 | F | A | 0.0000 | |
| 270 | Q | A | -0.5090 | |
| 271 | S | A | -0.7629 | |
| 272 | R | A | -0.7556 | |
| 273 | M | A | 0.0000 | |
| 274 | I | A | -0.0703 | |
| 275 | R | A | -0.4512 | |
| 276 | W | A | -0.1312 | |
| 277 | T | A | 0.0000 | |
| 278 | K | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | R | A | 0.0109 | |
| 281 | I | A | 0.7480 | |
| 282 | N | A | -0.1046 | |
| 283 | M | A | 0.1223 | |
| 284 | L | A | 0.5216 | |
| 285 | P | A | 0.7123 | |
| 286 | A | A | 1.0325 | |
| 287 | T | A | 1.2575 | |
| 288 | I | A | 2.2085 | |
| 289 | I | A | 2.6816 | |
| 290 | C | A | 1.6682 | |
| 291 | E | A | 1.0030 | |
| 292 | P | A | 1.3255 | |
| 293 | I | A | 1.4998 | |
| 294 | S | A | 0.0000 | |
| 295 | E | A | 0.0000 | |
| 296 | C | A | 0.0000 | |
| 297 | F | A | 1.5212 | |
| 298 | V | A | 1.4972 | |
| 299 | A | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | L | A | 2.4208 | |
| 302 | I | A | 1.6739 | |
| 303 | I | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | W | A | 1.0290 | |
| 306 | A | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | H | A | 0.0611 | |
| 309 | H | A | 0.1412 | |
| 310 | V | A | 1.6331 | |
| 311 | F | A | 1.3445 | |
| 312 | R | A | -0.7285 | |
| 313 | W | A | 0.4265 | |
| 314 | D | A | -0.3830 | |
| 315 | I | A | 1.4123 | |
| 316 | M | A | 2.4079 | |
| 317 | V | A | 2.4711 | |
| 318 | F | A | 2.2748 | |
| 319 | F | A | 2.5740 | |
| 320 | M | A | 2.7895 | |
| 321 | C | A | 2.4396 | |
| 322 | H | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | L | A | 2.5540 | |
| 325 | A | A | 1.7432 | |
| 326 | W | A | 0.0000 | |
| 327 | F | A | 2.0467 | |
| 328 | I | A | 2.2423 | |
| 329 | F | A | 1.8473 | |
| 330 | D | A | 0.0000 | |
| 331 | Y | A | 0.7565 | |
| 332 | I | A | 0.7671 | |
| 333 | Q | A | 0.0000 | |
| 334 | L | A | 0.0000 | |
| 335 | R | A | -1.0044 | |
| 336 | G | A | -0.6216 | |
| 337 | V | A | 0.0000 | |
| 338 | Q | A | -1.0021 | |
| 339 | G | A | -1.4575 | |
| 340 | G | A | -0.7837 | |
| 341 | T | A | -0.4482 | |
| 342 | L | A | -0.4001 | |
| 343 | C | A | -0.1417 | |
| 344 | F | A | -0.1930 | |
| 345 | S | A | -0.4084 | |
| 346 | K | A | -0.9887 | |
| 347 | L | A | 0.6472 | |
| 348 | D | A | 0.2680 | |
| 349 | Y | A | 0.0000 | |
| 350 | A | A | 0.9870 | |
| 351 | V | A | 1.7261 | |
| 352 | A | A | 0.0000 | |
| 353 | W | A | 0.0000 | |
| 354 | F | A | 2.4818 | |
| 355 | I | A | 1.6859 | |
| 356 | R | A | 0.0000 | |
| 357 | E | A | 0.0000 | |
| 358 | S | A | 1.2043 | |
| 359 | M | A | 0.0000 | |
| 360 | T | A | 1.1500 | |
| 361 | I | A | 2.1613 | |
| 362 | Y | A | 1.7626 | |
| 363 | I | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | L | A | 1.9131 | |
| 366 | S | A | 1.1231 | |
| 367 | A | A | 0.0000 | |
| 368 | L | A | 1.6672 | |
| 369 | W | A | 1.2858 | |
| 370 | D | A | -0.2020 | |
| 371 | P | A | -0.5393 | |
| 372 | T | A | -1.1493 | |
| 373 | I | A | 0.0000 | |
| 374 | S | A | -1.2940 | |
| 375 | W | A | -1.2121 | |
| 376 | R | A | -2.1967 | |
| 377 | T | A | -1.1757 | |
| 378 | G | A | -1.4705 | |
| 379 | R | A | -2.0134 | |
| 380 | Y | A | 0.0000 | |
| 381 | R | A | -2.3377 | |
| 382 | L | A | 0.0000 | |
| 383 | R | A | -1.4760 | |
| 384 | C | A | -0.0271 | |
| 385 | G | A | -0.2529 | |
| 386 | G | A | 0.0000 | |
| 387 | T | A | -1.0202 | |
| 388 | A | A | 0.0000 | |
| 389 | E | A | -2.9724 | |
| 390 | E | A | -2.4791 | |
| 391 | I | A | -0.7528 | |
| 392 | L | A | 0.5991 | |
| 393 | D | A | -0.3979 | |
| 394 | V | A | 1.4342 |
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