| Chain sequence(s) |
A: EIVMANVSGIPAPRLLSTTNQMTNAAAGNTNRATGSMNGRNLTQIKTPQSMIDNASEELTTSLESKSSDDFAIKDRKRQGKGSDSLLKMVQEYTELTNDDTRNAKRAMLSQVLRASQSSQDVLEKTLEQFSNKTDAWASLAEIAQEYGAESPQPTGLKSVLDAMETLENEFGDEIKAGLKGALNSKEFTDIGSAAQLRDLYTTTVTITAAPDAVLARLLEEYESDDDLDRAIDFLLSTLGGELESADPSMDKVHLQSVMGDIEKTQQLHSSHKQCTTALSRWKEKHKGGGENSTLTPLEMMRELIALKNENFISPSSIDKIVDQADPQDIEKEVLFLQEMLAAVRKFPIMVFDNVENRVRVMGAVQDAVDDAVRREDEFLFQKEHPDVPLQPDENNIQ
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 (00:05:32)
[INFO] Main: Simulation completed successfully. (00:05:34)
|
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 | E | A | -0.4617 | |
| 2 | I | A | 2.3173 | |
| 3 | V | A | 2.8793 | |
| 4 | M | A | 2.1666 | |
| 5 | A | A | 0.7606 | |
| 6 | N | A | 0.0770 | |
| 7 | V | A | 0.9175 | |
| 8 | S | A | 0.5285 | |
| 9 | G | A | 0.6787 | |
| 10 | I | A | 1.6311 | |
| 11 | P | A | 0.6416 | |
| 12 | A | A | -0.1018 | |
| 13 | P | A | -0.8591 | |
| 14 | R | A | -0.8755 | |
| 15 | L | A | 1.4200 | |
| 16 | L | A | 1.8856 | |
| 17 | S | A | 0.8042 | |
| 18 | T | A | -0.1965 | |
| 19 | T | A | -1.0420 | |
| 20 | N | A | -1.6723 | |
| 21 | Q | A | -1.3436 | |
| 22 | M | A | -0.1578 | |
| 23 | T | A | -0.5678 | |
| 24 | N | A | -1.0081 | |
| 25 | A | A | -0.4743 | |
| 26 | A | A | -0.4611 | |
| 27 | A | A | -0.6126 | |
| 28 | G | A | -1.2135 | |
| 29 | N | A | -2.0965 | |
| 30 | T | A | -1.9073 | |
| 31 | N | A | -2.7122 | |
| 32 | R | A | -2.7727 | |
| 33 | A | A | -1.2815 | |
| 34 | T | A | -1.2857 | |
| 35 | G | A | -1.0833 | |
| 36 | S | A | -1.3367 | |
| 37 | M | A | -0.9382 | |
| 38 | N | A | -1.9383 | |
| 39 | G | A | -2.0402 | |
| 40 | R | A | -2.8158 | |
| 41 | N | A | -2.3278 | |
| 42 | L | A | -0.6543 | |
| 43 | T | A | -0.9377 | |
| 44 | Q | A | -1.3033 | |
| 45 | I | A | 0.3355 | |
| 46 | K | A | -1.4486 | |
| 47 | T | A | -0.9183 | |
| 48 | P | A | -0.5793 | |
| 49 | Q | A | -1.4066 | |
| 50 | S | A | -1.0313 | |
| 51 | M | A | -0.0806 | |
| 52 | I | A | -0.3829 | |
| 53 | D | A | -2.0982 | |
| 54 | N | A | -1.9554 | |
| 55 | A | A | -1.3474 | |
| 56 | S | A | -1.8994 | |
| 57 | E | A | -2.8102 | |
| 58 | E | A | -2.0672 | |
| 59 | L | A | -0.0669 | |
| 60 | T | A | -0.7663 | |
| 61 | T | A | -1.1502 | |
| 62 | S | A | -0.7625 | |
| 63 | L | A | -0.3026 | |
| 64 | E | A | -1.8921 | |
| 65 | S | A | -1.7393 | |
| 66 | K | A | -2.6887 | |
| 67 | S | A | -2.1843 | |
| 68 | S | A | -2.1875 | |
| 69 | D | A | -2.2968 | |
| 70 | D | A | -1.3843 | |
| 71 | F | A | 0.8022 | |
| 72 | A | A | -0.0278 | |
| 73 | I | A | -0.2013 | |
| 74 | K | A | -2.7167 | |
| 75 | D | A | -4.1735 | |
| 76 | R | A | -4.2442 | |
| 77 | K | A | -4.7789 | |
| 78 | R | A | -4.9928 | |
| 79 | Q | A | -4.5461 | |
| 80 | G | A | -3.9187 | |
| 81 | K | A | -3.8907 | |
| 82 | G | A | -2.6105 | |
| 83 | S | A | -1.9412 | |
| 84 | D | A | -1.4444 | |
| 85 | S | A | -1.3898 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | -0.9296 | |
| 88 | K | A | -1.5514 | |
| 89 | M | A | -1.0642 | |
| 90 | V | A | 0.0000 | |
| 91 | Q | A | -2.2770 | |
| 92 | E | A | -2.0178 | |
| 93 | Y | A | 0.0000 | |
| 94 | T | A | -2.0815 | |
| 95 | E | A | -2.6942 | |
| 96 | L | A | -1.6349 | |
| 97 | T | A | -1.5785 | |
| 98 | N | A | -2.5878 | |
| 99 | D | A | -2.5536 | |
| 100 | D | A | -2.7374 | |
| 101 | T | A | -1.6679 | |
| 102 | R | A | 0.0000 | |
| 103 | N | A | -1.6198 | |
| 104 | A | A | -0.9336 | |
| 105 | K | A | -1.0581 | |
| 106 | R | A | -0.8151 | |
| 107 | A | A | -0.1439 | |
| 108 | M | A | 0.4091 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | Q | A | -0.7688 | |
| 112 | V | A | 0.0333 | |
| 113 | L | A | 0.0000 | |
| 114 | R | A | -1.0728 | |
| 115 | A | A | -0.6565 | |
| 116 | S | A | 0.0000 | |
| 117 | Q | A | -1.9053 | |
| 118 | S | A | -1.6462 | |
| 119 | S | A | -1.9829 | |
| 120 | Q | A | -2.3377 | |
| 121 | D | A | -2.1934 | |
| 122 | V | A | 0.0000 | |
| 123 | L | A | -1.7467 | |
| 124 | E | A | -2.8610 | |
| 125 | K | A | -2.1060 | |
| 126 | T | A | 0.0000 | |
| 127 | L | A | -1.3228 | |
| 128 | E | A | -2.3599 | |
| 129 | Q | A | -1.5159 | |
| 130 | F | A | 0.0000 | |
| 131 | S | A | -0.7199 | |
| 132 | N | A | -0.6260 | |
| 133 | K | A | -0.8649 | |
| 134 | T | A | 0.0000 | |
| 135 | D | A | -0.3882 | |
| 136 | A | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | S | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | E | A | -1.0808 | |
| 143 | I | A | 0.0000 | |
| 144 | A | A | -0.8842 | |
| 145 | Q | A | -1.7545 | |
| 146 | E | A | -1.8257 | |
| 147 | Y | A | 0.0000 | |
| 148 | G | A | -1.5722 | |
| 149 | A | A | -1.7010 | |
| 150 | E | A | -2.4636 | |
| 151 | S | A | -1.6254 | |
| 152 | P | A | -1.5379 | |
| 153 | Q | A | -2.0688 | |
| 154 | P | A | -1.5650 | |
| 155 | T | A | -1.0746 | |
| 156 | G | A | -1.2124 | |
| 157 | L | A | -1.4115 | |
| 158 | K | A | -1.9943 | |
| 159 | S | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | L | A | -0.8197 | |
| 162 | D | A | -1.7749 | |
| 163 | A | A | 0.0000 | |
| 164 | M | A | 0.0000 | |
| 165 | E | A | -2.6547 | |
| 166 | T | A | -2.1375 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | -2.5356 | |
| 169 | N | A | -2.8950 | |
| 170 | E | A | -2.9334 | |
| 171 | F | A | -1.8847 | |
| 172 | G | A | -2.0028 | |
| 173 | D | A | -2.2147 | |
| 174 | E | A | -1.6119 | |
| 175 | I | A | 0.0000 | |
| 176 | K | A | -1.2758 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | -0.4492 | |
| 181 | G | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | -0.7971 | |
| 184 | N | A | -1.4323 | |
| 185 | S | A | 0.0000 | |
| 186 | K | A | -2.8284 | |
| 187 | E | A | -2.9929 | |
| 188 | F | A | 0.0000 | |
| 189 | T | A | -1.9436 | |
| 190 | D | A | -2.4168 | |
| 191 | I | A | -1.5615 | |
| 192 | G | A | -0.9909 | |
| 193 | S | A | -1.0983 | |
| 194 | A | A | -0.9471 | |
| 195 | A | A | -0.8682 | |
| 196 | Q | A | -1.4755 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | 0.0000 | |
| 199 | D | A | -1.1959 | |
| 200 | L | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | T | A | 0.3236 | |
| 204 | T | A | 0.4452 | |
| 205 | V | A | 0.0000 | |
| 206 | T | A | 0.6185 | |
| 207 | I | A | 1.9896 | |
| 208 | T | A | 0.7724 | |
| 209 | A | A | 0.3315 | |
| 210 | A | A | -0.2925 | |
| 211 | P | A | -1.2532 | |
| 212 | D | A | -1.6503 | |
| 213 | A | A | -0.5683 | |
| 214 | V | A | -0.3388 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | -1.0154 | |
| 217 | R | A | -1.6187 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | -1.7534 | |
| 220 | E | A | -2.7979 | |
| 221 | E | A | -2.5503 | |
| 222 | Y | A | -2.6696 | |
| 223 | E | A | -3.1132 | |
| 224 | S | A | -2.8053 | |
| 225 | D | A | -3.6040 | |
| 226 | D | A | -3.5563 | |
| 227 | D | A | -3.2385 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.5706 | |
| 230 | R | A | -2.3325 | |
| 231 | A | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | D | A | -1.6707 | |
| 234 | F | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | -0.5301 | |
| 237 | S | A | -0.4990 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | G | A | -0.7613 | |
| 241 | G | A | -1.1104 | |
| 242 | E | A | 0.0000 | |
| 243 | L | A | -1.4054 | |
| 244 | E | A | -2.1817 | |
| 245 | S | A | -1.5713 | |
| 246 | A | A | -1.1730 | |
| 247 | D | A | -2.3719 | |
| 248 | P | A | -1.8834 | |
| 249 | S | A | 0.0000 | |
| 250 | M | A | -1.4618 | |
| 251 | D | A | -2.1288 | |
| 252 | K | A | -1.5739 | |
| 253 | V | A | 0.3017 | |
| 254 | H | A | -0.6559 | |
| 255 | L | A | 0.0000 | |
| 256 | Q | A | -1.3250 | |
| 257 | S | A | -0.9141 | |
| 258 | V | A | 0.0000 | |
| 259 | M | A | -0.9452 | |
| 260 | G | A | -1.5718 | |
| 261 | D | A | -1.9803 | |
| 262 | I | A | 0.0000 | |
| 263 | E | A | -1.9604 | |
| 264 | K | A | -1.6784 | |
| 265 | T | A | 0.0000 | |
| 266 | Q | A | -1.4607 | |
| 267 | Q | A | -0.7711 | |
| 268 | L | A | 0.0000 | |
| 269 | H | A | 0.0000 | |
| 270 | S | A | -1.1054 | |
| 271 | S | A | 0.0000 | |
| 272 | H | A | -1.0860 | |
| 273 | K | A | -1.2120 | |
| 274 | Q | A | -1.1895 | |
| 275 | C | A | 0.0000 | |
| 276 | T | A | -0.6304 | |
| 277 | T | A | -0.8697 | |
| 278 | A | A | 0.0000 | |
| 279 | L | A | -1.4939 | |
| 280 | S | A | -2.4834 | |
| 281 | R | A | -3.6206 | |
| 282 | W | A | 0.0000 | |
| 283 | K | A | -4.0030 | |
| 284 | E | A | -4.4795 | |
| 285 | K | A | -4.0630 | |
| 286 | H | A | -3.1420 | |
| 287 | K | A | -3.7615 | |
| 288 | G | A | 0.0000 | |
| 289 | G | A | -2.2080 | |
| 290 | G | A | -2.4919 | |
| 291 | E | A | -2.7770 | |
| 292 | N | A | -2.5937 | |
| 293 | S | A | -1.9413 | |
| 294 | T | A | -1.1612 | |
| 295 | L | A | -0.6353 | |
| 296 | T | A | -0.4112 | |
| 297 | P | A | -0.5907 | |
| 298 | L | A | -0.8372 | |
| 299 | E | A | -1.4126 | |
| 300 | M | A | 0.0000 | |
| 301 | M | A | 0.0000 | |
| 302 | R | A | -2.3086 | |
| 303 | E | A | -1.5031 | |
| 304 | L | A | 0.0000 | |
| 305 | I | A | -1.1105 | |
| 306 | A | A | -1.0754 | |
| 307 | L | A | 0.0000 | |
| 308 | K | A | -1.6226 | |
| 309 | N | A | -1.7329 | |
| 310 | E | A | -1.3661 | |
| 311 | N | A | -1.0675 | |
| 312 | F | A | 0.7908 | |
| 313 | I | A | 0.0000 | |
| 314 | S | A | -0.1983 | |
| 315 | P | A | -1.2507 | |
| 316 | S | A | -1.6570 | |
| 317 | S | A | -1.1393 | |
| 318 | I | A | 0.0000 | |
| 319 | D | A | -3.1956 | |
| 320 | K | A | -3.1834 | |
| 321 | I | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | D | A | -3.2323 | |
| 324 | Q | A | -2.1730 | |
| 325 | A | A | 0.0000 | |
| 326 | D | A | -2.2372 | |
| 327 | P | A | -2.1590 | |
| 328 | Q | A | -2.3185 | |
| 329 | D | A | -1.7103 | |
| 330 | I | A | -0.9234 | |
| 331 | E | A | -1.6991 | |
| 332 | K | A | 0.0000 | |
| 333 | E | A | -1.0753 | |
| 334 | V | A | 0.0000 | |
| 335 | L | A | -0.8308 | |
| 336 | F | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | -0.9281 | |
| 339 | E | A | -1.0554 | |
| 340 | M | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | A | A | -1.2045 | |
| 343 | A | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | R | A | -2.0205 | |
| 346 | K | A | -2.3062 | |
| 347 | F | A | 0.0000 | |
| 348 | P | A | -0.3311 | |
| 349 | I | A | 0.7089 | |
| 350 | M | A | 0.1868 | |
| 351 | V | A | 0.0000 | |
| 352 | F | A | 0.0000 | |
| 353 | D | A | -1.5975 | |
| 354 | N | A | -0.6181 | |
| 355 | V | A | 0.8281 | |
| 356 | E | A | -1.0258 | |
| 357 | N | A | -1.2179 | |
| 358 | R | A | -0.1159 | |
| 359 | V | A | 0.9336 | |
| 360 | R | A | -0.1962 | |
| 361 | V | A | 0.0000 | |
| 362 | M | A | -0.4913 | |
| 363 | G | A | -0.5099 | |
| 364 | A | A | -0.6831 | |
| 365 | V | A | 0.0000 | |
| 366 | Q | A | -1.9806 | |
| 367 | D | A | -2.7852 | |
| 368 | A | A | -2.3725 | |
| 369 | V | A | 0.0000 | |
| 370 | D | A | -3.2774 | |
| 371 | D | A | -3.1638 | |
| 372 | A | A | 0.0000 | |
| 373 | V | A | -1.9605 | |
| 374 | R | A | -3.1623 | |
| 375 | R | A | -2.2528 | |
| 376 | E | A | -1.9645 | |
| 377 | D | A | -2.5083 | |
| 378 | E | A | -1.4208 | |
| 379 | F | A | -0.2609 | |
| 380 | L | A | -0.9046 | |
| 381 | F | A | -0.7791 | |
| 382 | Q | A | -1.5158 | |
| 383 | K | A | -2.5803 | |
| 384 | E | A | -2.6100 | |
| 385 | H | A | -1.9681 | |
| 386 | P | A | -2.0109 | |
| 387 | D | A | -2.0260 | |
| 388 | V | A | -0.5180 | |
| 389 | P | A | -0.2970 | |
| 390 | L | A | -0.1952 | |
| 391 | Q | A | -1.4602 | |
| 392 | P | A | -1.8801 | |
| 393 | D | A | -2.8324 | |
| 394 | E | A | -3.2444 | |
| 395 | N | A | -2.7970 | |
| 396 | N | A | -2.1940 | |
| 397 | I | A | -0.2788 | |
| 398 | Q | A | -1.0469 |
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