| Chain sequence(s) |
A: MISTTVAAHPATVTALRRRYPLRPRQPLCAPIFTAATRQCMATAKPSVTNALANLSVESAPAALPKLSFPILVNSCTGKMGKAVAEAAVSAGLQLVPVSFSAIEVPDRKIEICDREIFIHDPSESEKILPTIVKEYPNVIVVDYTVPDAVNANAELYCKFGLPFVMGTTGGNRQLLHKTVHDANIYAVISPQMGKQVVAFLAAMEIMSEQFPGAFSGYKLEVMESHQATKLDISGTAKAVISCFQKLGVSFDMNEVKQVRDPEEQVTLVGVPEEHLGGHAFHMYHLTSPDGTVSFEFQHNVCGRSIYAEGTVDAAMFLYTKIQSGASKKLYDMIDVLREGNMR
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:55)
[INFO] Main: Simulation completed successfully. (00:03:57)
|
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 | 1.9668 | |
| 2 | I | A | 2.3778 | |
| 3 | S | A | 1.0607 | |
| 4 | T | A | 0.6886 | |
| 5 | T | A | 0.9308 | |
| 6 | V | A | 1.7623 | |
| 7 | A | A | 0.7283 | |
| 8 | A | A | -0.1388 | |
| 9 | H | A | -1.0566 | |
| 10 | P | A | -0.5184 | |
| 11 | A | A | 0.1011 | |
| 12 | T | A | 0.7392 | |
| 13 | V | A | 1.8746 | |
| 14 | T | A | 0.9829 | |
| 15 | A | A | 0.4977 | |
| 16 | L | A | 0.1383 | |
| 17 | R | A | -2.3319 | |
| 18 | R | A | -2.9092 | |
| 19 | R | A | -2.2840 | |
| 20 | Y | A | -0.2856 | |
| 21 | P | A | -0.1342 | |
| 22 | L | A | 0.3338 | |
| 23 | R | A | -1.7350 | |
| 24 | P | A | -2.0174 | |
| 25 | R | A | -2.6989 | |
| 26 | Q | A | -2.0579 | |
| 27 | P | A | -0.3729 | |
| 28 | L | A | 1.2482 | |
| 29 | C | A | 1.2691 | |
| 30 | A | A | 1.3076 | |
| 31 | P | A | 1.5674 | |
| 32 | I | A | 2.8373 | |
| 33 | F | A | 2.8482 | |
| 34 | T | A | 1.3917 | |
| 35 | A | A | 0.7327 | |
| 36 | A | A | -0.1610 | |
| 37 | T | A | -1.1273 | |
| 38 | R | A | -2.2984 | |
| 39 | Q | A | -1.5101 | |
| 40 | C | A | 0.2670 | |
| 41 | M | A | 1.1703 | |
| 42 | A | A | 0.4418 | |
| 43 | T | A | -0.0559 | |
| 44 | A | A | -0.8420 | |
| 45 | K | A | -1.8470 | |
| 46 | P | A | -0.7984 | |
| 47 | S | A | 0.0276 | |
| 48 | V | A | 1.2896 | |
| 49 | T | A | 0.2901 | |
| 50 | N | A | -0.4955 | |
| 51 | A | A | 0.2257 | |
| 52 | L | A | 1.2389 | |
| 53 | A | A | 0.3366 | |
| 54 | N | A | 0.0980 | |
| 55 | L | A | 1.2856 | |
| 56 | S | A | 0.4440 | |
| 57 | V | A | 0.9719 | |
| 58 | E | A | -0.8948 | |
| 59 | S | A | -0.7080 | |
| 60 | A | A | -0.3282 | |
| 61 | P | A | -0.2927 | |
| 62 | A | A | 0.2819 | |
| 63 | A | A | 0.2433 | |
| 64 | L | A | 0.4818 | |
| 65 | P | A | -0.4510 | |
| 66 | K | A | -1.5478 | |
| 67 | L | A | -0.5805 | |
| 68 | S | A | -0.5789 | |
| 69 | F | A | 0.0000 | |
| 70 | P | A | -0.7230 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | N | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | C | A | 0.0000 | |
| 77 | T | A | -0.6003 | |
| 78 | G | A | -0.6484 | |
| 79 | K | A | -2.0696 | |
| 80 | M | A | -1.2698 | |
| 81 | G | A | 0.0000 | |
| 82 | K | A | -1.9103 | |
| 83 | A | A | -1.5383 | |
| 84 | V | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | E | A | -1.4794 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.2999 | |
| 90 | S | A | -0.4675 | |
| 91 | A | A | 0.0000 | |
| 92 | G | A | -0.5335 | |
| 93 | L | A | 0.0000 | |
| 94 | Q | A | -0.6803 | |
| 95 | L | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | P | A | -0.6725 | |
| 98 | V | A | 0.3284 | |
| 99 | S | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | S | A | 0.0000 | |
| 102 | A | A | 0.3682 | |
| 103 | I | A | 0.9532 | |
| 104 | E | A | -1.3580 | |
| 105 | V | A | -0.9219 | |
| 106 | P | A | -1.6921 | |
| 107 | D | A | -2.3505 | |
| 108 | R | A | -1.7936 | |
| 109 | K | A | -2.0379 | |
| 110 | I | A | -1.9901 | |
| 111 | E | A | -3.1830 | |
| 112 | I | A | 0.0000 | |
| 113 | C | A | -1.7894 | |
| 114 | D | A | -2.9680 | |
| 115 | R | A | -3.1390 | |
| 116 | E | A | -3.2004 | |
| 117 | I | A | 0.0000 | |
| 118 | F | A | -0.1775 | |
| 119 | I | A | 0.0000 | |
| 120 | H | A | -0.5349 | |
| 121 | D | A | -1.2168 | |
| 122 | P | A | -1.0124 | |
| 123 | S | A | -1.3694 | |
| 124 | E | A | -1.8678 | |
| 125 | S | A | -1.7956 | |
| 126 | E | A | -2.7478 | |
| 127 | K | A | -2.5696 | |
| 128 | I | A | -1.0935 | |
| 129 | L | A | 0.0000 | |
| 130 | P | A | -1.0749 | |
| 131 | T | A | -1.2878 | |
| 132 | I | A | 0.0000 | |
| 133 | V | A | -0.8297 | |
| 134 | K | A | -2.3822 | |
| 135 | E | A | -2.5012 | |
| 136 | Y | A | -1.3377 | |
| 137 | P | A | -1.2243 | |
| 138 | N | A | -1.1370 | |
| 139 | V | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | 0.0000 | |
| 144 | Y | A | 0.1188 | |
| 145 | T | A | 0.3876 | |
| 146 | V | A | 0.6702 | |
| 147 | P | A | -0.8042 | |
| 148 | D | A | -1.7874 | |
| 149 | A | A | -0.6240 | |
| 150 | V | A | 0.0000 | |
| 151 | N | A | -1.5005 | |
| 152 | A | A | -0.9450 | |
| 153 | N | A | -1.2233 | |
| 154 | A | A | 0.0000 | |
| 155 | E | A | -1.9972 | |
| 156 | L | A | -1.5723 | |
| 157 | Y | A | 0.0000 | |
| 158 | C | A | -1.8366 | |
| 159 | K | A | -2.1840 | |
| 160 | F | A | -0.8962 | |
| 161 | G | A | -0.9570 | |
| 162 | L | A | 0.0000 | |
| 163 | P | A | -0.0762 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | G | A | 0.0068 | |
| 168 | T | A | 0.0000 | |
| 169 | T | A | -0.5095 | |
| 170 | G | A | -0.9377 | |
| 171 | G | A | -1.6086 | |
| 172 | N | A | -2.1894 | |
| 173 | R | A | -1.9479 | |
| 174 | Q | A | -2.1528 | |
| 175 | L | A | -1.6652 | |
| 176 | L | A | 0.0000 | |
| 177 | H | A | -2.2580 | |
| 178 | K | A | -3.0661 | |
| 179 | T | A | -2.6555 | |
| 180 | V | A | 0.0000 | |
| 181 | H | A | -3.0810 | |
| 182 | D | A | -3.2005 | |
| 183 | A | A | -2.5302 | |
| 184 | N | A | -2.6681 | |
| 185 | I | A | 0.0000 | |
| 186 | Y | A | -0.6609 | |
| 187 | A | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | P | A | -0.6852 | |
| 192 | Q | A | -0.7133 | |
| 193 | M | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | K | A | -0.5782 | |
| 196 | Q | A | -1.0466 | |
| 197 | V | A | 0.0000 | |
| 198 | V | A | -0.0095 | |
| 199 | A | A | -0.3251 | |
| 200 | F | A | 0.0077 | |
| 201 | L | A | 0.2103 | |
| 202 | A | A | 0.3070 | |
| 203 | A | A | 0.5483 | |
| 204 | M | A | 0.0000 | |
| 205 | E | A | -1.1862 | |
| 206 | I | A | 0.8141 | |
| 207 | M | A | 0.1369 | |
| 208 | S | A | 0.0000 | |
| 209 | E | A | -1.8955 | |
| 210 | Q | A | -0.9875 | |
| 211 | F | A | 0.7856 | |
| 212 | P | A | -0.8498 | |
| 213 | G | A | -0.8076 | |
| 214 | A | A | 0.1082 | |
| 215 | F | A | -0.3662 | |
| 216 | S | A | -1.0043 | |
| 217 | G | A | -1.1079 | |
| 218 | Y | A | -1.2201 | |
| 219 | K | A | -1.8959 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -2.4091 | |
| 222 | V | A | 0.0000 | |
| 223 | M | A | -1.0466 | |
| 224 | E | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | H | A | 0.0000 | |
| 227 | Q | A | -0.8843 | |
| 228 | A | A | -0.7820 | |
| 229 | T | A | -0.4607 | |
| 230 | K | A | -0.8071 | |
| 231 | L | A | 0.1481 | |
| 232 | D | A | -1.3352 | |
| 233 | I | A | -1.0435 | |
| 234 | S | A | 0.0000 | |
| 235 | G | A | -0.9589 | |
| 236 | T | A | -0.4060 | |
| 237 | A | A | 0.0000 | |
| 238 | K | A | -0.7105 | |
| 239 | A | A | -0.7006 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | S | A | -1.1990 | |
| 243 | C | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | Q | A | -2.0506 | |
| 246 | K | A | -2.7040 | |
| 247 | L | A | 0.0000 | |
| 248 | G | A | -1.1019 | |
| 249 | V | A | 0.0000 | |
| 250 | S | A | -1.3392 | |
| 251 | F | A | 0.0000 | |
| 252 | D | A | -2.5800 | |
| 253 | M | A | -1.9178 | |
| 254 | N | A | -2.7395 | |
| 255 | E | A | -3.4020 | |
| 256 | V | A | 0.0000 | |
| 257 | K | A | -2.0688 | |
| 258 | Q | A | -1.7188 | |
| 259 | V | A | 0.0000 | |
| 260 | R | A | -1.8166 | |
| 261 | D | A | -2.8572 | |
| 262 | P | A | -2.2932 | |
| 263 | E | A | -2.8049 | |
| 264 | E | A | -1.9812 | |
| 265 | Q | A | 0.0000 | |
| 266 | V | A | -0.9149 | |
| 267 | T | A | -0.3687 | |
| 268 | L | A | 0.6511 | |
| 269 | V | A | 0.1634 | |
| 270 | G | A | -0.5322 | |
| 271 | V | A | 0.0000 | |
| 272 | P | A | -1.4646 | |
| 273 | E | A | -2.9830 | |
| 274 | E | A | -2.8450 | |
| 275 | H | A | -1.8214 | |
| 276 | L | A | -1.6160 | |
| 277 | G | A | -1.1971 | |
| 278 | G | A | -1.1593 | |
| 279 | H | A | 0.0000 | |
| 280 | A | A | -0.4260 | |
| 281 | F | A | 0.0000 | |
| 282 | H | A | 0.0000 | |
| 283 | M | A | -1.1365 | |
| 284 | Y | A | 0.0000 | |
| 285 | H | A | -1.4023 | |
| 286 | L | A | 0.0000 | |
| 287 | T | A | -1.0510 | |
| 288 | S | A | 0.0000 | |
| 289 | P | A | -1.5352 | |
| 290 | D | A | -2.0507 | |
| 291 | G | A | -1.3876 | |
| 292 | T | A | -0.5622 | |
| 293 | V | A | 0.4041 | |
| 294 | S | A | -0.0450 | |
| 295 | F | A | 0.2032 | |
| 296 | E | A | -1.7095 | |
| 297 | F | A | -0.8722 | |
| 298 | Q | A | -1.7436 | |
| 299 | H | A | -1.2099 | |
| 300 | N | A | -1.3456 | |
| 301 | V | A | 0.0000 | |
| 302 | C | A | -0.5613 | |
| 303 | G | A | -0.8477 | |
| 304 | R | A | -1.1528 | |
| 305 | S | A | -0.6784 | |
| 306 | I | A | -0.3693 | |
| 307 | Y | A | -0.3663 | |
| 308 | A | A | 0.0000 | |
| 309 | E | A | -0.8946 | |
| 310 | G | A | 0.0000 | |
| 311 | T | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | D | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | -0.2743 | |
| 320 | T | A | -0.5007 | |
| 321 | K | A | -1.0647 | |
| 322 | I | A | -0.9182 | |
| 323 | Q | A | -1.4463 | |
| 324 | S | A | -1.0405 | |
| 325 | G | A | -1.2402 | |
| 326 | A | A | -1.2167 | |
| 327 | S | A | -1.3346 | |
| 328 | K | A | -2.1641 | |
| 329 | K | A | -1.6086 | |
| 330 | L | A | -1.0329 | |
| 331 | Y | A | 0.0000 | |
| 332 | D | A | -0.8109 | |
| 333 | M | A | 0.0000 | |
| 334 | I | A | -0.4114 | |
| 335 | D | A | -1.1005 | |
| 336 | V | A | 0.0000 | |
| 337 | L | A | -1.4341 | |
| 338 | R | A | -2.4874 | |
| 339 | E | A | -2.4305 | |
| 340 | G | A | -2.1676 | |
| 341 | N | A | -1.9943 | |
| 342 | M | A | -1.2389 | |
| 343 | R | A | -1.5414 |
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