| Chain sequence(s) |
A: MSEVSVINQATEVEDAAAGLDLPPGFRFHPTDEEIISHYLTPKALDHRFCSGVIGEVDLNKCEPWHLPGKAKMGEKEWYFFCHKDRKYPTGTRTNRATMSGYWKATGKDKEIFRGRGILVGMKKTLVFYLGRAPRGEKTGWVMHEFRLEGRLPHPLPRSAKDEWAVSKVFNKELTATNGAMATAMAAAPDAGIERVSSFGFISDHFLDAGELPPLMDPPLGGDVDQVIDFNSNSAYATGGRSGSGLEVKMEQHMPPHMMYSSPYFSLPAANSGDLSPAIRRYCKAEQVSGQTSALSPSRDTGLSTDPNAAGCAEISSAPTPSSHNQDFLDHLDEYPALNLADIWKY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.6986 | |
| 2 | S | A | -0.1434 | |
| 3 | E | A | -0.6399 | |
| 4 | V | A | 1.5760 | |
| 5 | S | A | 1.3536 | |
| 6 | V | A | 2.4149 | |
| 7 | I | A | 2.0870 | |
| 8 | N | A | -0.4103 | |
| 9 | Q | A | -1.2805 | |
| 10 | A | A | -0.9803 | |
| 11 | T | A | -1.1560 | |
| 12 | E | A | -1.9342 | |
| 13 | V | A | -0.5416 | |
| 14 | E | A | -2.3499 | |
| 15 | D | A | -2.4296 | |
| 16 | A | A | -1.2781 | |
| 17 | A | A | -0.9643 | |
| 18 | A | A | -0.7316 | |
| 19 | G | A | -0.8309 | |
| 20 | L | A | -0.6640 | |
| 21 | D | A | -1.5515 | |
| 22 | L | A | -0.7655 | |
| 23 | P | A | -0.5317 | |
| 24 | P | A | -0.7856 | |
| 25 | G | A | -1.0550 | |
| 26 | F | A | -1.2579 | |
| 27 | R | A | -1.8440 | |
| 28 | F | A | -1.2607 | |
| 29 | H | A | -1.7286 | |
| 30 | P | A | -1.0841 | |
| 31 | T | A | -0.8611 | |
| 32 | D | A | -1.0782 | |
| 33 | E | A | -0.9849 | |
| 34 | E | A | -1.1308 | |
| 35 | I | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | S | A | -0.6975 | |
| 38 | H | A | -0.4686 | |
| 39 | Y | A | -0.0864 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | 0.0000 | |
| 42 | P | A | -0.2205 | |
| 43 | K | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | L | A | 0.0021 | |
| 46 | D | A | -1.1655 | |
| 47 | H | A | -1.7942 | |
| 48 | R | A | -2.0184 | |
| 49 | F | A | -0.4620 | |
| 50 | C | A | -0.1128 | |
| 51 | S | A | 0.0000 | |
| 52 | G | A | -0.0810 | |
| 53 | V | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | E | A | -2.3294 | |
| 57 | V | A | 0.0000 | |
| 58 | D | A | -2.0697 | |
| 59 | L | A | -1.4841 | |
| 60 | N | A | -1.4561 | |
| 61 | K | A | -1.8178 | |
| 62 | C | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | P | A | 0.0000 | |
| 65 | W | A | 0.0043 | |
| 66 | H | A | -1.2020 | |
| 67 | L | A | 0.0000 | |
| 68 | P | A | -1.4761 | |
| 69 | G | A | -1.5216 | |
| 70 | K | A | -2.4076 | |
| 71 | A | A | -1.9243 | |
| 72 | K | A | -1.7368 | |
| 73 | M | A | -1.2091 | |
| 74 | G | A | -1.7336 | |
| 75 | E | A | -2.3579 | |
| 76 | K | A | -1.8163 | |
| 77 | E | A | -1.4141 | |
| 78 | W | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | C | A | 0.0000 | |
| 83 | H | A | -2.3518 | |
| 84 | K | A | -2.7140 | |
| 85 | D | A | -2.8222 | |
| 86 | R | A | -3.0462 | |
| 87 | K | A | -2.1720 | |
| 88 | Y | A | -0.4896 | |
| 89 | P | A | -0.6073 | |
| 90 | T | A | -0.4555 | |
| 91 | G | A | -0.9200 | |
| 92 | T | A | -1.6984 | |
| 93 | R | A | -2.6571 | |
| 94 | T | A | -2.3321 | |
| 95 | N | A | -1.9575 | |
| 96 | R | A | -1.7033 | |
| 97 | A | A | -0.7694 | |
| 98 | T | A | 0.0000 | |
| 99 | M | A | 0.5161 | |
| 100 | S | A | 0.1576 | |
| 101 | G | A | 0.0000 | |
| 102 | Y | A | -0.7856 | |
| 103 | W | A | 0.0000 | |
| 104 | K | A | -1.7976 | |
| 105 | A | A | -1.2394 | |
| 106 | T | A | -1.1223 | |
| 107 | G | A | -1.6557 | |
| 108 | K | A | -2.8002 | |
| 109 | D | A | -2.6260 | |
| 110 | K | A | -3.0805 | |
| 111 | E | A | -2.2893 | |
| 112 | I | A | 0.0000 | |
| 113 | F | A | 0.3727 | |
| 114 | R | A | -0.2892 | |
| 115 | G | A | -1.0674 | |
| 116 | R | A | -1.6829 | |
| 117 | G | A | -0.3502 | |
| 118 | I | A | 0.4975 | |
| 119 | L | A | 0.0619 | |
| 120 | V | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | M | A | -1.4836 | |
| 123 | K | A | -1.8619 | |
| 124 | K | A | -1.5657 | |
| 125 | T | A | -1.1871 | |
| 126 | L | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | Y | A | -1.6569 | |
| 130 | L | A | -0.7414 | |
| 131 | G | A | -1.5644 | |
| 132 | R | A | -2.3976 | |
| 133 | A | A | -1.9309 | |
| 134 | P | A | -1.9822 | |
| 135 | R | A | -3.0122 | |
| 136 | G | A | -2.6232 | |
| 137 | E | A | -3.0485 | |
| 138 | K | A | -2.7367 | |
| 139 | T | A | -1.5102 | |
| 140 | G | A | -1.3167 | |
| 141 | W | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | M | A | 0.0000 | |
| 144 | H | A | -0.3707 | |
| 145 | E | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | R | A | -1.2376 | |
| 148 | L | A | 0.0000 | |
| 149 | E | A | -1.4381 | |
| 150 | G | A | -0.9716 | |
| 151 | R | A | -1.8278 | |
| 152 | L | A | -1.1876 | |
| 153 | P | A | -0.9715 | |
| 154 | H | A | -1.2354 | |
| 155 | P | A | -1.1524 | |
| 156 | L | A | 0.0000 | |
| 157 | P | A | -1.5377 | |
| 158 | R | A | -2.7066 | |
| 159 | S | A | -2.0220 | |
| 160 | A | A | -1.6634 | |
| 161 | K | A | -2.1375 | |
| 162 | D | A | -3.3355 | |
| 163 | E | A | -2.5871 | |
| 164 | W | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | -0.2781 | |
| 169 | V | A | 0.0000 | |
| 170 | F | A | -0.8741 | |
| 171 | N | A | -1.1681 | |
| 172 | K | A | -2.3633 | |
| 173 | E | A | -2.2724 | |
| 174 | L | A | -0.9711 | |
| 175 | T | A | -1.3840 | |
| 176 | A | A | -0.9036 | |
| 177 | T | A | -0.4809 | |
| 178 | N | A | -0.6260 | |
| 179 | G | A | -0.1133 | |
| 180 | A | A | 0.4340 | |
| 181 | M | A | 1.1232 | |
| 182 | A | A | 0.7194 | |
| 183 | T | A | 0.5810 | |
| 184 | A | A | 0.9115 | |
| 185 | M | A | 1.3814 | |
| 186 | A | A | 0.6756 | |
| 187 | A | A | 0.3325 | |
| 188 | A | A | -0.1690 | |
| 189 | P | A | -0.9079 | |
| 190 | D | A | -1.7471 | |
| 191 | A | A | -0.8988 | |
| 192 | G | A | -0.5541 | |
| 193 | I | A | 0.4632 | |
| 194 | E | A | -1.4148 | |
| 195 | R | A | -1.4943 | |
| 196 | V | A | 0.7142 | |
| 197 | S | A | 0.2919 | |
| 198 | S | A | 1.0586 | |
| 199 | F | A | 2.5805 | |
| 200 | G | A | 1.6008 | |
| 201 | F | A | 2.6235 | |
| 202 | I | A | 2.6283 | |
| 203 | S | A | 0.6170 | |
| 204 | D | A | -0.9669 | |
| 205 | H | A | -0.3511 | |
| 206 | F | A | 1.4726 | |
| 207 | L | A | 0.9153 | |
| 208 | D | A | -1.2474 | |
| 209 | A | A | -0.6733 | |
| 210 | G | A | -1.1903 | |
| 211 | E | A | -1.5808 | |
| 212 | L | A | 0.5726 | |
| 213 | P | A | 0.3942 | |
| 214 | P | A | 0.8119 | |
| 215 | L | A | 1.6782 | |
| 216 | M | A | 0.7989 | |
| 217 | D | A | -1.1261 | |
| 218 | P | A | -0.7404 | |
| 219 | P | A | -0.1054 | |
| 220 | L | A | 1.0365 | |
| 221 | G | A | -0.3455 | |
| 222 | G | A | -0.8738 | |
| 223 | D | A | -1.6015 | |
| 224 | V | A | -0.3141 | |
| 225 | D | A | -1.4761 | |
| 226 | Q | A | -0.5457 | |
| 227 | V | A | 1.4769 | |
| 228 | I | A | 2.0919 | |
| 229 | D | A | 0.1440 | |
| 230 | F | A | 1.1074 | |
| 231 | N | A | -0.9053 | |
| 232 | S | A | -1.2603 | |
| 233 | N | A | -1.7310 | |
| 234 | S | A | -0.6551 | |
| 235 | A | A | 0.4297 | |
| 236 | Y | A | 1.3170 | |
| 237 | A | A | 0.5849 | |
| 238 | T | A | -0.0906 | |
| 239 | G | A | -1.1463 | |
| 240 | G | A | -1.6843 | |
| 241 | R | A | -2.3754 | |
| 242 | S | A | -1.5463 | |
| 243 | G | A | -1.1700 | |
| 244 | S | A | -0.4184 | |
| 245 | G | A | -0.3566 | |
| 246 | L | A | 0.8030 | |
| 247 | E | A | -0.7252 | |
| 248 | V | A | 0.4747 | |
| 249 | K | A | -1.1751 | |
| 250 | M | A | -0.7913 | |
| 251 | E | A | -2.2329 | |
| 252 | Q | A | -2.0793 | |
| 253 | H | A | -1.4725 | |
| 254 | M | A | 0.0071 | |
| 255 | P | A | -0.1949 | |
| 256 | P | A | -0.3513 | |
| 257 | H | A | -0.1041 | |
| 258 | M | A | 1.3237 | |
| 259 | M | A | 1.8356 | |
| 260 | Y | A | 1.8063 | |
| 261 | S | A | 0.6759 | |
| 262 | S | A | 0.2666 | |
| 263 | P | A | 0.7505 | |
| 264 | Y | A | 2.2909 | |
| 265 | F | A | 2.8391 | |
| 266 | S | A | 1.7470 | |
| 267 | L | A | 1.9894 | |
| 268 | P | A | 0.5488 | |
| 269 | A | A | -0.0374 | |
| 270 | A | A | -0.7500 | |
| 271 | N | A | -1.7144 | |
| 272 | S | A | -1.3092 | |
| 273 | G | A | -1.3565 | |
| 274 | D | A | -1.5706 | |
| 275 | L | A | 0.2430 | |
| 276 | S | A | -0.3301 | |
| 277 | P | A | -0.8012 | |
| 278 | A | A | -0.5488 | |
| 279 | I | A | -0.2950 | |
| 280 | R | A | -2.1162 | |
| 281 | R | A | -2.4772 | |
| 282 | Y | A | -1.2183 | |
| 283 | C | A | -1.4787 | |
| 284 | K | A | -2.7942 | |
| 285 | A | A | -1.8531 | |
| 286 | E | A | -2.6218 | |
| 287 | Q | A | -1.5238 | |
| 288 | V | A | 0.2737 | |
| 289 | S | A | -0.5235 | |
| 290 | G | A | -0.8604 | |
| 291 | Q | A | -1.3497 | |
| 292 | T | A | -0.7192 | |
| 293 | S | A | -0.1976 | |
| 294 | A | A | 0.4512 | |
| 295 | L | A | 1.3166 | |
| 296 | S | A | 0.1390 | |
| 297 | P | A | -0.7345 | |
| 298 | S | A | -1.5540 | |
| 299 | R | A | -2.9763 | |
| 300 | D | A | -2.7775 | |
| 301 | T | A | -1.3067 | |
| 302 | G | A | -0.4713 | |
| 303 | L | A | 0.9974 | |
| 304 | S | A | 0.0799 | |
| 305 | T | A | -0.7611 | |
| 306 | D | A | -2.2949 | |
| 307 | P | A | -1.9028 | |
| 308 | N | A | -1.7573 | |
| 309 | A | A | -0.6808 | |
| 310 | A | A | -0.2399 | |
| 311 | G | A | -0.0589 | |
| 312 | C | A | 0.1190 | |
| 313 | A | A | -0.1464 | |
| 314 | E | A | -0.6791 | |
| 315 | I | A | 0.9818 | |
| 316 | S | A | 0.3677 | |
| 317 | S | A | 0.0716 | |
| 318 | A | A | -0.2374 | |
| 319 | P | A | -0.3575 | |
| 320 | T | A | -0.3565 | |
| 321 | P | A | -0.4870 | |
| 322 | S | A | -0.6513 | |
| 323 | S | A | -1.1295 | |
| 324 | H | A | -1.9847 | |
| 325 | N | A | -2.7427 | |
| 326 | Q | A | -2.5195 | |
| 327 | D | A | -1.5315 | |
| 328 | F | A | 1.0383 | |
| 329 | L | A | 1.0095 | |
| 330 | D | A | -0.8437 | |
| 331 | H | A | -0.9193 | |
| 332 | L | A | -0.4997 | |
| 333 | D | A | -1.8548 | |
| 334 | E | A | -1.7518 | |
| 335 | Y | A | 0.3218 | |
| 336 | P | A | 0.1679 | |
| 337 | A | A | 0.6604 | |
| 338 | L | A | 1.2917 | |
| 339 | N | A | 0.1046 | |
| 340 | L | A | 1.3121 | |
| 341 | A | A | 0.4855 | |
| 342 | D | A | -0.3464 | |
| 343 | I | A | 1.6686 | |
| 344 | W | A | 1.1332 | |
| 345 | K | A | -0.3028 | |
| 346 | Y | A | 0.9022 |
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