| Chain sequence(s) |
A: MPIQSIKARQIYDSRGNPTVEVDLVTENGLFRAAVPSGASTGVHEALELRDNDKSKYHGKSVFKAVDNINNIIVPELLKSGLEVTQQTDIDNLLLKIDGTPNKAKLGANAILGVSLAVCKAGAAKKGIPLYKYIAELAGNSNIVLPVPAFNVINGGSHAGNKLAMQEFMILPLGAANFTEAMKMGSEVYHYLKAGIKKKFGLDATAVGDEGGFAPNILENKEALNLIIDAIKTAGYEGKIKIGMDVAASEFHKNGKYDLDFKNEKSDPATYLEPDALKNLYLEWVKGLPHRFY
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:00)
[INFO] Main: Simulation completed successfully. (00:08:02)
|
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 | 0.2009 | |
| 2 | P | A | -0.4690 | |
| 3 | I | A | 0.0000 | |
| 4 | Q | A | -1.0397 | |
| 5 | S | A | -0.4945 | |
| 6 | I | A | 0.0000 | |
| 7 | K | A | -1.6278 | |
| 8 | A | A | 0.0000 | |
| 9 | R | A | -0.8224 | |
| 10 | Q | A | 0.2266 | |
| 11 | I | A | 0.7380 | |
| 12 | Y | A | 0.9500 | |
| 13 | D | A | -0.1689 | |
| 14 | S | A | -1.0861 | |
| 15 | R | A | -1.4832 | |
| 16 | G | A | -0.4864 | |
| 17 | N | A | -0.4879 | |
| 18 | P | A | 0.0000 | |
| 19 | T | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | E | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | D | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | -0.5455 | |
| 26 | T | A | 0.0000 | |
| 27 | E | A | -2.4502 | |
| 28 | N | A | -2.1436 | |
| 29 | G | A | -0.8678 | |
| 30 | L | A | 0.2321 | |
| 31 | F | A | -0.1315 | |
| 32 | R | A | -1.0916 | |
| 33 | A | A | 0.0000 | |
| 34 | A | A | -0.0486 | |
| 35 | V | A | 0.0000 | |
| 36 | P | A | -0.2464 | |
| 37 | S | A | -0.6833 | |
| 38 | G | A | -0.6940 | |
| 39 | A | A | -0.6264 | |
| 40 | S | A | -0.3984 | |
| 41 | T | A | -0.6305 | |
| 42 | G | A | -0.5552 | |
| 43 | V | A | 0.6122 | |
| 44 | H | A | -1.1700 | |
| 45 | E | A | -2.0314 | |
| 46 | A | A | -1.1762 | |
| 47 | L | A | -0.7137 | |
| 48 | E | A | -0.8276 | |
| 49 | L | A | -0.9538 | |
| 50 | R | A | -1.4880 | |
| 51 | D | A | -2.2472 | |
| 52 | N | A | -3.0614 | |
| 53 | D | A | -2.9844 | |
| 54 | K | A | -3.3176 | |
| 55 | S | A | -2.1667 | |
| 56 | K | A | -2.4256 | |
| 57 | Y | A | -1.5461 | |
| 58 | H | A | -2.5049 | |
| 59 | G | A | 0.0000 | |
| 60 | K | A | -2.1852 | |
| 61 | S | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | F | A | -0.4055 | |
| 64 | K | A | -1.5760 | |
| 65 | A | A | 0.0000 | |
| 66 | V | A | -1.0538 | |
| 67 | D | A | -1.9029 | |
| 68 | N | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | N | A | -1.7170 | |
| 71 | N | A | -1.7206 | |
| 72 | I | A | -0.4468 | |
| 73 | I | A | 0.0000 | |
| 74 | V | A | -0.9526 | |
| 75 | P | A | -1.0873 | |
| 76 | E | A | -1.5936 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | -1.0077 | |
| 79 | K | A | -1.9654 | |
| 80 | S | A | -1.3709 | |
| 81 | G | A | -0.8060 | |
| 82 | L | A | -0.5608 | |
| 83 | E | A | -0.5853 | |
| 84 | V | A | 0.0000 | |
| 85 | T | A | -0.8822 | |
| 86 | Q | A | -0.9158 | |
| 87 | Q | A | 0.0000 | |
| 88 | T | A | -1.0984 | |
| 89 | D | A | -1.8119 | |
| 90 | I | A | 0.0000 | |
| 91 | D | A | -1.2785 | |
| 92 | N | A | -1.8655 | |
| 93 | L | A | -1.3087 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | -1.1967 | |
| 96 | K | A | -1.7891 | |
| 97 | I | A | -1.0249 | |
| 98 | D | A | 0.0000 | |
| 99 | G | A | -1.3597 | |
| 100 | T | A | -1.2170 | |
| 101 | P | A | -0.8164 | |
| 102 | N | A | -1.6157 | |
| 103 | K | A | -1.5247 | |
| 104 | A | A | -1.1957 | |
| 105 | K | A | -1.8251 | |
| 106 | L | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | A | A | -0.4511 | |
| 109 | N | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | L | A | 0.6728 | |
| 113 | G | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | S | A | 0.2748 | |
| 116 | L | A | 0.3360 | |
| 117 | A | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | C | A | 0.2300 | |
| 120 | K | A | -0.2565 | |
| 121 | A | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | A | A | -1.2550 | |
| 125 | K | A | -2.2016 | |
| 126 | K | A | -1.7954 | |
| 127 | G | A | -1.2783 | |
| 128 | I | A | -0.3454 | |
| 129 | P | A | 0.2229 | |
| 130 | L | A | 0.7139 | |
| 131 | Y | A | 1.6006 | |
| 132 | K | A | -0.0066 | |
| 133 | Y | A | 0.0000 | |
| 134 | I | A | 1.1002 | |
| 135 | A | A | 0.0000 | |
| 136 | E | A | -1.4551 | |
| 137 | L | A | 0.0772 | |
| 138 | A | A | -0.4553 | |
| 139 | G | A | -1.3292 | |
| 140 | N | A | -1.6998 | |
| 141 | S | A | -1.3673 | |
| 142 | N | A | -0.7473 | |
| 143 | I | A | 1.6547 | |
| 144 | V | A | 2.9703 | |
| 145 | L | A | 2.7841 | |
| 146 | P | A | 1.7298 | |
| 147 | V | A | 1.8927 | |
| 148 | P | A | 1.1423 | |
| 149 | A | A | 0.6196 | |
| 150 | F | A | 0.3959 | |
| 151 | N | A | -0.2967 | |
| 152 | V | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | N | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | S | A | -0.7287 | |
| 158 | H | A | -0.8060 | |
| 159 | A | A | -0.8906 | |
| 160 | G | A | -0.9276 | |
| 161 | N | A | 0.0000 | |
| 162 | K | A | -1.7083 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | M | A | 0.0000 | |
| 166 | Q | A | 0.0000 | |
| 167 | E | A | -0.5381 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 0.2356 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.7088 | |
| 172 | P | A | 0.0000 | |
| 173 | L | A | 0.3176 | |
| 174 | G | A | -0.7358 | |
| 175 | A | A | -0.4910 | |
| 176 | A | A | -0.5792 | |
| 177 | N | A | -0.7091 | |
| 178 | F | A | 0.4627 | |
| 179 | T | A | -0.6965 | |
| 180 | E | A | -1.3042 | |
| 181 | A | A | 0.0000 | |
| 182 | M | A | -0.3413 | |
| 183 | K | A | -1.4958 | |
| 184 | M | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | S | A | -0.8190 | |
| 187 | E | A | -1.1384 | |
| 188 | V | A | 0.0000 | |
| 189 | Y | A | -0.5162 | |
| 190 | H | A | -1.0068 | |
| 191 | Y | A | -0.6621 | |
| 192 | L | A | 0.0000 | |
| 193 | K | A | -1.2732 | |
| 194 | A | A | -1.3109 | |
| 195 | G | A | -1.9558 | |
| 196 | I | A | 0.0000 | |
| 197 | K | A | -2.3410 | |
| 198 | K | A | -2.8945 | |
| 199 | K | A | -2.5267 | |
| 200 | F | A | -1.4537 | |
| 201 | G | A | -1.1653 | |
| 202 | L | A | -0.2886 | |
| 203 | D | A | -1.1693 | |
| 204 | A | A | 0.0000 | |
| 205 | T | A | -0.2671 | |
| 206 | A | A | 0.2896 | |
| 207 | V | A | 0.8193 | |
| 208 | G | A | -0.6306 | |
| 209 | D | A | -2.2595 | |
| 210 | E | A | -1.9344 | |
| 211 | G | A | -0.6353 | |
| 212 | G | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | A | A | -0.4493 | |
| 215 | P | A | 0.0000 | |
| 216 | N | A | -1.6381 | |
| 217 | I | A | 0.0000 | |
| 218 | L | A | -0.1509 | |
| 219 | E | A | -1.4536 | |
| 220 | N | A | 0.0000 | |
| 221 | K | A | -1.5565 | |
| 222 | E | A | -1.5211 | |
| 223 | A | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | N | A | -1.8899 | |
| 226 | L | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | I | A | -1.8514 | |
| 229 | D | A | -2.7526 | |
| 230 | A | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | K | A | -2.9755 | |
| 233 | T | A | -1.6408 | |
| 234 | A | A | -1.3666 | |
| 235 | G | A | -1.9770 | |
| 236 | Y | A | -2.0132 | |
| 237 | E | A | -3.2487 | |
| 238 | G | A | -2.3427 | |
| 239 | K | A | -1.7520 | |
| 240 | I | A | 0.0000 | |
| 241 | K | A | -0.9403 | |
| 242 | I | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | M | A | 0.1337 | |
| 245 | D | A | -0.4557 | |
| 246 | V | A | -0.2280 | |
| 247 | A | A | -0.5544 | |
| 248 | A | A | -0.6194 | |
| 249 | S | A | -0.9708 | |
| 250 | E | A | -1.2849 | |
| 251 | F | A | 0.0000 | |
| 252 | H | A | -1.6491 | |
| 253 | K | A | -1.9534 | |
| 254 | N | A | -2.0815 | |
| 255 | G | A | -1.8359 | |
| 256 | K | A | -2.0380 | |
| 257 | Y | A | -1.1576 | |
| 258 | D | A | 0.0000 | |
| 259 | L | A | -0.2118 | |
| 260 | D | A | -1.2946 | |
| 261 | F | A | -1.5185 | |
| 262 | K | A | -1.8468 | |
| 263 | N | A | -2.5634 | |
| 264 | E | A | -3.1849 | |
| 265 | K | A | -3.3012 | |
| 266 | S | A | -2.5472 | |
| 267 | D | A | -2.6753 | |
| 268 | P | A | -1.5586 | |
| 269 | A | A | -0.6380 | |
| 270 | T | A | -0.7990 | |
| 271 | Y | A | 0.0000 | |
| 272 | L | A | -1.1440 | |
| 273 | E | A | -2.5322 | |
| 274 | P | A | -2.4802 | |
| 275 | D | A | -3.1606 | |
| 276 | A | A | -2.0920 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -2.8426 | |
| 279 | N | A | -2.5311 | |
| 280 | L | A | -1.1048 | |
| 281 | Y | A | -0.8330 | |
| 282 | L | A | -0.9543 | |
| 283 | E | A | -2.1857 | |
| 284 | W | A | 0.0000 | |
| 285 | V | A | -0.3643 | |
| 286 | K | A | -2.0378 | |
| 287 | G | A | -1.5552 | |
| 288 | L | A | -1.1378 | |
| 289 | P | A | -1.1195 | |
| 290 | H | A | 0.0000 | |
| 291 | R | A | -1.6344 | |
| 292 | F | A | 0.1598 | |
| 293 | Y | A | 1.0615 |
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