| Chain sequence(s) |
A: MELHDLDLNLLVVFNQLMVDKRVSIVAQSLGLTQPAVSNALKRLRTALQDELFVRTHQGMEPTPYAAHLAEPIAHAMHSLREALHHEERFDPLTSERTFTLAMTDIGEIYFMPRLIDALARKAPHCTISTVRGSSVSLGQSLQDGTVDLAVRVLPNLQAGFLQRRLLHNRYVCLCRKNHPATREPLTLERFCAYSHIRVIAASTGHGEVDSLMARAGIRRDIRLEVPHFVAVGHILQHTELLATVPERFADCCVEPFGLNVLPIPIDLPEIPINMFWHAKYHKDLANIWLRQLMFELFSD
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 (00:03:55)
[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 | 0.0035 | |
| 2 | E | A | -1.3973 | |
| 3 | L | A | -0.2000 | |
| 4 | H | A | -1.6918 | |
| 5 | D | A | -2.3077 | |
| 6 | L | A | -1.6963 | |
| 7 | D | A | -2.2417 | |
| 8 | L | A | -0.6698 | |
| 9 | N | A | -1.2903 | |
| 10 | L | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | V | A | -0.0823 | |
| 13 | V | A | 0.0000 | |
| 14 | F | A | 0.0000 | |
| 15 | N | A | 0.0673 | |
| 16 | Q | A | 0.3202 | |
| 17 | L | A | 0.0000 | |
| 18 | M | A | 0.1638 | |
| 19 | V | A | 1.3684 | |
| 20 | D | A | 0.1791 | |
| 21 | K | A | -1.0578 | |
| 22 | R | A | -1.3141 | |
| 23 | V | A | -0.5653 | |
| 24 | S | A | -0.3656 | |
| 25 | I | A | 0.4966 | |
| 26 | V | A | 0.0000 | |
| 27 | A | A | 0.0000 | |
| 28 | Q | A | -0.8064 | |
| 29 | S | A | -0.2863 | |
| 30 | L | A | 0.1284 | |
| 31 | G | A | -0.3699 | |
| 32 | L | A | 0.1278 | |
| 33 | T | A | -0.5163 | |
| 34 | Q | A | -1.0082 | |
| 35 | P | A | -0.6987 | |
| 36 | A | A | -0.5602 | |
| 37 | V | A | 0.0000 | |
| 38 | S | A | -1.2803 | |
| 39 | N | A | -1.8662 | |
| 40 | A | A | -1.8835 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -3.0921 | |
| 43 | R | A | -3.0065 | |
| 44 | L | A | 0.0000 | |
| 45 | R | A | -2.4900 | |
| 46 | T | A | -1.8777 | |
| 47 | A | A | -1.4180 | |
| 48 | L | A | -0.8438 | |
| 49 | Q | A | -1.9160 | |
| 50 | D | A | -1.8359 | |
| 51 | E | A | -1.9721 | |
| 52 | L | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | V | A | -0.4956 | |
| 55 | R | A | -2.1753 | |
| 56 | T | A | -1.7067 | |
| 57 | H | A | -2.0505 | |
| 58 | Q | A | -2.3559 | |
| 59 | G | A | -2.0052 | |
| 60 | M | A | 0.0000 | |
| 61 | E | A | -1.3964 | |
| 62 | P | A | -0.6238 | |
| 63 | T | A | -0.3273 | |
| 64 | P | A | -0.2517 | |
| 65 | Y | A | 0.0396 | |
| 66 | A | A | 0.0000 | |
| 67 | A | A | -0.6006 | |
| 68 | H | A | -1.0801 | |
| 69 | L | A | -0.5989 | |
| 70 | A | A | -0.9342 | |
| 71 | E | A | -2.2623 | |
| 72 | P | A | -1.5242 | |
| 73 | I | A | -0.9884 | |
| 74 | A | A | -1.2776 | |
| 75 | H | A | -1.8557 | |
| 76 | A | A | -1.1832 | |
| 77 | M | A | 0.0000 | |
| 78 | H | A | -1.7761 | |
| 79 | S | A | -1.3297 | |
| 80 | L | A | -0.5919 | |
| 81 | R | A | -1.6701 | |
| 82 | E | A | -2.6582 | |
| 83 | A | A | -1.1229 | |
| 84 | L | A | -0.2445 | |
| 85 | H | A | -2.3398 | |
| 86 | H | A | -3.3195 | |
| 87 | E | A | -4.0114 | |
| 88 | E | A | -4.0513 | |
| 89 | R | A | -3.5744 | |
| 90 | F | A | -1.7178 | |
| 91 | D | A | -1.5497 | |
| 92 | P | A | -0.9814 | |
| 93 | L | A | -0.1676 | |
| 94 | T | A | -0.6603 | |
| 95 | S | A | -1.5604 | |
| 96 | E | A | -2.4234 | |
| 97 | R | A | -1.4929 | |
| 98 | T | A | -0.7685 | |
| 99 | F | A | 0.0000 | |
| 100 | T | A | 0.0592 | |
| 101 | L | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | T | A | -0.7203 | |
| 105 | D | A | -0.4809 | |
| 106 | I | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | E | A | -0.4301 | |
| 109 | I | A | 0.3224 | |
| 110 | Y | A | -0.3447 | |
| 111 | F | A | 0.0000 | |
| 112 | M | A | -0.2487 | |
| 113 | P | A | -0.7622 | |
| 114 | R | A | -1.3895 | |
| 115 | L | A | 0.0000 | |
| 116 | I | A | -0.0872 | |
| 117 | D | A | -1.9557 | |
| 118 | A | A | -1.4314 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | -1.2918 | |
| 121 | R | A | -2.3111 | |
| 122 | K | A | -1.6770 | |
| 123 | A | A | 0.0000 | |
| 124 | P | A | -1.3334 | |
| 125 | H | A | -1.8734 | |
| 126 | C | A | -1.0880 | |
| 127 | T | A | -0.5036 | |
| 128 | I | A | 0.4127 | |
| 129 | S | A | 0.1809 | |
| 130 | T | A | -0.2076 | |
| 131 | V | A | -0.4058 | |
| 132 | R | A | -1.6858 | |
| 133 | G | A | -0.7421 | |
| 134 | S | A | -0.2703 | |
| 135 | S | A | -0.0712 | |
| 136 | V | A | 1.1577 | |
| 137 | S | A | 0.0909 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | -1.0803 | |
| 140 | Q | A | -1.8194 | |
| 141 | S | A | -1.4174 | |
| 142 | L | A | 0.0000 | |
| 143 | Q | A | -2.4521 | |
| 144 | D | A | -2.8043 | |
| 145 | G | A | -1.7111 | |
| 146 | T | A | -1.0138 | |
| 147 | V | A | 0.0000 | |
| 148 | D | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | V | A | 0.1064 | |
| 154 | L | A | -0.3126 | |
| 155 | P | A | -0.8178 | |
| 156 | N | A | -1.3329 | |
| 157 | L | A | -0.7765 | |
| 158 | Q | A | -1.3507 | |
| 159 | A | A | -0.5653 | |
| 160 | G | A | -0.6695 | |
| 161 | F | A | -0.5174 | |
| 162 | L | A | -0.6429 | |
| 163 | Q | A | -1.6910 | |
| 164 | R | A | -2.1316 | |
| 165 | R | A | -2.1286 | |
| 166 | L | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | H | A | -2.0052 | |
| 169 | N | A | 0.0000 | |
| 170 | R | A | -1.8640 | |
| 171 | Y | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | R | A | -2.1810 | |
| 177 | K | A | -2.5172 | |
| 178 | N | A | -2.8435 | |
| 179 | H | A | 0.0000 | |
| 180 | P | A | -1.6998 | |
| 181 | A | A | 0.0000 | |
| 182 | T | A | -2.0497 | |
| 183 | R | A | -2.9760 | |
| 184 | E | A | -2.8840 | |
| 185 | P | A | -1.5290 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -0.8474 | |
| 188 | L | A | -0.5122 | |
| 189 | E | A | -1.8549 | |
| 190 | R | A | -1.1641 | |
| 191 | F | A | 0.0000 | |
| 192 | C | A | -1.1628 | |
| 193 | A | A | -0.8880 | |
| 194 | Y | A | -0.9026 | |
| 195 | S | A | -1.2990 | |
| 196 | H | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | R | A | -1.4368 | |
| 199 | V | A | 0.0000 | |
| 200 | I | A | -0.2580 | |
| 201 | A | A | 0.0000 | |
| 202 | A | A | -0.2681 | |
| 203 | S | A | -0.4810 | |
| 204 | T | A | -0.4468 | |
| 205 | G | A | -0.6911 | |
| 206 | H | A | 0.0000 | |
| 207 | G | A | -1.0741 | |
| 208 | E | A | -1.8560 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -1.1449 | |
| 211 | S | A | -1.1477 | |
| 212 | L | A | -1.0462 | |
| 213 | M | A | 0.0000 | |
| 214 | A | A | -1.5275 | |
| 215 | R | A | -2.0087 | |
| 216 | A | A | -1.3488 | |
| 217 | G | A | -1.3503 | |
| 218 | I | A | -1.3453 | |
| 219 | R | A | -2.6003 | |
| 220 | R | A | -2.1790 | |
| 221 | D | A | -2.3959 | |
| 222 | I | A | -1.7376 | |
| 223 | R | A | -2.2933 | |
| 224 | L | A | -1.5086 | |
| 225 | E | A | -2.0354 | |
| 226 | V | A | 0.0000 | |
| 227 | P | A | -0.5209 | |
| 228 | H | A | -0.4440 | |
| 229 | F | A | 0.0000 | |
| 230 | V | A | 1.2201 | |
| 231 | A | A | 0.3745 | |
| 232 | V | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | H | A | -0.9506 | |
| 235 | I | A | -0.6373 | |
| 236 | L | A | 0.0000 | |
| 237 | Q | A | -2.1347 | |
| 238 | H | A | -1.8079 | |
| 239 | T | A | -1.6668 | |
| 240 | E | A | -2.2916 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | E | A | -1.4994 | |
| 248 | R | A | -1.2485 | |
| 249 | F | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | D | A | -2.0315 | |
| 252 | C | A | -0.8925 | |
| 253 | C | A | 0.0000 | |
| 254 | V | A | -1.1792 | |
| 255 | E | A | -1.9610 | |
| 256 | P | A | -1.1982 | |
| 257 | F | A | -1.0716 | |
| 258 | G | A | -1.6616 | |
| 259 | L | A | 0.0000 | |
| 260 | N | A | -1.0708 | |
| 261 | V | A | 0.1889 | |
| 262 | L | A | 0.3534 | |
| 263 | P | A | -0.1172 | |
| 264 | I | A | 0.0000 | |
| 265 | P | A | -0.6282 | |
| 266 | I | A | 0.0000 | |
| 267 | D | A | -1.9125 | |
| 268 | L | A | -1.2661 | |
| 269 | P | A | -1.5519 | |
| 270 | E | A | -2.5755 | |
| 271 | I | A | 0.0000 | |
| 272 | P | A | -1.0519 | |
| 273 | I | A | 0.0000 | |
| 274 | N | A | -1.1216 | |
| 275 | M | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | W | A | 0.0000 | |
| 278 | H | A | -1.2767 | |
| 279 | A | A | -1.3486 | |
| 280 | K | A | -2.5021 | |
| 281 | Y | A | -1.5573 | |
| 282 | H | A | -1.4191 | |
| 283 | K | A | -1.9880 | |
| 284 | D | A | -1.6794 | |
| 285 | L | A | -0.7166 | |
| 286 | A | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | I | A | 0.3164 | |
| 289 | W | A | 0.2666 | |
| 290 | L | A | 0.0000 | |
| 291 | R | A | 0.0000 | |
| 292 | Q | A | -1.0815 | |
| 293 | L | A | 0.0000 | |
| 294 | M | A | 0.0000 | |
| 295 | F | A | -1.3244 | |
| 296 | E | A | -2.0177 | |
| 297 | L | A | -1.1319 | |
| 298 | F | A | 0.0000 | |
| 299 | S | A | -1.6291 | |
| 300 | D | A | -2.2128 |
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