| Chain sequence(s) |
A: MTLKALELFAGIAGITHGLRGFVEPVAFVEINKDAQEFLSTKFPDKPVFDDVTKFSKRDFDEPIDMITGGFPCTGFSIAGKRNGFEHAESGLFGEVVRITKEYMPKMVFLENSGMLSHKYNLDIVIRSMDSLGYDCRWVTLRATVVGALHTRHRWFCLCTRKDHIRETLICDREVTKFDWENDRPPIQVDSRSYENSRLVRFAGYSVVPDQIRYAFTGLYTGNFSPSFSKTLVPGSLEGSICFNEDKITNGYYKDGVYYEFVRTETHR
B: EPVNILLTPREIPNKHNGKKLLTLPVTKRYWCTPCASYGKGTAGGRVLTDRSSHSLPTQVKFSPEGEDGKHLSGKFCAWLMGYDKEYLGNLLEY input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IA241A,VA262A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.03547 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:04:06)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:16)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:00)
[INFO] Main: Simulation completed successfully. (00:08:04)
|
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 | 0.9633 | |
| 2 | T | A | -0.1044 | |
| 3 | L | A | 0.0000 | |
| 4 | K | A | -1.0617 | |
| 5 | A | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | F | A | 0.3056 | |
| 10 | A | A | 0.0000 | |
| 11 | G | A | 0.0476 | |
| 12 | I | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | T | A | 0.0000 | |
| 17 | H | A | -0.4162 | |
| 18 | G | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | R | A | -1.3339 | |
| 21 | G | A | 0.0000 | |
| 22 | F | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | E | A | -1.3930 | |
| 25 | P | A | -0.7383 | |
| 26 | V | A | -0.7816 | |
| 27 | A | A | 0.0000 | |
| 28 | F | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | E | A | 0.0000 | |
| 31 | I | A | 0.0268 | |
| 32 | N | A | -1.5183 | |
| 33 | K | A | -2.5881 | |
| 34 | D | A | -1.9022 | |
| 35 | A | A | 0.0000 | |
| 36 | Q | A | -1.9292 | |
| 37 | E | A | -2.6150 | |
| 38 | F | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | S | A | -1.3516 | |
| 41 | T | A | -1.3733 | |
| 42 | K | A | -1.3798 | |
| 43 | F | A | -1.0785 | |
| 44 | P | A | -1.3425 | |
| 45 | D | A | -2.0591 | |
| 46 | K | A | -1.1586 | |
| 47 | P | A | -0.5930 | |
| 48 | V | A | -0.3272 | |
| 49 | F | A | -0.7132 | |
| 50 | D | A | -1.8009 | |
| 51 | D | A | -1.2473 | |
| 52 | V | A | 0.0000 | |
| 53 | T | A | -1.1557 | |
| 54 | K | A | -2.3664 | |
| 55 | F | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | K | A | -3.3767 | |
| 58 | R | A | -3.8977 | |
| 59 | D | A | -3.7659 | |
| 60 | F | A | 0.0000 | |
| 61 | D | A | -3.9688 | |
| 62 | E | A | -3.3527 | |
| 63 | P | A | -1.6510 | |
| 64 | I | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | M | A | 0.0000 | |
| 67 | I | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | G | A | 0.0854 | |
| 71 | F | A | 0.0000 | |
| 72 | P | A | 0.0556 | |
| 73 | C | A | 0.1489 | |
| 74 | T | A | 0.1782 | |
| 75 | G | A | -0.1736 | |
| 76 | F | A | 0.0000 | |
| 77 | S | A | 0.7623 | |
| 78 | I | A | 1.2702 | |
| 79 | A | A | 0.0110 | |
| 80 | G | A | -1.6418 | |
| 81 | K | A | -2.8051 | |
| 82 | R | A | -2.9679 | |
| 83 | N | A | -2.8756 | |
| 84 | G | A | -1.7501 | |
| 85 | F | A | -0.6229 | |
| 86 | E | A | -2.0934 | |
| 87 | H | A | -2.0502 | |
| 88 | A | A | -1.2424 | |
| 89 | E | A | -1.9144 | |
| 90 | S | A | -1.0595 | |
| 91 | G | A | -0.9774 | |
| 92 | L | A | -0.2412 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | -0.6111 | |
| 95 | E | A | -0.7999 | |
| 96 | V | A | 0.0000 | |
| 97 | V | A | -0.5043 | |
| 98 | R | A | -1.0694 | |
| 99 | I | A | 0.0000 | |
| 100 | T | A | 0.0000 | |
| 101 | K | A | -1.8699 | |
| 102 | E | A | -1.4966 | |
| 103 | Y | A | -1.1932 | |
| 104 | M | A | -0.5202 | |
| 105 | P | A | 0.0000 | |
| 106 | K | A | -1.0209 | |
| 107 | M | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | E | A | 0.0000 | |
| 112 | N | A | 0.0000 | |
| 113 | S | A | -0.1360 | |
| 114 | G | A | 0.0000 | |
| 115 | M | A | 0.1338 | |
| 116 | L | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | H | A | -1.0326 | |
| 119 | K | A | -1.1954 | |
| 120 | Y | A | 0.5853 | |
| 121 | N | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | D | A | -0.5093 | |
| 124 | I | A | -0.5736 | |
| 125 | V | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | R | A | -2.1181 | |
| 128 | S | A | -1.0064 | |
| 129 | M | A | 0.0000 | |
| 130 | D | A | -2.2517 | |
| 131 | S | A | -1.1510 | |
| 132 | L | A | -1.0835 | |
| 133 | G | A | -1.7466 | |
| 134 | Y | A | 0.0000 | |
| 135 | D | A | -2.8011 | |
| 136 | C | A | 0.0000 | |
| 137 | R | A | -0.7624 | |
| 138 | W | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | T | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | R | A | -1.3617 | |
| 143 | A | A | 0.0000 | |
| 144 | T | A | 0.0000 | |
| 145 | V | A | -0.6352 | |
| 146 | V | A | 0.0000 | |
| 147 | G | A | -1.2138 | |
| 148 | A | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | T | A | -0.5847 | |
| 152 | R | A | 0.0000 | |
| 153 | H | A | -0.8945 | |
| 154 | R | A | -0.6542 | |
| 155 | W | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | T | A | -1.3925 | |
| 161 | R | A | -2.1003 | |
| 162 | K | A | -3.0501 | |
| 163 | D | A | -2.6159 | |
| 164 | H | A | -1.2118 | |
| 165 | I | A | 0.4432 | |
| 166 | R | A | -0.3294 | |
| 167 | E | A | -0.9663 | |
| 168 | T | A | 0.2720 | |
| 169 | L | A | 0.0000 | |
| 170 | I | A | 0.3812 | |
| 171 | C | A | 0.0000 | |
| 172 | D | A | -2.5839 | |
| 173 | R | A | -3.4342 | |
| 174 | E | A | -3.1348 | |
| 175 | V | A | -1.7792 | |
| 176 | T | A | -1.2208 | |
| 177 | K | A | -1.4238 | |
| 178 | F | A | -1.7042 | |
| 179 | D | A | -3.2451 | |
| 180 | W | A | 0.0000 | |
| 181 | E | A | -3.4852 | |
| 182 | N | A | -3.7275 | |
| 183 | D | A | -3.6107 | |
| 184 | R | A | -2.7986 | |
| 185 | P | A | 0.0000 | |
| 186 | P | A | -0.9551 | |
| 187 | I | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | V | A | -1.5230 | |
| 190 | D | A | -2.7943 | |
| 191 | S | A | -1.9536 | |
| 192 | R | A | -2.0493 | |
| 193 | S | A | -0.5280 | |
| 194 | Y | A | 0.3550 | |
| 195 | E | A | -0.5904 | |
| 196 | N | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | R | A | -0.7932 | |
| 199 | L | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | R | A | -0.6596 | |
| 202 | F | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | 0.3995 | |
| 205 | Y | A | 1.1215 | |
| 206 | S | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | D | A | 0.0000 | |
| 211 | Q | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | R | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | T | A | -0.0544 | |
| 222 | G | A | -0.8835 | |
| 223 | N | A | -0.9958 | |
| 224 | F | A | -0.6110 | |
| 225 | S | A | -0.5546 | |
| 226 | P | A | -0.4297 | |
| 227 | S | A | -0.3191 | |
| 228 | F | A | -0.3566 | |
| 229 | S | A | -0.4905 | |
| 230 | K | A | -1.8685 | |
| 231 | T | A | -0.0723 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 1.1327 | |
| 234 | P | A | 0.2875 | |
| 235 | G | A | -0.4544 | |
| 236 | S | A | -0.9860 | |
| 237 | L | A | 0.0000 | |
| 238 | E | A | -2.1766 | |
| 239 | G | A | -1.4970 | |
| 240 | S | A | -0.6298 | |
| 241 | A | A | 0.3760 | mutated: IA241A |
| 242 | C | A | 0.0506 | |
| 243 | F | A | 0.8835 | |
| 244 | N | A | -1.6036 | |
| 245 | E | A | -2.8280 | |
| 246 | D | A | -2.9269 | |
| 247 | K | A | -2.4064 | |
| 248 | I | A | 0.0000 | |
| 249 | T | A | -0.8764 | |
| 250 | N | A | -0.6254 | |
| 251 | G | A | 0.0000 | |
| 252 | Y | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | K | A | -2.1739 | |
| 255 | D | A | -2.4303 | |
| 256 | G | A | -1.5934 | |
| 257 | V | A | 0.1456 | |
| 258 | Y | A | -0.0395 | |
| 259 | Y | A | -0.3161 | |
| 260 | E | A | -1.2796 | |
| 261 | F | A | 0.0000 | |
| 262 | A | A | -0.7568 | mutated: VA262A |
| 263 | R | A | -0.6819 | |
| 264 | T | A | -0.6124 | |
| 265 | E | A | -1.1171 | |
| 266 | T | A | -0.8262 | |
| 267 | H | A | -1.3981 | |
| 268 | R | A | -1.3087 | |
| 1 | E | B | -2.2122 | |
| 2 | P | B | -1.5787 | |
| 3 | V | B | -0.6044 | |
| 4 | N | B | -1.2242 | |
| 5 | I | B | 0.0000 | |
| 6 | L | B | 0.1137 | |
| 7 | L | B | 0.0000 | |
| 8 | T | B | -0.0480 | |
| 9 | P | B | -0.6453 | |
| 10 | R | B | -2.7717 | |
| 11 | E | B | -2.6683 | |
| 12 | I | B | -1.4274 | |
| 13 | P | B | -2.0830 | |
| 14 | N | B | -2.3943 | |
| 15 | K | B | -2.9412 | |
| 16 | H | B | -2.7420 | |
| 17 | N | B | -2.8071 | |
| 18 | G | B | -2.7221 | |
| 19 | K | B | -3.2527 | |
| 20 | K | B | -3.0489 | |
| 21 | L | B | -1.2229 | |
| 22 | L | B | -0.3908 | |
| 23 | T | B | 0.3198 | |
| 24 | L | B | 1.4372 | |
| 25 | P | B | 0.6866 | |
| 26 | V | B | 0.3428 | |
| 27 | T | B | -0.2212 | |
| 28 | K | B | -1.2016 | |
| 29 | R | B | -2.1035 | |
| 30 | Y | B | -0.9938 | |
| 31 | W | B | 0.0000 | |
| 32 | C | B | 0.0000 | |
| 33 | T | B | -0.1324 | |
| 34 | P | B | 0.0000 | |
| 35 | C | B | 0.2868 | |
| 36 | A | B | -0.2437 | |
| 37 | S | B | -0.6401 | |
| 38 | Y | B | -0.8051 | |
| 39 | G | B | 0.0000 | |
| 40 | K | B | -2.0084 | |
| 41 | G | B | -1.3095 | |
| 42 | T | B | 0.0000 | |
| 43 | A | B | -1.6807 | |
| 44 | G | B | -1.3138 | |
| 45 | G | B | -1.4369 | |
| 46 | R | B | -3.0074 | |
| 47 | V | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | T | B | 0.0000 | |
| 50 | D | B | -2.9735 | |
| 51 | R | B | -3.2771 | |
| 52 | S | B | -2.2760 | |
| 53 | S | B | 0.0000 | |
| 54 | H | B | -1.8745 | |
| 55 | S | B | -1.0324 | |
| 56 | L | B | 0.0000 | |
| 57 | P | B | 0.0000 | |
| 58 | T | B | 0.0000 | |
| 59 | Q | B | 0.0000 | |
| 60 | V | B | 0.0000 | |
| 61 | K | B | -2.0937 | |
| 62 | F | B | 0.0000 | |
| 63 | S | B | 0.0000 | |
| 64 | P | B | -1.3418 | |
| 65 | E | B | -2.4783 | |
| 66 | G | B | -2.6076 | |
| 67 | E | B | -3.7517 | |
| 68 | D | B | -3.8722 | |
| 69 | G | B | -2.8284 | |
| 70 | K | B | -2.8727 | |
| 71 | H | B | -1.9112 | |
| 72 | L | B | 0.0000 | |
| 73 | S | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | K | B | -1.0971 | |
| 76 | F | B | 0.0000 | |
| 77 | C | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | W | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | M | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | D | B | -2.9120 | |
| 85 | K | B | -3.4634 | |
| 86 | E | B | -3.1060 | |
| 87 | Y | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | G | B | -2.3964 | |
| 90 | N | B | -2.2260 | |
| 91 | L | B | -1.3405 | |
| 92 | L | B | 0.0000 | |
| 93 | E | B | -2.0130 | |
| 94 | Y | B | 0.1222 |
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