| Chain sequence(s) |
A: GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPAYVMAGVGSPYVAAYFAFGGAVENPEYAAYLPTHDPSPLQRYAAYLLEDDDMGDLVD
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 (00:03:18)
[INFO] Main: Simulation completed successfully. (00:03:20)
|
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 | G | A | -1.3955 | |
| 2 | S | A | -1.1867 | |
| 3 | H | A | -0.7567 | |
| 4 | S | A | 0.0000 | |
| 5 | M | A | 0.0000 | |
| 6 | R | A | -0.0949 | |
| 7 | Y | A | 0.0000 | |
| 8 | F | A | 0.6797 | |
| 9 | F | A | 0.0000 | |
| 10 | T | A | 0.1846 | |
| 11 | S | A | 0.0000 | |
| 12 | V | A | -0.4300 | |
| 13 | S | A | -1.3741 | |
| 14 | R | A | -1.9521 | |
| 15 | P | A | -2.0302 | |
| 16 | G | A | -2.1599 | |
| 17 | R | A | -2.8866 | |
| 18 | G | A | -2.5617 | |
| 19 | E | A | -3.0109 | |
| 20 | P | A | -2.0838 | |
| 21 | R | A | -1.4424 | |
| 22 | F | A | 0.0000 | |
| 23 | I | A | 0.0881 | |
| 24 | A | A | 0.0000 | |
| 25 | V | A | 0.0587 | |
| 26 | G | A | 0.0000 | |
| 27 | Y | A | -0.0707 | |
| 28 | V | A | 0.0000 | |
| 29 | D | A | -0.7807 | |
| 30 | D | A | -0.8587 | |
| 31 | T | A | -0.4485 | |
| 32 | Q | A | -0.5944 | |
| 33 | F | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | R | A | -1.2305 | |
| 36 | F | A | 0.0000 | |
| 37 | D | A | -1.2323 | |
| 38 | S | A | -1.4321 | |
| 39 | D | A | -1.6839 | |
| 40 | A | A | -0.9654 | |
| 41 | A | A | -0.6959 | |
| 42 | S | A | -1.0259 | |
| 43 | Q | A | -1.5554 | |
| 44 | R | A | -2.1463 | |
| 45 | M | A | 0.0000 | |
| 46 | E | A | -1.5700 | |
| 47 | P | A | -1.8050 | |
| 48 | R | A | -1.7777 | |
| 49 | A | A | 0.0000 | |
| 50 | P | A | -1.4892 | |
| 51 | W | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | E | A | -2.8542 | |
| 54 | Q | A | -2.4921 | |
| 55 | E | A | -1.9347 | |
| 56 | G | A | -1.6218 | |
| 57 | P | A | -1.9304 | |
| 58 | E | A | -2.4943 | |
| 59 | Y | A | -1.6489 | |
| 60 | W | A | -2.1010 | |
| 61 | D | A | -2.9133 | |
| 62 | G | A | -2.2391 | |
| 63 | E | A | -1.9603 | |
| 64 | T | A | -2.4718 | |
| 65 | R | A | -2.8322 | |
| 66 | K | A | -1.9813 | |
| 67 | V | A | 0.0000 | |
| 68 | K | A | -1.7799 | |
| 69 | A | A | 0.0000 | |
| 70 | H | A | 0.0000 | |
| 71 | S | A | -0.9839 | |
| 72 | Q | A | -1.4983 | |
| 73 | T | A | 0.0000 | |
| 74 | H | A | 0.0000 | |
| 75 | R | A | -1.5869 | |
| 76 | V | A | -0.3478 | |
| 77 | D | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | G | A | -0.8122 | |
| 80 | T | A | -0.7139 | |
| 81 | L | A | 0.0000 | |
| 82 | R | A | -1.3506 | |
| 83 | G | A | -1.3279 | |
| 84 | Y | A | -0.3038 | |
| 85 | Y | A | -0.4493 | |
| 86 | N | A | -1.7476 | |
| 87 | Q | A | -1.6620 | |
| 88 | S | A | -1.7457 | |
| 89 | E | A | -2.4887 | |
| 90 | A | A | -1.3874 | |
| 91 | G | A | -1.2562 | |
| 92 | S | A | -0.9925 | |
| 93 | H | A | -0.7184 | |
| 94 | T | A | -0.7021 | |
| 95 | V | A | 0.0000 | |
| 96 | Q | A | -0.8135 | |
| 97 | R | A | 0.0000 | |
| 98 | M | A | 0.1506 | |
| 99 | Y | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | C | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | G | A | -1.2719 | |
| 105 | S | A | -1.5620 | |
| 106 | D | A | -2.3362 | |
| 107 | W | A | -1.5908 | |
| 108 | R | A | -2.1127 | |
| 109 | F | A | -0.6056 | |
| 110 | L | A | -0.1518 | |
| 111 | R | A | -1.7572 | |
| 112 | G | A | 0.0000 | |
| 113 | Y | A | -1.0471 | |
| 114 | H | A | 0.0000 | |
| 115 | Q | A | -0.8957 | |
| 116 | Y | A | 0.0000 | |
| 117 | A | A | -1.6699 | |
| 118 | Y | A | 0.0000 | |
| 119 | D | A | -1.7488 | |
| 120 | G | A | -1.9202 | |
| 121 | K | A | -2.5139 | |
| 122 | D | A | -2.7555 | |
| 123 | Y | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | -0.9875 | |
| 126 | L | A | 0.0000 | |
| 127 | K | A | -2.3041 | |
| 128 | E | A | -3.2289 | |
| 129 | D | A | -2.9207 | |
| 130 | L | A | 0.0000 | |
| 131 | R | A | -2.7532 | |
| 132 | S | A | -1.8279 | |
| 133 | W | A | 0.0000 | |
| 134 | T | A | -0.6742 | |
| 135 | A | A | -0.5166 | |
| 136 | A | A | -0.3102 | |
| 137 | D | A | -0.1862 | |
| 138 | M | A | 0.8021 | |
| 139 | A | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | Q | A | -0.4072 | |
| 142 | T | A | -0.7041 | |
| 143 | T | A | 0.0000 | |
| 144 | K | A | -1.0513 | |
| 145 | H | A | -1.0868 | |
| 146 | K | A | 0.0000 | |
| 147 | W | A | 0.0000 | |
| 148 | E | A | -1.9194 | |
| 149 | A | A | -0.8747 | |
| 150 | A | A | -1.3116 | |
| 151 | H | A | -1.8752 | |
| 152 | V | A | 0.0000 | |
| 153 | A | A | 0.0000 | |
| 154 | E | A | -1.6508 | |
| 155 | Q | A | -0.6476 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.1174 | |
| 158 | A | A | -0.6823 | |
| 159 | Y | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | E | A | -0.5933 | |
| 162 | G | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | C | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | E | A | 0.0000 | |
| 167 | W | A | -0.4776 | |
| 168 | L | A | 0.0000 | |
| 169 | R | A | -1.8985 | |
| 170 | R | A | -2.2747 | |
| 171 | Y | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | E | A | -3.6769 | |
| 174 | N | A | -3.4374 | |
| 175 | G | A | 0.0000 | |
| 176 | K | A | -3.9304 | |
| 177 | E | A | -3.2864 | |
| 178 | T | A | -2.0370 | |
| 179 | L | A | 0.0000 | |
| 180 | Q | A | -2.0728 | |
| 181 | R | A | -1.6695 | |
| 182 | T | A | -1.2112 | |
| 183 | D | A | -1.4207 | |
| 184 | A | A | -1.2206 | |
| 185 | P | A | 0.0000 | |
| 186 | K | A | -1.8298 | |
| 187 | T | A | -0.9166 | |
| 188 | H | A | -0.7744 | |
| 189 | M | A | -0.3610 | |
| 190 | T | A | -0.5934 | |
| 191 | H | A | -0.6623 | |
| 192 | H | A | -0.3868 | |
| 193 | A | A | -0.1487 | |
| 194 | V | A | 0.9333 | |
| 195 | S | A | -0.6477 | |
| 196 | D | A | -2.1859 | |
| 197 | H | A | -2.0833 | |
| 198 | E | A | -1.0213 | |
| 199 | A | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -0.3197 | |
| 203 | C | A | 0.0000 | |
| 204 | W | A | -0.3071 | |
| 205 | A | A | 0.0000 | |
| 206 | L | A | -0.7641 | |
| 207 | S | A | -0.9736 | |
| 208 | F | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | P | A | -1.4135 | |
| 211 | A | A | -1.6343 | |
| 212 | E | A | -2.2208 | |
| 213 | I | A | -1.2791 | |
| 214 | T | A | -0.5700 | |
| 215 | L | A | 0.0000 | |
| 216 | T | A | -0.5919 | |
| 217 | W | A | 0.0000 | |
| 218 | Q | A | -2.4725 | |
| 219 | R | A | -2.7648 | |
| 220 | D | A | -3.3082 | |
| 221 | G | A | -2.7152 | |
| 222 | E | A | -3.2500 | |
| 223 | D | A | -2.5941 | |
| 224 | Q | A | 0.0000 | |
| 225 | T | A | -1.8082 | |
| 226 | Q | A | -2.3626 | |
| 227 | D | A | -2.4139 | |
| 228 | T | A | -1.4490 | |
| 229 | E | A | -0.9168 | |
| 230 | L | A | 0.0286 | |
| 231 | V | A | -0.5149 | |
| 232 | E | A | -1.9432 | |
| 233 | T | A | -1.7840 | |
| 234 | R | A | -2.1947 | |
| 235 | P | A | -1.7837 | |
| 236 | A | A | -1.2990 | |
| 237 | G | A | -1.6899 | |
| 238 | D | A | -2.1730 | |
| 239 | G | A | -1.4728 | |
| 240 | T | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | Q | A | -1.1073 | |
| 243 | K | A | -0.6592 | |
| 244 | W | A | -0.2407 | |
| 245 | A | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | V | A | 1.1980 | |
| 249 | V | A | 0.0000 | |
| 250 | P | A | -0.6431 | |
| 251 | S | A | -1.1734 | |
| 252 | G | A | -1.2161 | |
| 253 | Q | A | -1.3040 | |
| 254 | E | A | -1.6041 | |
| 255 | Q | A | -2.5466 | |
| 256 | R | A | -2.8448 | |
| 257 | Y | A | 0.0000 | |
| 258 | T | A | -1.7824 | |
| 259 | C | A | 0.0000 | |
| 260 | H | A | -0.4510 | |
| 261 | V | A | 0.0000 | |
| 262 | Q | A | -1.6027 | |
| 263 | H | A | 0.0000 | |
| 264 | E | A | -2.7712 | |
| 265 | G | A | -1.6571 | |
| 266 | L | A | -1.4041 | |
| 267 | P | A | -1.4685 | |
| 268 | K | A | -2.1636 | |
| 269 | P | A | -1.3676 | |
| 270 | L | A | -0.3901 | |
| 271 | T | A | -0.3671 | |
| 272 | L | A | -0.5436 | |
| 273 | R | A | -1.8047 | |
| 274 | W | A | -1.6903 | |
| 275 | E | A | -2.5889 | |
| 276 | P | A | -1.4984 | |
| 1 | A | A | 1.6877 | |
| 2 | Y | A | 2.9271 | |
| 3 | V | A | 3.2885 | |
| 4 | M | A | 2.9000 | |
| 5 | A | A | 2.5504 | |
| 6 | G | A | 2.2722 | |
| 7 | V | A | 2.6568 | |
| 8 | G | A | 0.6030 | |
| 9 | S | A | 0.8215 | |
| 10 | P | A | 1.1002 | |
| 11 | Y | A | 1.4137 | |
| 12 | V | A | 2.0943 | |
| 13 | A | A | 2.3548 | |
| 14 | A | A | 0.0000 | |
| 15 | Y | A | 2.2200 | |
| 16 | F | A | 2.3043 | |
| 17 | A | A | 1.7317 | |
| 18 | F | A | 1.6966 | |
| 19 | G | A | 0.6388 | |
| 20 | G | A | 0.0000 | |
| 21 | A | A | 0.2211 | |
| 22 | V | A | 0.4255 | |
| 23 | E | A | -1.5347 | |
| 24 | N | A | -1.4213 | |
| 25 | P | A | -1.2536 | |
| 26 | E | A | -1.4566 | |
| 27 | Y | A | 0.2053 | |
| 28 | A | A | 0.2581 | |
| 29 | A | A | 0.2325 | |
| 30 | Y | A | 1.3295 | |
| 31 | L | A | 0.0000 | |
| 32 | P | A | 0.2807 | |
| 33 | T | A | -0.1880 | |
| 34 | H | A | -1.1435 | |
| 35 | D | A | -2.1177 | |
| 36 | P | A | -1.6416 | |
| 37 | S | A | -1.3720 | |
| 38 | P | A | -1.1599 | |
| 39 | L | A | 0.0000 | |
| 40 | Q | A | -1.7110 | |
| 41 | R | A | -1.7155 | |
| 42 | Y | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | A | A | -0.5563 | |
| 45 | Y | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | -0.1103 | |
| 48 | E | A | -0.9805 | |
| 49 | D | A | -1.0286 | |
| 50 | D | A | -1.3610 | |
| 51 | D | A | -2.1477 | |
| 52 | M | A | -1.0324 | |
| 53 | G | A | -1.4978 | |
| 54 | D | A | -2.2034 | |
| 55 | L | A | -0.6966 | |
| 56 | V | A | 0.3672 | |
| 57 | D | A | -1.6439 |
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