| Chain sequence(s) |
A: TGEVQLVQSGAEVKKPGSSVKVSCKASGGTFNRYTVNWVRQAPGQGLEWMGGIIPIFGTANYAQRFQGRLTITADESTSTAYMELSSLRSDDTAVYFCARENLDNSGTYYYFSGWFDPWGQGTLVTVSSQSALTQPRSVSGSPGQSVTISCTGTSSDIGGYNFVSWYQQHPGKAPKLMIYDATKRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCCSYAGDYTPGVVFGGGTKLTVLG
B: KKEKVKEIWTLGMETEEAYWNAGRSEKFWEIIKIVHEGLDAVRQGNEEEAQKYLEKLKQMLAEAKAL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:01)
[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] Analysis: Starting Aggrescan3D on folded.pdb (00:07:20)
[INFO] Main: Simulation completed successfully. (00:07:23)
|
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 | T | A | -0.5794 | |
| 2 | G | A | -1.3163 | |
| 3 | E | A | -2.5477 | |
| 4 | V | A | 0.0000 | |
| 5 | Q | A | -1.2902 | |
| 6 | L | A | 0.1396 | |
| 7 | V | A | 1.1762 | |
| 8 | Q | A | 0.0000 | |
| 9 | S | A | -0.4443 | |
| 10 | G | A | -0.5468 | |
| 11 | A | A | -0.2534 | |
| 12 | E | A | -0.6901 | |
| 13 | V | A | 0.2906 | |
| 14 | K | A | -1.1751 | |
| 15 | K | A | -2.3282 | |
| 16 | P | A | -2.4217 | |
| 17 | G | A | -1.5372 | |
| 18 | S | A | -1.2298 | |
| 19 | S | A | -1.3456 | |
| 20 | V | A | 0.0000 | |
| 21 | K | A | -1.9416 | |
| 22 | V | A | 0.0000 | |
| 23 | S | A | -0.1974 | |
| 24 | C | A | 0.0000 | |
| 25 | K | A | -0.1346 | |
| 26 | A | A | -0.2641 | |
| 27 | S | A | -0.9007 | |
| 28 | G | A | -1.3868 | |
| 29 | G | A | 0.0000 | |
| 30 | T | A | -0.6596 | |
| 31 | F | A | -0.7932 | |
| 32 | N | A | -1.6966 | |
| 33 | R | A | -0.8089 | |
| 34 | Y | A | 0.2953 | |
| 35 | T | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | N | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -0.3108 | |
| 42 | A | A | -0.8494 | |
| 43 | P | A | -0.9603 | |
| 44 | G | A | -1.3330 | |
| 45 | Q | A | -1.5830 | |
| 46 | G | A | -0.6558 | |
| 47 | L | A | 0.8454 | |
| 48 | E | A | 0.1080 | |
| 49 | W | A | 0.3355 | |
| 50 | M | A | 0.0000 | |
| 51 | G | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | P | A | 0.1612 | |
| 56 | I | A | 1.0342 | |
| 57 | F | A | 2.0972 | |
| 58 | G | A | 0.4363 | |
| 59 | T | A | 0.2810 | |
| 60 | A | A | -0.2311 | |
| 61 | N | A | -1.1040 | |
| 62 | Y | A | -1.1684 | |
| 63 | A | A | -1.5620 | |
| 64 | Q | A | -2.6232 | |
| 65 | R | A | -2.8504 | |
| 66 | F | A | 0.0000 | |
| 67 | Q | A | -2.5770 | |
| 68 | G | A | -1.8665 | |
| 69 | R | A | -1.5797 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.8084 | |
| 72 | I | A | 0.0000 | |
| 73 | T | A | -0.2878 | |
| 74 | A | A | -0.9984 | |
| 75 | D | A | -2.0216 | |
| 76 | E | A | -2.4418 | |
| 77 | S | A | -1.5156 | |
| 78 | T | A | -1.2539 | |
| 79 | S | A | -1.4473 | |
| 80 | T | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | Y | A | -0.2940 | |
| 83 | M | A | 0.0000 | |
| 84 | E | A | -1.1615 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | -1.1316 | |
| 87 | S | A | -1.2347 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -3.1468 | |
| 90 | S | A | -2.4504 | |
| 91 | D | A | -2.5447 | |
| 92 | D | A | 0.0000 | |
| 93 | T | A | -0.7930 | |
| 94 | A | A | 0.0000 | |
| 95 | V | A | 0.4172 | |
| 96 | Y | A | 0.0000 | |
| 97 | F | A | 0.6385 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | E | A | 0.0000 | |
| 102 | N | A | -0.4107 | |
| 103 | L | A | 0.0000 | |
| 104 | D | A | -0.9843 | |
| 105 | N | A | -1.9282 | |
| 106 | S | A | -1.1632 | |
| 107 | G | A | -0.5365 | |
| 108 | T | A | 0.3379 | |
| 109 | Y | A | 1.6466 | |
| 110 | Y | A | 1.9706 | |
| 111 | Y | A | 1.2075 | |
| 112 | F | A | 0.9772 | |
| 113 | S | A | 0.9235 | |
| 114 | G | A | 0.5544 | |
| 115 | W | A | 1.4388 | |
| 116 | F | A | 1.0001 | |
| 117 | D | A | -0.3094 | |
| 118 | P | A | -0.2402 | |
| 119 | W | A | 1.0402 | |
| 120 | G | A | 0.0000 | |
| 121 | Q | A | -0.4153 | |
| 122 | G | A | 0.0915 | |
| 123 | T | A | 0.0000 | |
| 124 | L | A | 0.4955 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | -0.3706 | |
| 127 | V | A | 0.0000 | |
| 128 | S | A | -1.5929 | |
| 129 | S | A | -1.6815 | |
| 130 | Q | A | -1.7593 | |
| 131 | S | A | -0.4072 | |
| 132 | A | A | 0.1849 | |
| 133 | L | A | 0.0000 | |
| 134 | T | A | -0.4330 | |
| 135 | Q | A | -0.7953 | |
| 136 | P | A | -1.4013 | |
| 137 | R | A | -2.2936 | |
| 138 | S | A | -1.7293 | |
| 139 | V | A | -0.7845 | |
| 140 | S | A | -0.3073 | |
| 141 | G | A | 0.0000 | |
| 142 | S | A | -0.3783 | |
| 143 | P | A | -0.8296 | |
| 144 | G | A | -1.2072 | |
| 145 | Q | A | -1.1964 | |
| 146 | S | A | -0.9616 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | -0.2172 | |
| 149 | I | A | 0.0000 | |
| 150 | S | A | -0.2004 | |
| 151 | C | A | 0.0000 | |
| 152 | T | A | -0.4850 | |
| 153 | G | A | -0.3193 | |
| 154 | T | A | -0.6458 | |
| 155 | S | A | -0.8135 | |
| 156 | S | A | -0.4280 | |
| 157 | D | A | -0.6024 | |
| 158 | I | A | 0.0000 | |
| 159 | G | A | -1.2612 | |
| 160 | G | A | -0.9900 | |
| 161 | Y | A | -0.8782 | |
| 162 | N | A | -1.5332 | |
| 163 | F | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | W | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | Q | A | 0.0000 | |
| 169 | Q | A | -1.7672 | |
| 170 | H | A | -1.9399 | |
| 171 | P | A | -1.4520 | |
| 172 | G | A | -1.5187 | |
| 173 | K | A | -2.4891 | |
| 174 | A | A | -1.8077 | |
| 175 | P | A | 0.0000 | |
| 176 | K | A | -1.5406 | |
| 177 | L | A | 0.0000 | |
| 178 | M | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | Y | A | -1.0478 | |
| 181 | D | A | -1.5845 | |
| 182 | A | A | 0.0000 | |
| 183 | T | A | -1.5139 | |
| 184 | K | A | -2.2256 | |
| 185 | R | A | -2.1451 | |
| 186 | P | A | 0.0000 | |
| 187 | S | A | -1.1569 | |
| 188 | G | A | -1.0510 | |
| 189 | V | A | -0.9855 | |
| 190 | P | A | -1.2683 | |
| 191 | D | A | -2.2436 | |
| 192 | R | A | -1.5393 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | -1.1287 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -0.7865 | |
| 197 | K | A | -1.2174 | |
| 198 | S | A | -0.9339 | |
| 199 | G | A | -1.1634 | |
| 200 | N | A | -1.2439 | |
| 201 | T | A | -0.8516 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | -0.3593 | |
| 204 | L | A | 0.0000 | |
| 205 | T | A | -0.2906 | |
| 206 | I | A | 0.0000 | |
| 207 | S | A | -1.0580 | |
| 208 | G | A | -1.0276 | |
| 209 | L | A | 0.0000 | |
| 210 | Q | A | -1.6887 | |
| 211 | A | A | -1.4165 | |
| 212 | E | A | -2.3243 | |
| 213 | D | A | 0.0000 | |
| 214 | E | A | -2.1197 | |
| 215 | A | A | 0.0000 | |
| 216 | D | A | -1.7834 | |
| 217 | Y | A | 0.0000 | |
| 218 | Y | A | 0.1535 | |
| 219 | C | A | 0.0000 | |
| 220 | C | A | 0.9263 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | D | A | -0.5367 | |
| 226 | Y | A | 0.6567 | |
| 227 | T | A | 0.1780 | |
| 228 | P | A | -0.6617 | |
| 229 | G | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | F | A | 1.8988 | |
| 233 | G | A | 0.0000 | |
| 234 | G | A | -0.8578 | |
| 235 | G | A | -0.9186 | |
| 236 | T | A | 0.0000 | |
| 237 | K | A | -2.6535 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | -0.6458 | |
| 240 | V | A | -0.5024 | |
| 241 | L | A | 0.5846 | |
| 242 | G | A | -0.0332 | |
| 1 | K | B | -3.5933 | |
| 2 | K | B | -3.6409 | |
| 3 | E | B | -3.9141 | |
| 4 | K | B | -3.5278 | |
| 5 | V | B | 0.0000 | |
| 6 | K | B | -3.4475 | |
| 7 | E | B | -2.6356 | |
| 8 | I | B | 0.0000 | |
| 9 | W | B | 0.0000 | |
| 10 | T | B | -1.3292 | |
| 11 | L | B | 0.0000 | |
| 12 | G | B | 0.0000 | |
| 13 | M | B | -0.9264 | |
| 14 | E | B | -1.8647 | |
| 15 | T | B | 0.0000 | |
| 16 | E | B | 0.0000 | |
| 17 | E | B | -1.8884 | |
| 18 | A | B | 0.0000 | |
| 19 | Y | B | 0.0000 | |
| 20 | W | B | -1.6480 | |
| 21 | N | B | -1.8033 | |
| 22 | A | B | -1.2059 | |
| 23 | G | B | -1.3342 | |
| 24 | R | B | -1.6672 | |
| 25 | S | B | -2.1000 | |
| 26 | E | B | -2.5753 | |
| 27 | K | B | -1.7707 | |
| 28 | F | B | 0.0000 | |
| 29 | W | B | -0.6985 | |
| 30 | E | B | -1.5836 | |
| 31 | I | B | 0.0000 | |
| 32 | I | B | -0.7348 | |
| 33 | K | B | -1.9314 | |
| 34 | I | B | -1.3922 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.4668 | |
| 37 | E | B | -1.9477 | |
| 38 | G | B | 0.0000 | |
| 39 | L | B | 0.0000 | |
| 40 | D | B | -1.6975 | |
| 41 | A | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | R | B | -2.2877 | |
| 44 | Q | B | -2.2676 | |
| 45 | G | B | -2.6254 | |
| 46 | N | B | -3.2516 | |
| 47 | E | B | -4.4417 | |
| 48 | E | B | -4.2638 | |
| 49 | E | B | -4.2293 | |
| 50 | A | B | 0.0000 | |
| 51 | Q | B | -3.7434 | |
| 52 | K | B | -3.9695 | |
| 53 | Y | B | -3.0471 | |
| 54 | L | B | 0.0000 | |
| 55 | E | B | -3.3801 | |
| 56 | K | B | -2.6919 | |
| 57 | L | B | 0.0000 | |
| 58 | K | B | -3.0573 | |
| 59 | Q | B | -2.8819 | |
| 60 | M | B | 0.0000 | |
| 61 | L | B | -2.0226 | |
| 62 | A | B | -1.7446 | |
| 63 | E | B | -1.9410 | |
| 64 | A | B | 0.0000 | |
| 65 | K | B | -1.9902 | |
| 66 | A | B | -0.6047 | |
| 67 | L | B | 0.0938 |
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