| Chain sequence(s) |
A: MWTWALWMLPSLCKFSLAALPAKPENISCVYYYRKNLTCTWSPGKETSYTQYTVKRTYAFGEKHDNCTTNSSTSENRASCSFFLPRITIPDNYTIEVEAENGDGVIKSHMTYWRLENIAKTEPPKIFRVKPVLGIKRMIQIEWIKPELAPVSSDLKYTLRFRTVNSTSWMEVNFAKNRKDKNQTYNLTGLQPFTEYVIALRCAVKESKFWSDWSQEKMGMTEEGTSDEVDGGSGGSGLNDIFEAQKIEWHEGRTKHHHHHH
B: QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMGWFRQAPGKGREFVSGISSSGSTTFYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCARGSGISSDFDYYDYWGQGTLVTVSS 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] (00:00:02)
[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 all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:57)
[INFO] Main: Simulation completed successfully. (00:11:01)
|
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 | 1.8147 | |
| 2 | W | A | 2.0494 | |
| 3 | T | A | 1.3634 | |
| 4 | W | A | 2.1788 | |
| 5 | A | A | 2.1931 | |
| 6 | L | A | 2.9188 | |
| 7 | W | A | 3.0068 | |
| 8 | M | A | 2.7356 | |
| 9 | L | A | 2.6190 | |
| 10 | P | A | 1.2840 | |
| 11 | S | A | 1.0843 | |
| 12 | L | A | 1.5622 | |
| 13 | C | A | 1.0423 | |
| 14 | K | A | 0.0833 | |
| 15 | F | A | 1.5820 | |
| 16 | S | A | 1.1101 | |
| 17 | L | A | 1.6630 | |
| 18 | A | A | 0.4819 | |
| 19 | A | A | -0.0368 | |
| 20 | L | A | 0.1492 | |
| 21 | P | A | 0.0000 | |
| 22 | A | A | -1.5350 | |
| 23 | K | A | -1.9733 | |
| 24 | P | A | 0.0000 | |
| 25 | E | A | -2.4702 | |
| 26 | N | A | -1.4492 | |
| 27 | I | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | C | A | 0.0000 | |
| 30 | V | A | 0.1786 | |
| 31 | Y | A | 0.0000 | |
| 32 | Y | A | -0.4361 | |
| 33 | Y | A | 0.0000 | |
| 34 | R | A | -1.7680 | |
| 35 | K | A | -1.1749 | |
| 36 | N | A | -0.1705 | |
| 37 | L | A | 0.0000 | |
| 38 | T | A | 0.2014 | |
| 39 | C | A | 0.0000 | |
| 40 | T | A | -0.7365 | |
| 41 | W | A | 0.0000 | |
| 42 | S | A | -2.2600 | |
| 43 | P | A | -2.3982 | |
| 44 | G | A | -2.2277 | |
| 45 | K | A | -2.7114 | |
| 46 | E | A | -2.0969 | |
| 47 | T | A | -0.9757 | |
| 48 | S | A | -0.5439 | |
| 49 | Y | A | 0.3600 | |
| 50 | T | A | 0.0000 | |
| 51 | Q | A | -0.8441 | |
| 52 | Y | A | 0.0000 | |
| 53 | T | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | K | A | -1.6443 | |
| 56 | R | A | 0.0000 | |
| 57 | T | A | -1.4357 | |
| 58 | Y | A | 0.0000 | |
| 59 | A | A | -0.5616 | |
| 60 | F | A | 0.8552 | |
| 61 | G | A | -0.9621 | |
| 62 | E | A | -2.2991 | |
| 63 | K | A | -2.7422 | |
| 64 | H | A | -2.8781 | |
| 65 | D | A | -2.1696 | |
| 66 | N | A | -1.7641 | |
| 67 | C | A | -0.3507 | |
| 68 | T | A | -0.6572 | |
| 69 | T | A | -0.7535 | |
| 70 | N | A | -1.3393 | |
| 71 | S | A | -1.5694 | |
| 72 | S | A | -1.3608 | |
| 73 | T | A | -1.3577 | |
| 74 | S | A | -1.7162 | |
| 75 | E | A | -3.2543 | |
| 76 | N | A | -3.2400 | |
| 77 | R | A | -3.3214 | |
| 78 | A | A | -2.0333 | |
| 79 | S | A | -1.0411 | |
| 80 | C | A | 0.0000 | |
| 81 | S | A | 0.2924 | |
| 82 | F | A | 0.0000 | |
| 83 | F | A | 1.2313 | |
| 84 | L | A | 0.0670 | |
| 85 | P | A | -0.6812 | |
| 86 | R | A | -1.6320 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -0.4955 | |
| 89 | I | A | 0.0349 | |
| 90 | P | A | 0.1349 | |
| 91 | D | A | 0.0000 | |
| 92 | N | A | 0.2381 | |
| 93 | Y | A | 0.0000 | |
| 94 | T | A | -0.2200 | |
| 95 | I | A | 0.0000 | |
| 96 | E | A | -1.5436 | |
| 97 | V | A | 0.0000 | |
| 98 | E | A | -1.3483 | |
| 99 | A | A | 0.0000 | |
| 100 | E | A | -1.1078 | |
| 101 | N | A | -0.9086 | |
| 102 | G | A | -1.2061 | |
| 103 | D | A | -1.6153 | |
| 104 | G | A | -0.5422 | |
| 105 | V | A | -0.0641 | |
| 106 | I | A | -0.3319 | |
| 107 | K | A | -2.0283 | |
| 108 | S | A | 0.0000 | |
| 109 | H | A | -1.2576 | |
| 110 | M | A | -0.4832 | |
| 111 | T | A | 0.0000 | |
| 112 | Y | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | R | A | -0.4659 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -0.8876 | |
| 117 | N | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | -0.9148 | |
| 121 | T | A | 0.0000 | |
| 122 | E | A | -2.4955 | |
| 123 | P | A | -2.2392 | |
| 124 | P | A | 0.0000 | |
| 125 | K | A | -2.4811 | |
| 126 | I | A | 0.0000 | |
| 127 | F | A | -0.6950 | |
| 128 | R | A | -2.1988 | |
| 129 | V | A | -1.4773 | |
| 130 | K | A | -1.9729 | |
| 131 | P | A | -0.7692 | |
| 132 | V | A | 0.0000 | |
| 133 | L | A | 0.2338 | |
| 134 | G | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | K | A | -1.5572 | |
| 137 | R | A | -1.7747 | |
| 138 | M | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -1.1888 | |
| 141 | I | A | 0.0000 | |
| 142 | E | A | -1.8214 | |
| 143 | W | A | 0.0000 | |
| 144 | I | A | -0.8247 | |
| 145 | K | A | -1.8550 | |
| 146 | P | A | 0.0000 | |
| 147 | E | A | -2.0410 | |
| 148 | L | A | -1.3879 | |
| 149 | A | A | 0.0000 | |
| 150 | P | A | -0.1032 | |
| 151 | V | A | 0.4434 | |
| 152 | S | A | -0.3340 | |
| 153 | S | A | -1.1670 | |
| 154 | D | A | -2.0878 | |
| 155 | L | A | 0.0000 | |
| 156 | K | A | -1.1889 | |
| 157 | Y | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | R | A | -0.9721 | |
| 161 | F | A | -0.2047 | |
| 162 | R | A | -0.3304 | |
| 163 | T | A | -0.2106 | |
| 164 | V | A | 0.4402 | |
| 165 | N | A | -0.8580 | |
| 166 | S | A | -0.3577 | |
| 167 | T | A | -0.1574 | |
| 168 | S | A | -0.0843 | |
| 169 | W | A | -0.1233 | |
| 170 | M | A | -0.2956 | |
| 171 | E | A | -1.6826 | |
| 172 | V | A | -0.9937 | |
| 173 | N | A | -1.4867 | |
| 174 | F | A | -0.3482 | |
| 175 | A | A | -0.8996 | |
| 176 | K | A | -2.0516 | |
| 177 | N | A | -3.1844 | |
| 178 | R | A | -3.5541 | |
| 179 | K | A | -3.6958 | |
| 180 | D | A | -3.7472 | |
| 181 | K | A | -3.4870 | |
| 182 | N | A | -3.0115 | |
| 183 | Q | A | -1.5009 | |
| 184 | T | A | -0.9930 | |
| 185 | Y | A | -0.2595 | |
| 186 | N | A | -0.6541 | |
| 187 | L | A | 0.0000 | |
| 188 | T | A | -0.7685 | |
| 189 | G | A | -1.0614 | |
| 190 | L | A | 0.0000 | |
| 191 | Q | A | -1.5319 | |
| 192 | P | A | -0.8173 | |
| 193 | F | A | 0.4666 | |
| 194 | T | A | -0.1227 | |
| 195 | E | A | -0.4733 | |
| 196 | Y | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | R | A | -1.6214 | |
| 202 | C | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | K | A | -1.9801 | |
| 206 | E | A | -1.8973 | |
| 207 | S | A | 0.0000 | |
| 208 | K | A | -0.7589 | |
| 209 | F | A | -0.2237 | |
| 210 | W | A | -0.4163 | |
| 211 | S | A | 0.0000 | |
| 212 | D | A | -2.2076 | |
| 213 | W | A | -1.6245 | |
| 214 | S | A | 0.0000 | |
| 215 | Q | A | -2.3099 | |
| 216 | E | A | -1.7321 | |
| 217 | K | A | -1.3164 | |
| 218 | M | A | -0.2021 | |
| 219 | G | A | 0.0000 | |
| 220 | M | A | -0.2493 | |
| 221 | T | A | 0.0000 | |
| 222 | E | A | 0.0000 | |
| 223 | E | A | -1.6077 | |
| 224 | G | A | -1.4825 | |
| 225 | T | A | -1.0591 | |
| 226 | S | A | -1.0998 | |
| 227 | D | A | -1.9389 | |
| 228 | E | A | -1.9925 | |
| 229 | V | A | -1.2455 | |
| 230 | D | A | -2.2356 | |
| 231 | G | A | -1.3441 | |
| 232 | G | A | -1.0700 | |
| 233 | S | A | -0.9051 | |
| 234 | G | A | -0.7954 | |
| 235 | G | A | -0.7339 | |
| 236 | S | A | -0.3437 | |
| 237 | G | A | -0.1538 | |
| 238 | L | A | -0.2535 | |
| 239 | N | A | -1.1398 | |
| 240 | D | A | -1.0068 | |
| 241 | I | A | 0.8839 | |
| 242 | F | A | 0.5812 | |
| 243 | E | A | -1.9639 | |
| 244 | A | A | -1.6548 | |
| 245 | Q | A | -2.1788 | |
| 246 | K | A | -1.5588 | |
| 247 | I | A | -0.5150 | |
| 248 | E | A | -2.1073 | |
| 249 | W | A | -0.8070 | |
| 250 | H | A | -1.9016 | |
| 251 | E | A | -2.7332 | |
| 252 | G | A | -2.2558 | |
| 253 | R | A | -2.9193 | |
| 254 | T | A | -2.0397 | |
| 255 | K | A | -2.3177 | |
| 256 | H | A | -2.1211 | |
| 257 | H | A | -2.3047 | |
| 258 | H | A | -2.8877 | |
| 259 | H | A | -2.7677 | |
| 260 | H | A | -1.9554 | |
| 261 | H | A | -1.5444 | |
| 1 | Q | B | -1.3737 | |
| 2 | V | B | -0.6366 | |
| 3 | Q | B | -1.1157 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.2481 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.3910 | |
| 8 | G | B | -0.7720 | |
| 9 | G | B | 0.0943 | |
| 10 | G | B | 0.5937 | |
| 11 | L | B | 1.3196 | |
| 12 | V | B | 0.0000 | |
| 13 | Q | B | -1.3946 | |
| 14 | P | B | -1.6059 | |
| 15 | G | B | -1.4372 | |
| 16 | G | B | -0.9630 | |
| 17 | S | B | -1.3008 | |
| 18 | L | B | -1.0323 | |
| 19 | R | B | -2.0635 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.4804 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3095 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.8174 | |
| 26 | G | B | -0.6640 | |
| 27 | F | B | -0.1172 | |
| 28 | T | B | -0.2154 | |
| 29 | F | B | 0.0000 | |
| 30 | S | B | -0.5425 | |
| 31 | S | B | -0.3956 | |
| 32 | Y | B | -0.2296 | |
| 33 | A | B | 0.0000 | |
| 34 | M | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -1.5012 | |
| 40 | A | B | -1.3983 | |
| 41 | P | B | -1.0964 | |
| 42 | G | B | -1.6830 | |
| 43 | K | B | -2.7229 | |
| 44 | G | B | -2.3206 | |
| 45 | R | B | -2.1018 | |
| 46 | E | B | -1.8859 | |
| 47 | F | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | S | B | -0.6084 | |
| 55 | G | B | -0.6683 | |
| 56 | S | B | -0.2038 | |
| 57 | T | B | -0.1657 | |
| 58 | T | B | 0.0227 | |
| 59 | F | B | -0.1311 | |
| 60 | Y | B | -0.8215 | |
| 61 | A | B | -1.4696 | |
| 62 | D | B | -2.5032 | |
| 63 | S | B | -1.8041 | |
| 64 | V | B | 0.0000 | |
| 65 | K | B | -2.5218 | |
| 66 | G | B | -1.9065 | |
| 67 | R | B | -1.7274 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.8264 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.5019 | |
| 72 | R | B | -1.1979 | |
| 73 | D | B | -1.9236 | |
| 74 | N | B | -1.7321 | |
| 75 | A | B | -1.4538 | |
| 76 | K | B | -2.3994 | |
| 77 | N | B | -1.8564 | |
| 78 | T | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | Y | B | -0.6013 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.1764 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.5856 | |
| 85 | S | B | -1.3102 | |
| 86 | L | B | 0.0000 | |
| 87 | K | B | -2.3152 | |
| 88 | P | B | -1.9333 | |
| 89 | E | B | -2.3255 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.4469 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.6668 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | -0.0507 | |
| 99 | G | B | 0.0000 | |
| 100 | S | B | 0.0000 | |
| 101 | G | B | 0.0000 | |
| 102 | I | B | 0.0000 | |
| 103 | S | B | 0.0000 | |
| 104 | S | B | -0.7014 | |
| 105 | D | B | -0.8061 | |
| 106 | F | B | -0.2054 | |
| 107 | D | B | -1.4683 | |
| 108 | Y | B | 0.0000 | |
| 109 | Y | B | 0.0000 | |
| 110 | D | B | -0.6217 | |
| 111 | Y | B | 0.2139 | |
| 112 | W | B | 0.0324 | |
| 113 | G | B | -0.3588 | |
| 114 | Q | B | -0.8893 | |
| 115 | G | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | L | B | 1.5955 | |
| 118 | V | B | 0.0000 | |
| 119 | T | B | 0.2665 | |
| 120 | V | B | 0.0000 | |
| 121 | S | B | -0.9607 | |
| 122 | S | B | -0.7610 |
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