| Chain sequence(s) |
A: DIVMTQSHKFMSTSVGDRVSITCKASQDVNTAVAWYQQKPGHSPKLLIYSASFRYTGVPDRFTGSRSGTDFTFTISSVQAEDLAVYYCQQHYTTPPTFGGGTKVEIKRTGGGGSGGGGSGGGGSQVQLQQSGPELVKPGASLKLSCTASGFNIKDTYIHWVKQRPEQGLEWIGRIYPTNGYTRYDPKFQDKATITADTSSNTAYLQVSRLTSEDTAVYYCSRWGGDGFYAMDYGGGGSGGGGSGGGGSVFGGIGDPVTCLKSGAICHPVFCPRRYKQIGTCGLPGTKCCKKP
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] (00:00:01)
[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 A 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 (00:05:20)
[INFO] Main: Simulation completed successfully. (00:05:23)
|
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 | D | A | -1.4641 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.8547 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.4540 | |
| 6 | Q | A | -1.1300 | |
| 7 | S | A | -1.0913 | |
| 8 | H | A | -1.3754 | |
| 9 | K | A | -1.4992 | |
| 10 | F | A | 0.3083 | |
| 11 | M | A | -0.1131 | |
| 12 | S | A | -0.6081 | |
| 13 | T | A | 0.0000 | |
| 14 | S | A | -0.9522 | |
| 15 | V | A | 0.2641 | |
| 16 | G | A | -0.6233 | |
| 17 | D | A | -1.5573 | |
| 18 | R | A | -2.2630 | |
| 19 | V | A | 0.0000 | |
| 20 | S | A | -0.6018 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.8015 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.7657 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -0.9874 | |
| 27 | Q | A | -2.1435 | |
| 28 | D | A | -2.7299 | |
| 29 | V | A | 0.0000 | |
| 30 | N | A | -1.8718 | |
| 31 | T | A | -0.5510 | |
| 32 | A | A | 0.0814 | |
| 33 | V | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.2088 | |
| 40 | P | A | -0.4751 | |
| 41 | G | A | -0.9133 | |
| 42 | H | A | -1.8504 | |
| 43 | S | A | -1.1822 | |
| 44 | P | A | 0.0000 | |
| 45 | K | A | -1.3976 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | 0.9506 | |
| 50 | S | A | 0.4770 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.4510 | |
| 53 | F | A | 1.5291 | |
| 54 | R | A | -0.1526 | |
| 55 | Y | A | 0.0010 | |
| 56 | T | A | -0.3018 | |
| 57 | G | A | -1.1197 | |
| 58 | V | A | -0.9975 | |
| 59 | P | A | -1.2446 | |
| 60 | D | A | -2.1160 | |
| 61 | R | A | -1.4035 | |
| 62 | F | A | 0.0000 | |
| 63 | T | A | -0.4128 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.4023 | |
| 66 | R | A | -1.4002 | |
| 67 | S | A | -1.2238 | |
| 68 | G | A | -1.7653 | |
| 69 | T | A | -2.0940 | |
| 70 | D | A | -1.8210 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.6436 | |
| 73 | F | A | 0.0000 | |
| 74 | T | A | -0.5515 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.4944 | |
| 77 | S | A | -1.2658 | |
| 78 | V | A | 0.0000 | |
| 79 | Q | A | -0.4037 | |
| 80 | A | A | -0.4920 | |
| 81 | E | A | -1.1287 | |
| 82 | D | A | 0.0000 | |
| 83 | L | A | -0.2254 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | -0.2777 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | H | A | 0.6346 | |
| 92 | Y | A | 0.9176 | |
| 93 | T | A | 0.2467 | |
| 94 | T | A | -0.3611 | |
| 95 | P | A | -0.6732 | |
| 96 | P | A | 0.0000 | |
| 97 | T | A | 0.0366 | |
| 98 | F | A | 0.1173 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.4033 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.8166 | |
| 104 | V | A | 0.0000 | |
| 105 | E | A | -1.5017 | |
| 106 | I | A | -1.4640 | |
| 107 | K | A | -2.6692 | |
| 108 | R | A | -2.8825 | |
| 109 | T | A | -1.6178 | |
| 110 | G | A | -1.6374 | |
| 111 | G | A | -1.3919 | |
| 112 | G | A | -1.3321 | |
| 113 | G | A | -1.1291 | |
| 114 | S | A | -0.9849 | |
| 115 | G | A | -1.2728 | |
| 116 | G | A | -1.3070 | |
| 117 | G | A | -1.2436 | |
| 118 | G | A | -1.3663 | |
| 119 | S | A | -1.1893 | |
| 120 | G | A | -1.5348 | |
| 121 | G | A | -1.4868 | |
| 122 | G | A | -1.5123 | |
| 123 | G | A | -1.3809 | |
| 124 | S | A | -1.3070 | |
| 125 | Q | A | -1.9688 | |
| 126 | V | A | -1.1174 | |
| 127 | Q | A | -1.5475 | |
| 128 | L | A | 0.0000 | |
| 129 | Q | A | -1.7496 | |
| 130 | Q | A | -1.1274 | |
| 131 | S | A | -1.1767 | |
| 132 | G | A | -1.2918 | |
| 133 | P | A | -0.8940 | |
| 134 | E | A | -1.1723 | |
| 135 | L | A | 0.5251 | |
| 136 | V | A | -0.3138 | |
| 137 | K | A | -1.3132 | |
| 138 | P | A | -0.8791 | |
| 139 | G | A | -1.4303 | |
| 140 | A | A | -1.2243 | |
| 141 | S | A | -1.5439 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | -1.8745 | |
| 144 | L | A | 0.0000 | |
| 145 | S | A | -0.6822 | |
| 146 | C | A | 0.0000 | |
| 147 | T | A | -0.8616 | |
| 148 | A | A | 0.0000 | |
| 149 | S | A | -1.0183 | |
| 150 | G | A | -0.9899 | |
| 151 | F | A | -1.1140 | |
| 152 | N | A | -1.8032 | |
| 153 | I | A | 0.0000 | |
| 154 | K | A | -2.2691 | |
| 155 | D | A | -2.3458 | |
| 156 | T | A | 0.0000 | |
| 157 | Y | A | -0.0889 | |
| 158 | I | A | 0.0000 | |
| 159 | H | A | 0.0000 | |
| 160 | W | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | Q | A | -1.0802 | |
| 164 | R | A | -1.7248 | |
| 165 | P | A | -1.4243 | |
| 166 | E | A | -2.4614 | |
| 167 | Q | A | -2.5139 | |
| 168 | G | A | -1.5444 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -1.4475 | |
| 171 | W | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | R | A | -0.6371 | |
| 175 | I | A | 0.0000 | |
| 176 | Y | A | -0.4859 | |
| 177 | P | A | 0.0000 | |
| 178 | T | A | -1.2430 | |
| 179 | N | A | -1.2889 | |
| 180 | G | A | -0.7732 | |
| 181 | Y | A | -0.1276 | |
| 182 | T | A | -0.7113 | |
| 183 | R | A | -1.7698 | |
| 184 | Y | A | -1.8166 | |
| 185 | D | A | 0.0000 | |
| 186 | P | A | -2.0658 | |
| 187 | K | A | -2.6920 | |
| 188 | F | A | 0.0000 | |
| 189 | Q | A | -3.2491 | |
| 190 | D | A | -3.6034 | |
| 191 | K | A | -3.4934 | |
| 192 | A | A | 0.0000 | |
| 193 | T | A | -1.4109 | |
| 194 | I | A | 0.0000 | |
| 195 | T | A | -0.1887 | |
| 196 | A | A | -0.6494 | |
| 197 | D | A | -0.9961 | |
| 198 | T | A | -0.9705 | |
| 199 | S | A | -0.7781 | |
| 200 | S | A | -0.6916 | |
| 201 | N | A | -0.9282 | |
| 202 | T | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | Y | A | -0.3894 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.3990 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | -2.1751 | |
| 209 | R | A | -2.7278 | |
| 210 | L | A | 0.0000 | |
| 211 | T | A | -1.1944 | |
| 212 | S | A | -0.7686 | |
| 213 | E | A | -1.8141 | |
| 214 | D | A | -1.3524 | |
| 215 | T | A | -0.2379 | |
| 216 | A | A | 0.0000 | |
| 217 | V | A | 0.1143 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | R | A | 0.0000 | |
| 223 | W | A | 0.0364 | |
| 224 | G | A | -0.1118 | |
| 225 | G | A | -1.0394 | |
| 226 | D | A | -1.8916 | |
| 227 | G | A | -1.0521 | |
| 228 | F | A | 0.0000 | |
| 229 | Y | A | 1.1771 | |
| 230 | A | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | G | A | -1.1968 | |
| 235 | G | A | -1.5483 | |
| 236 | G | A | -1.9644 | |
| 237 | G | A | -1.6440 | |
| 238 | S | A | -1.4173 | |
| 239 | G | A | -1.7427 | |
| 240 | G | A | -1.7543 | |
| 241 | G | A | -1.3375 | |
| 242 | G | A | -1.8079 | |
| 243 | S | A | -1.3633 | |
| 244 | G | A | -1.3802 | |
| 245 | G | A | -1.1960 | |
| 246 | G | A | -0.8079 | |
| 247 | G | A | 0.0000 | |
| 248 | S | A | -0.3217 | |
| 249 | V | A | 0.0000 | |
| 250 | F | A | 0.2760 | |
| 251 | G | A | -0.2053 | |
| 252 | G | A | 0.3116 | |
| 253 | I | A | 0.9340 | |
| 254 | G | A | -0.0488 | |
| 255 | D | A | -0.9141 | |
| 256 | P | A | 0.1655 | |
| 257 | V | A | 0.6671 | |
| 258 | T | A | -0.1423 | |
| 259 | C | A | 0.0000 | |
| 260 | L | A | 0.1022 | |
| 261 | K | A | -0.9978 | |
| 262 | S | A | -0.4791 | |
| 263 | G | A | -0.8369 | |
| 264 | A | A | 0.0000 | |
| 265 | I | A | 0.2434 | |
| 266 | C | A | 0.4781 | |
| 267 | H | A | 0.3981 | |
| 268 | P | A | 0.3276 | |
| 269 | V | A | 1.4694 | |
| 270 | F | A | 0.8155 | |
| 271 | C | A | -0.6551 | |
| 272 | P | A | -1.4705 | |
| 273 | R | A | -2.8944 | |
| 274 | R | A | -3.3440 | |
| 275 | Y | A | -2.4705 | |
| 276 | K | A | -2.7821 | |
| 277 | Q | A | -1.5823 | |
| 278 | I | A | -0.2722 | |
| 279 | G | A | -0.4479 | |
| 280 | T | A | -0.7173 | |
| 281 | C | A | -0.2629 | |
| 282 | G | A | -0.5634 | |
| 283 | L | A | -0.1004 | |
| 284 | P | A | -0.4892 | |
| 285 | G | A | -0.4586 | |
| 286 | T | A | -0.1579 | |
| 287 | K | A | -0.3996 | |
| 288 | C | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | K | A | -1.7596 | |
| 291 | K | A | -2.6251 | |
| 292 | P | A | -1.7777 |
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