| Chain sequence(s) |
X: ENLYFQGGGGSGGGGS
B: EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS D: VKLQESGPGLVAPSQSLSVTCTVSGVSLPDYGVSWIRQPPRKGLEWLGVIWGSETTYYNSALKSRLTIIKDNSKSQVFLKMNSLQTDDTAIYYCAKHYYYGGSYAMDYWGQGTSVTVSS H: QVQLQQSGPGLVKPSQTLSLTCAISGDSVSSNSAAWNWIRQSPSRGLEWLGRTYYRSKWYNDYAVSVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCAREVTGDLEDAFDIWGQGTMVTVSS input PDB |
| Selected Chain(s) | X,B,D,H |
| 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 all 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 (00:02:40)
[INFO] Main: Simulation completed successfully. (00:02:43)
|
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 | |
| 118 | E | X | -1.9701 | |
| 119 | N | X | -1.2019 | |
| 120 | L | X | 1.1738 | |
| 121 | Y | X | 1.8039 | |
| 122 | F | X | 1.1592 | |
| 123 | Q | X | -0.7906 | |
| 124 | G | X | -0.9983 | |
| 125 | G | X | -0.6605 | |
| 126 | G | X | -0.8591 | |
| 127 | G | X | -0.7169 | |
| 128 | S | X | -0.6786 | |
| 129 | G | X | -1.0002 | |
| 130 | G | X | -1.0722 | |
| 131 | G | X | -1.0745 | |
| 132 | G | X | -0.9028 | |
| 133 | S | X | -0.5391 | |
| 2 | E | B | -2.6181 | |
| 3 | V | B | 0.0000 | |
| 4 | Q | B | -1.5205 | |
| 5 | L | B | 0.0000 | |
| 6 | V | B | 1.1767 | |
| 7 | E | B | 0.0000 | |
| 8 | S | B | -0.5974 | |
| 9 | G | B | -1.2208 | |
| 10 | G | B | -0.8052 | |
| 11 | G | B | -0.0193 | |
| 12 | L | B | 1.0211 | |
| 13 | V | B | -0.0347 | |
| 14 | Q | B | -1.3340 | |
| 15 | P | B | -1.5426 | |
| 16 | G | B | -1.3803 | |
| 17 | G | B | -0.8825 | |
| 18 | S | B | -1.0934 | |
| 19 | L | B | -1.0304 | |
| 20 | R | B | -2.2822 | |
| 21 | L | B | 0.0000 | |
| 22 | S | B | -0.3886 | |
| 23 | C | B | 0.0000 | |
| 24 | A | B | -0.0940 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -1.3293 | |
| 27 | G | B | -2.1569 | |
| 28 | R | B | -2.6085 | |
| 29 | T | B | -1.7017 | |
| 30 | F | B | 0.0000 | |
| 31 | S | B | -0.6469 | |
| 32 | Y | B | -0.0446 | |
| 33 | N | B | 0.0000 | |
| 34 | P | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -1.7914 | |
| 41 | A | B | -1.5647 | |
| 42 | P | B | -1.1982 | |
| 43 | G | B | -1.6817 | |
| 44 | K | B | -2.7064 | |
| 45 | G | B | -2.3992 | |
| 46 | R | B | -2.5512 | |
| 47 | E | B | -2.2200 | |
| 48 | L | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | A | B | 0.0000 | |
| 51 | A | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | R | B | -1.1542 | |
| 55 | T | B | -0.8043 | |
| 56 | G | B | -0.9502 | |
| 57 | G | B | -0.9803 | |
| 58 | S | B | -0.7490 | |
| 59 | T | B | -0.2193 | |
| 60 | Y | B | 0.1025 | |
| 61 | Y | B | -0.7690 | |
| 62 | P | B | -1.4987 | |
| 63 | D | B | -2.5575 | |
| 64 | S | B | -1.6404 | |
| 65 | V | B | 0.0000 | |
| 66 | E | B | -2.6626 | |
| 67 | G | B | -1.7377 | |
| 68 | R | B | 0.0000 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.8663 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.5232 | |
| 73 | R | B | -0.9188 | |
| 74 | D | B | -1.3088 | |
| 75 | N | B | -1.3891 | |
| 76 | A | B | -1.2372 | |
| 77 | K | B | -2.2864 | |
| 78 | R | B | -1.7080 | |
| 79 | M | B | -0.7778 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.6390 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.5934 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.2911 | |
| 86 | S | B | -1.1435 | |
| 87 | L | B | 0.0000 | |
| 88 | R | B | -2.2860 | |
| 89 | A | B | -1.7566 | |
| 90 | E | B | -2.2311 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.8480 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | -0.5959 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | 0.0000 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | G | B | -0.6410 | |
| 102 | V | B | -0.6050 | |
| 103 | R | B | -2.2451 | |
| 104 | A | B | -2.0273 | |
| 105 | E | B | -2.7877 | |
| 106 | D | B | -2.3992 | |
| 107 | G | B | -2.0692 | |
| 108 | R | B | -2.3450 | |
| 109 | V | B | -0.6265 | |
| 110 | R | B | 0.0000 | |
| 111 | T | B | 0.5261 | |
| 112 | L | B | 1.2681 | |
| 113 | P | B | -0.0700 | |
| 114 | S | B | 0.0922 | |
| 115 | E | B | -0.1069 | |
| 116 | Y | B | 0.0000 | |
| 117 | T | B | 0.1536 | |
| 118 | F | B | -0.0787 | |
| 119 | W | B | 0.2740 | |
| 120 | G | B | -0.0707 | |
| 121 | Q | B | -0.8657 | |
| 122 | G | B | -0.6108 | |
| 123 | T | B | -0.7810 | |
| 124 | Q | B | -1.0379 | |
| 125 | V | B | 0.0000 | |
| 126 | T | B | -0.3026 | |
| 127 | V | B | 0.0000 | |
| 128 | S | B | -0.8076 | |
| 129 | S | B | -0.7266 | |
| 162 | V | D | 0.9418 | |
| 163 | K | D | -1.0303 | |
| 164 | L | D | 0.0000 | |
| 165 | Q | D | -1.4039 | |
| 166 | E | D | 0.0000 | |
| 167 | S | D | -0.5364 | |
| 168 | G | D | -0.3382 | |
| 169 | P | D | -0.0416 | |
| 170 | G | D | 0.1488 | |
| 171 | L | D | 1.1527 | |
| 172 | V | D | 0.0000 | |
| 173 | A | D | -0.3939 | |
| 174 | P | D | -1.2236 | |
| 175 | S | D | -1.4541 | |
| 176 | Q | D | -1.8435 | |
| 177 | S | D | -1.6761 | |
| 178 | L | D | 0.0000 | |
| 179 | S | D | -0.7541 | |
| 180 | V | D | 0.0000 | |
| 181 | T | D | -0.2169 | |
| 182 | C | D | 0.0000 | |
| 183 | T | D | -0.9784 | |
| 184 | V | D | 0.0000 | |
| 185 | S | D | -0.7242 | |
| 186 | G | D | -0.3048 | |
| 187 | V | D | 0.0000 | |
| 188 | S | D | -1.0372 | |
| 189 | L | D | 0.0000 | |
| 190 | P | D | -1.5104 | |
| 191 | D | D | -1.7685 | |
| 192 | Y | D | 0.1721 | |
| 193 | G | D | 0.0000 | |
| 194 | V | D | 0.0000 | |
| 195 | S | D | 0.0000 | |
| 196 | W | D | 0.0000 | |
| 197 | I | D | 0.0000 | |
| 198 | R | D | -0.0474 | |
| 199 | Q | D | -0.7328 | |
| 200 | P | D | 0.0000 | |
| 201 | P | D | -1.8217 | |
| 202 | R | D | -2.7951 | |
| 203 | K | D | -2.7851 | |
| 204 | G | D | -1.3560 | |
| 205 | L | D | 0.0564 | |
| 206 | E | D | -0.5188 | |
| 207 | W | D | 0.1395 | |
| 208 | L | D | 0.0000 | |
| 209 | G | D | 0.0000 | |
| 210 | V | D | 0.0000 | |
| 211 | I | D | 0.0000 | |
| 212 | W | D | -0.2676 | |
| 213 | G | D | -1.0410 | |
| 214 | S | D | -1.3178 | |
| 215 | E | D | -1.7069 | |
| 216 | T | D | -0.4788 | |
| 217 | T | D | 0.4348 | |
| 218 | Y | D | 1.0558 | |
| 219 | Y | D | 0.4024 | |
| 220 | N | D | -0.3250 | |
| 221 | S | D | -0.6317 | |
| 222 | A | D | -0.6108 | |
| 223 | L | D | 0.0000 | |
| 224 | K | D | -1.7808 | |
| 225 | S | D | -1.3962 | |
| 226 | R | D | -1.5740 | |
| 227 | L | D | 0.0000 | |
| 228 | T | D | -0.3195 | |
| 229 | I | D | 0.0000 | |
| 230 | I | D | 0.7462 | |
| 231 | K | D | -0.4192 | |
| 232 | D | D | -1.2549 | |
| 233 | N | D | -1.7080 | |
| 234 | S | D | -1.4802 | |
| 235 | K | D | -2.2062 | |
| 236 | S | D | -1.4851 | |
| 237 | Q | D | -0.9861 | |
| 238 | V | D | 0.0000 | |
| 239 | F | D | 0.2613 | |
| 240 | L | D | 0.0000 | |
| 241 | K | D | -0.8647 | |
| 242 | M | D | 0.0000 | |
| 243 | N | D | -2.1878 | |
| 244 | S | D | -1.5866 | |
| 245 | L | D | 0.0000 | |
| 246 | Q | D | -2.1530 | |
| 247 | T | D | -1.5810 | |
| 248 | D | D | -2.2190 | |
| 249 | D | D | 0.0000 | |
| 250 | T | D | -0.6314 | |
| 251 | A | D | 0.0000 | |
| 252 | I | D | 0.2326 | |
| 253 | Y | D | 0.0000 | |
| 254 | Y | D | 0.0863 | |
| 255 | C | D | 0.0000 | |
| 256 | A | D | 0.0000 | |
| 257 | K | D | 0.0000 | |
| 258 | H | D | 0.0000 | |
| 259 | Y | D | 2.2848 | |
| 260 | Y | D | 2.1261 | |
| 261 | Y | D | 2.2330 | |
| 262 | G | D | 1.0798 | |
| 263 | G | D | 0.3230 | |
| 264 | S | D | 0.5807 | |
| 265 | Y | D | 1.6979 | |
| 266 | A | D | 1.2310 | |
| 267 | M | D | 1.1124 | |
| 268 | D | D | 0.8875 | |
| 269 | Y | D | 1.0311 | |
| 270 | W | D | 0.3948 | |
| 271 | G | D | -0.5578 | |
| 272 | Q | D | -1.3354 | |
| 273 | G | D | -0.6189 | |
| 274 | T | D | -0.4790 | |
| 275 | S | D | -0.0853 | |
| 276 | V | D | 0.0000 | |
| 277 | T | D | 0.1144 | |
| 278 | V | D | 0.0000 | |
| 279 | S | D | -0.3481 | |
| 280 | S | D | -0.1251 | |
| 1 | Q | H | -1.5801 | |
| 2 | V | H | -1.3406 | |
| 3 | Q | H | -1.8468 | |
| 4 | L | H | 0.0000 | |
| 5 | Q | H | -1.7475 | |
| 6 | Q | H | 0.0000 | |
| 7 | S | H | -0.9046 | |
| 8 | G | H | -0.3979 | |
| 9 | P | H | -0.0090 | |
| 10 | G | H | 0.5694 | |
| 11 | L | H | 0.9900 | |
| 12 | V | H | 0.0000 | |
| 13 | K | H | -1.9349 | |
| 14 | P | H | -1.4416 | |
| 15 | S | H | -1.4400 | |
| 16 | Q | H | -1.9985 | |
| 17 | T | H | -1.3711 | |
| 18 | L | H | 0.0000 | |
| 19 | S | H | -0.7102 | |
| 20 | L | H | 0.0000 | |
| 21 | T | H | -0.7509 | |
| 22 | C | H | 0.0000 | |
| 23 | A | H | -1.2075 | |
| 24 | I | H | 0.0000 | |
| 25 | S | H | -1.3506 | |
| 26 | G | H | -1.3660 | |
| 27 | D | H | -1.1778 | |
| 28 | S | H | -0.9660 | |
| 29 | V | H | 0.0000 | |
| 30 | S | H | -0.7834 | |
| 31 | S | H | -0.8328 | |
| 32 | N | H | -1.5451 | |
| 33 | S | H | -1.1227 | |
| 34 | A | H | 0.0000 | |
| 35 | A | H | 0.0000 | |
| 35A | W | H | 0.0000 | |
| 35B | N | H | 0.0000 | |
| 36 | W | H | 0.0000 | |
| 37 | I | H | 0.0000 | |
| 38 | R | H | 0.0000 | |
| 39 | Q | H | -0.0703 | |
| 40 | S | H | 0.0000 | |
| 41 | P | H | -0.7785 | |
| 42 | S | H | -1.3696 | |
| 43 | R | H | -1.8330 | |
| 44 | G | H | -0.6158 | |
| 45 | L | H | 0.7726 | |
| 46 | E | H | 0.0017 | |
| 47 | W | H | 0.4223 | |
| 48 | L | H | 0.0000 | |
| 49 | G | H | 0.0000 | |
| 50 | R | H | -0.6988 | |
| 51 | T | H | 0.0000 | |
| 52 | Y | H | -0.4424 | |
| 52A | Y | H | -0.5389 | |
| 52B | R | H | -1.3162 | |
| 53 | S | H | -1.2257 | |
| 54 | K | H | -1.4096 | |
| 55 | W | H | -0.2660 | |
| 56 | Y | H | 0.0166 | |
| 57 | N | H | -0.7940 | |
| 58 | D | H | -0.9020 | |
| 59 | Y | H | -0.4265 | |
| 60 | A | H | 0.2628 | |
| 61 | V | H | 0.9435 | |
| 62 | S | H | 0.1281 | |
| 63 | V | H | 0.0000 | |
| 64 | K | H | -1.2831 | |
| 65 | S | H | -0.9738 | |
| 66 | R | H | -1.0323 | |
| 67 | I | H | 0.0000 | |
| 68 | T | H | -1.1463 | |
| 69 | I | H | 0.0000 | |
| 70 | N | H | -1.4895 | |
| 71 | P | H | -1.1461 | |
| 72 | D | H | -1.5218 | |
| 73 | T | H | -1.2136 | |
| 74 | S | H | -1.3221 | |
| 75 | K | H | -2.1649 | |
| 76 | N | H | -1.6141 | |
| 77 | Q | H | -1.4812 | |
| 78 | F | H | 0.0000 | |
| 79 | S | H | -0.8428 | |
| 80 | L | H | 0.0000 | |
| 81 | Q | H | -0.8934 | |
| 82 | L | H | 0.0000 | |
| 82A | N | H | -1.1895 | |
| 82B | S | H | -1.2815 | |
| 82C | V | H | 0.0000 | |
| 83 | T | H | -1.4072 | |
| 84 | P | H | -1.4702 | |
| 85 | E | H | -1.9936 | |
| 86 | D | H | 0.0000 | |
| 87 | T | H | -0.3918 | |
| 88 | A | H | 0.0000 | |
| 89 | V | H | 0.6037 | |
| 90 | Y | H | 0.0000 | |
| 91 | Y | H | 0.2542 | |
| 92 | C | H | 0.0000 | |
| 93 | A | H | 0.0000 | |
| 94 | R | H | -0.3237 | |
| 95 | E | H | -0.7623 | |
| 96 | V | H | -1.3208 | |
| 97 | T | H | -1.5623 | |
| 98 | G | H | -2.0936 | |
| 99 | D | H | -2.0703 | |
| 100 | L | H | -0.7780 | |
| 100A | E | H | -2.4565 | |
| 100B | D | H | -2.6901 | |
| 100C | A | H | -1.1729 | |
| 100D | F | H | -0.3563 | |
| 101 | D | H | -0.8624 | |
| 102 | I | H | -0.3883 | |
| 103 | W | H | -0.1397 | |
| 104 | G | H | 0.0000 | |
| 105 | Q | H | -1.4086 | |
| 106 | G | H | -0.4344 | |
| 107 | T | H | -0.0336 | |
| 108 | M | H | 1.0582 | |
| 109 | V | H | 0.0000 | |
| 110 | T | H | 0.0968 | |
| 111 | V | H | 0.0000 | |
| 112 | S | H | -0.5461 | |
| 113 | S | H | -0.6484 |
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