| Chain sequence(s) |
A: DAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSEPSSANVTDTTAPDAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSESTNTTII
B: DAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSEPSSANVTDTTAPDAPTVNDVTSDATQVTGQAEPNSTVKLTFPDGTTATGTADDQGNYTIDIPSNVDLNGGEELQVTATDKDGNTSESTNTTII 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 (00:01:37)
[INFO] Main: Simulation completed successfully. (00:01:39)
|
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 | |
| 29 | D | A | -2.7928 | |
| 30 | A | A | -1.9369 | |
| 31 | P | A | 0.0000 | |
| 32 | T | A | -0.9117 | |
| 33 | V | A | -0.7113 | |
| 34 | N | A | -1.3295 | |
| 35 | D | A | -1.9167 | |
| 36 | V | A | 0.0000 | |
| 37 | T | A | 0.0000 | |
| 38 | S | A | -1.3100 | |
| 39 | D | A | -1.1948 | |
| 40 | A | A | -0.7832 | |
| 41 | T | A | -0.8810 | |
| 42 | Q | A | -1.0636 | |
| 43 | V | A | 0.0000 | |
| 44 | T | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | Q | A | -2.3064 | |
| 47 | A | A | -2.7662 | |
| 48 | E | A | -3.5642 | |
| 49 | P | A | -3.1786 | |
| 50 | N | A | -2.7464 | |
| 51 | S | A | 0.0000 | |
| 52 | T | A | -1.2747 | |
| 53 | V | A | 0.0000 | |
| 54 | K | A | -0.7981 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.2043 | |
| 57 | F | A | 0.0000 | |
| 58 | P | A | -1.8231 | |
| 59 | D | A | -2.3129 | |
| 60 | G | A | -1.4523 | |
| 61 | T | A | -1.0088 | |
| 62 | T | A | -0.6674 | |
| 63 | A | A | -0.5709 | |
| 64 | T | A | -0.6461 | |
| 65 | G | A | -0.8848 | |
| 66 | T | A | -1.2261 | |
| 67 | A | A | 0.0000 | |
| 68 | D | A | -3.3294 | |
| 69 | D | A | -3.5664 | |
| 70 | Q | A | -3.3245 | |
| 71 | G | A | 0.0000 | |
| 72 | N | A | -2.9535 | |
| 73 | Y | A | 0.0000 | |
| 74 | T | A | -1.0840 | |
| 75 | I | A | 0.0000 | |
| 76 | D | A | -1.8887 | |
| 77 | I | A | -1.2318 | |
| 78 | P | A | -1.1968 | |
| 79 | S | A | -1.3328 | |
| 80 | N | A | -1.6864 | |
| 81 | V | A | -1.7596 | |
| 82 | D | A | -2.5253 | |
| 83 | L | A | -1.9143 | |
| 84 | N | A | -1.9966 | |
| 85 | G | A | -2.0872 | |
| 86 | G | A | -1.8088 | |
| 87 | E | A | -2.2285 | |
| 88 | E | A | -2.8692 | |
| 89 | L | A | 0.0000 | |
| 90 | Q | A | -1.8367 | |
| 91 | V | A | 0.0000 | |
| 92 | T | A | -1.1910 | |
| 93 | A | A | 0.0000 | |
| 94 | T | A | -2.5239 | |
| 95 | D | A | -3.4234 | |
| 96 | K | A | -3.4434 | |
| 97 | D | A | -3.4962 | |
| 98 | G | A | -2.7596 | |
| 99 | N | A | -3.0325 | |
| 100 | T | A | -2.2246 | |
| 101 | S | A | -2.2524 | |
| 102 | E | A | -2.5657 | |
| 103 | P | A | -1.7076 | |
| 104 | S | A | -1.0495 | |
| 105 | S | A | -1.4535 | |
| 106 | A | A | -1.7940 | |
| 107 | N | A | -2.7763 | |
| 108 | V | A | 0.0000 | |
| 109 | T | A | -1.7846 | |
| 110 | D | A | -1.9447 | |
| 111 | T | A | 0.0000 | |
| 112 | T | A | -1.2675 | |
| 113 | A | A | -1.9896 | |
| 114 | P | A | -1.7338 | |
| 115 | D | A | -2.5456 | |
| 116 | A | A | -1.8951 | |
| 117 | P | A | 0.0000 | |
| 118 | T | A | -1.1981 | |
| 119 | V | A | -1.0795 | |
| 120 | N | A | -2.0093 | |
| 121 | D | A | -1.9216 | |
| 122 | V | A | 0.0000 | |
| 123 | T | A | -0.5957 | |
| 124 | S | A | -0.9685 | |
| 125 | D | A | -2.0307 | |
| 126 | A | A | -1.6090 | |
| 127 | T | A | -1.5835 | |
| 128 | Q | A | -1.8828 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | -1.2964 | |
| 131 | G | A | 0.0000 | |
| 132 | Q | A | -1.8265 | |
| 133 | A | A | -2.3944 | |
| 134 | E | A | -3.2975 | |
| 135 | P | A | -3.2300 | |
| 136 | N | A | -3.2928 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -1.3150 | |
| 139 | V | A | 0.0000 | |
| 140 | K | A | -0.6245 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | -0.5887 | |
| 143 | F | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | D | A | -2.1415 | |
| 146 | G | A | -1.4415 | |
| 147 | T | A | -0.6251 | |
| 148 | T | A | -0.5005 | |
| 149 | A | A | -0.5938 | |
| 150 | T | A | -0.6522 | |
| 151 | G | A | -0.9270 | |
| 152 | T | A | -1.3598 | |
| 153 | A | A | 0.0000 | |
| 154 | D | A | -3.5990 | |
| 155 | D | A | -3.7745 | |
| 156 | Q | A | -3.2656 | |
| 157 | G | A | 0.0000 | |
| 158 | N | A | -2.3851 | |
| 159 | Y | A | 0.0000 | |
| 160 | T | A | -1.0934 | |
| 161 | I | A | 0.0000 | |
| 162 | D | A | -2.2464 | |
| 163 | I | A | 0.0000 | |
| 164 | P | A | -1.4030 | |
| 165 | S | A | -1.6703 | |
| 166 | N | A | -1.7384 | |
| 167 | V | A | -1.4820 | |
| 168 | D | A | -2.4050 | |
| 169 | L | A | 0.0000 | |
| 170 | N | A | -0.9405 | |
| 171 | G | A | 0.0436 | |
| 172 | G | A | -0.0362 | |
| 173 | E | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | Q | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | T | A | -1.0044 | |
| 179 | A | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | D | A | -2.4026 | |
| 182 | K | A | -3.1047 | |
| 183 | D | A | -3.0639 | |
| 184 | G | A | -2.0660 | |
| 185 | N | A | -1.7544 | |
| 186 | T | A | -1.7309 | |
| 187 | S | A | 0.0000 | |
| 188 | E | A | -2.7417 | |
| 189 | S | A | -1.6178 | |
| 190 | T | A | -0.9376 | |
| 191 | N | A | -0.6760 | |
| 192 | T | A | -0.6284 | |
| 193 | T | A | -0.1618 | |
| 194 | I | A | 0.0000 | |
| 195 | I | A | 1.2422 | |
| 29 | D | B | -2.7616 | |
| 30 | A | B | -1.8468 | |
| 31 | P | B | 0.0000 | |
| 32 | T | B | -0.6558 | |
| 33 | V | B | -0.4240 | |
| 34 | N | B | -1.1606 | |
| 35 | D | B | -1.8489 | |
| 36 | V | B | 0.0000 | |
| 37 | T | B | 0.0000 | |
| 38 | S | B | -1.2350 | |
| 39 | D | B | -1.0672 | |
| 40 | A | B | -0.9361 | |
| 41 | T | B | -1.0114 | |
| 42 | Q | B | -1.2213 | |
| 43 | V | B | 0.0000 | |
| 44 | T | B | 0.0000 | |
| 45 | G | B | 0.0000 | |
| 46 | Q | B | -1.9028 | |
| 47 | A | B | -2.5340 | |
| 48 | E | B | -3.6591 | |
| 49 | P | B | -3.4356 | |
| 50 | N | B | -3.4285 | |
| 51 | S | B | 0.0000 | |
| 52 | T | B | -1.4804 | |
| 53 | V | B | 0.0000 | |
| 54 | K | B | -0.6926 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | -1.0032 | |
| 57 | F | B | 0.0000 | |
| 58 | P | B | -1.6918 | |
| 59 | D | B | -2.1644 | |
| 60 | G | B | -1.4474 | |
| 61 | T | B | -1.0057 | |
| 62 | T | B | -0.6043 | |
| 63 | A | B | -0.5595 | |
| 64 | T | B | -0.6330 | |
| 65 | G | B | -0.9761 | |
| 66 | T | B | -1.4869 | |
| 67 | A | B | 0.0000 | |
| 68 | D | B | -3.6557 | |
| 69 | D | B | -3.8237 | |
| 70 | Q | B | -3.3464 | |
| 71 | G | B | 0.0000 | |
| 72 | N | B | -2.8624 | |
| 73 | Y | B | 0.0000 | |
| 74 | T | B | -1.0769 | |
| 75 | I | B | 0.0000 | |
| 76 | D | B | -1.9574 | |
| 77 | I | B | -1.3466 | |
| 78 | P | B | -1.2655 | |
| 79 | S | B | -1.4262 | |
| 80 | N | B | -1.7613 | |
| 81 | V | B | -1.8057 | |
| 82 | D | B | -2.4858 | |
| 83 | L | B | 0.0000 | |
| 84 | N | B | -2.0772 | |
| 85 | G | B | -2.0587 | |
| 86 | G | B | -1.6693 | |
| 87 | E | B | -2.1455 | |
| 88 | E | B | -2.2225 | |
| 89 | L | B | 0.0000 | |
| 90 | Q | B | -1.3153 | |
| 91 | V | B | 0.0000 | |
| 92 | T | B | -1.1070 | |
| 93 | A | B | 0.0000 | |
| 94 | T | B | -2.6426 | |
| 95 | D | B | -3.5982 | |
| 96 | K | B | -3.5773 | |
| 97 | D | B | -3.5214 | |
| 98 | G | B | -2.7709 | |
| 99 | N | B | -2.8631 | |
| 100 | T | B | -2.2090 | |
| 101 | S | B | 0.0000 | |
| 102 | E | B | -2.4983 | |
| 103 | P | B | -1.5828 | |
| 104 | S | B | -0.8973 | |
| 105 | S | B | -1.0029 | |
| 106 | A | B | -1.4996 | |
| 107 | N | B | -2.4751 | |
| 108 | V | B | 0.0000 | |
| 109 | T | B | -1.7892 | |
| 110 | D | B | -1.9709 | |
| 111 | T | B | 0.0000 | |
| 112 | T | B | -1.2669 | |
| 113 | A | B | -1.9934 | |
| 114 | P | B | 0.0000 | |
| 115 | D | B | -2.5552 | |
| 116 | A | B | -2.0428 | |
| 117 | P | B | 0.0000 | |
| 118 | T | B | -1.5178 | |
| 119 | V | B | -1.3660 | |
| 120 | N | B | -2.2309 | |
| 121 | D | B | -2.0016 | |
| 122 | V | B | 0.0000 | |
| 123 | T | B | -0.6107 | |
| 124 | S | B | -0.9107 | |
| 125 | D | B | -2.0100 | |
| 126 | A | B | -1.5859 | |
| 127 | T | B | -1.5303 | |
| 128 | Q | B | -1.8203 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.4902 | |
| 131 | G | B | 0.0000 | |
| 132 | Q | B | -2.3608 | |
| 133 | A | B | -2.6738 | |
| 134 | E | B | -3.4402 | |
| 135 | P | B | -3.1653 | |
| 136 | N | B | -3.0566 | |
| 137 | S | B | 0.0000 | |
| 138 | T | B | -1.2857 | |
| 139 | V | B | 0.0000 | |
| 140 | K | B | -0.6694 | |
| 141 | L | B | 0.0000 | |
| 142 | T | B | -0.6744 | |
| 143 | F | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | D | B | -2.1503 | |
| 146 | G | B | -1.4287 | |
| 147 | T | B | -0.6170 | |
| 148 | T | B | -0.4668 | |
| 149 | A | B | -0.5639 | |
| 150 | T | B | -0.6325 | |
| 151 | G | B | -0.9158 | |
| 152 | T | B | -1.3754 | |
| 153 | A | B | 0.0000 | |
| 154 | D | B | -3.3294 | |
| 155 | D | B | -3.5639 | |
| 156 | Q | B | -3.2453 | |
| 157 | G | B | 0.0000 | |
| 158 | N | B | -2.7939 | |
| 159 | Y | B | 0.0000 | |
| 160 | T | B | -1.1339 | |
| 161 | I | B | 0.0000 | |
| 162 | D | B | -2.1541 | |
| 163 | I | B | -1.4853 | |
| 164 | P | B | -1.2747 | |
| 165 | S | B | -1.3317 | |
| 166 | N | B | -1.7077 | |
| 167 | V | B | -1.5624 | |
| 168 | D | B | -2.3975 | |
| 169 | L | B | 0.0000 | |
| 170 | N | B | -1.0400 | |
| 171 | G | B | 0.0088 | |
| 172 | G | B | 0.0000 | |
| 173 | E | B | 0.0000 | |
| 174 | E | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | Q | B | 0.0000 | |
| 177 | V | B | 0.0000 | |
| 178 | T | B | -1.0915 | |
| 179 | A | B | 0.0000 | |
| 180 | T | B | -1.9184 | |
| 181 | D | B | -2.3818 | |
| 182 | K | B | -3.0691 | |
| 183 | D | B | -3.0513 | |
| 184 | G | B | -2.0433 | |
| 185 | N | B | -1.7422 | |
| 186 | T | B | -1.7379 | |
| 187 | S | B | 0.0000 | |
| 188 | E | B | -2.8715 | |
| 189 | S | B | -1.8041 | |
| 190 | T | B | -1.2855 | |
| 191 | N | B | -1.5387 | |
| 192 | T | B | -0.9782 | |
| 193 | T | B | -0.2787 | |
| 194 | I | B | 0.0000 | |
| 195 | I | B | 1.2458 |
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