| Chain sequence(s) |
A: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQC
B: QTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLVCQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQC 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 (00:10:46)
[INFO] Main: Simulation completed successfully. (00:10:48)
|
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 | |
| 5 | Q | A | -1.3757 | |
| 6 | T | A | -0.9070 | |
| 7 | M | A | -1.1493 | |
| 8 | K | A | -2.0661 | |
| 9 | G | A | -1.3639 | |
| 10 | L | A | 0.0000 | |
| 11 | D | A | -1.8065 | |
| 12 | I | A | -1.8688 | |
| 13 | Q | A | -2.5618 | |
| 14 | K | A | -2.7393 | |
| 15 | V | A | 0.0000 | |
| 16 | A | A | -1.2351 | |
| 17 | G | A | -0.9364 | |
| 18 | T | A | -0.5178 | |
| 19 | W | A | 0.0000 | |
| 20 | Y | A | -0.4794 | |
| 21 | S | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | M | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | 0.0000 | |
| 28 | D | A | -1.3084 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -0.5858 | |
| 31 | L | A | -0.4399 | |
| 32 | L | A | 0.0000 | |
| 33 | D | A | -0.6325 | |
| 34 | A | A | -0.5942 | |
| 35 | Q | A | -0.7728 | |
| 36 | S | A | -1.0398 | |
| 37 | A | A | 0.0000 | |
| 38 | P | A | -0.6118 | |
| 39 | L | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | Y | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | E | A | -0.9387 | |
| 45 | E | A | -0.9610 | |
| 46 | L | A | 0.0000 | |
| 47 | K | A | -1.2072 | |
| 48 | P | A | -1.4908 | |
| 49 | T | A | -1.3533 | |
| 50 | P | A | -1.5272 | |
| 51 | E | A | -2.5860 | |
| 52 | G | A | -2.2392 | |
| 53 | D | A | -2.1797 | |
| 54 | L | A | 0.0000 | |
| 55 | E | A | -0.5590 | |
| 56 | I | A | -0.3773 | |
| 57 | L | A | -0.9492 | |
| 58 | L | A | 0.0000 | |
| 59 | Q | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | W | A | -1.8236 | |
| 62 | E | A | -3.0736 | |
| 63 | N | A | -2.8465 | |
| 64 | G | A | -2.3260 | |
| 65 | E | A | -3.0045 | |
| 66 | C | A | -2.0966 | |
| 67 | A | A | -1.8726 | |
| 68 | Q | A | -2.2567 | |
| 69 | K | A | -1.6396 | |
| 70 | K | A | -1.7602 | |
| 71 | I | A | 0.0000 | |
| 72 | I | A | 0.2873 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -3.0047 | |
| 75 | K | A | -2.8796 | |
| 76 | T | A | -1.9771 | |
| 77 | K | A | -1.6457 | |
| 78 | I | A | -0.6661 | |
| 79 | P | A | -1.0563 | |
| 80 | A | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | K | A | -2.4734 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -2.3475 | |
| 86 | A | A | -1.3823 | |
| 87 | L | A | -0.8308 | |
| 88 | N | A | -1.7749 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | -2.0563 | |
| 91 | K | A | -1.8917 | |
| 92 | V | A | 0.0000 | |
| 93 | L | A | -0.1767 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | -0.5418 | |
| 96 | D | A | -0.9320 | |
| 97 | T | A | 0.0000 | |
| 98 | D | A | -1.3328 | |
| 99 | Y | A | -1.8397 | |
| 100 | K | A | -2.5029 | |
| 101 | K | A | -2.2032 | |
| 102 | Y | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | F | A | 0.2017 | |
| 106 | C | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | E | A | -1.5964 | |
| 109 | N | A | -2.2950 | |
| 110 | S | A | -1.3818 | |
| 111 | A | A | -1.4869 | |
| 112 | E | A | -2.9140 | |
| 113 | P | A | -2.5212 | |
| 114 | E | A | -3.1180 | |
| 115 | Q | A | -2.8150 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | C | A | 0.0000 | |
| 120 | Q | A | 0.0000 | |
| 121 | C | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | -1.3125 | |
| 125 | T | A | -1.2962 | |
| 126 | P | A | -1.7693 | |
| 127 | E | A | -2.2679 | |
| 128 | V | A | -1.2852 | |
| 129 | D | A | -2.3008 | |
| 130 | D | A | -3.3811 | |
| 131 | E | A | -3.7080 | |
| 132 | A | A | 0.0000 | |
| 133 | L | A | -2.6624 | |
| 134 | E | A | -4.0861 | |
| 135 | K | A | -3.4237 | |
| 136 | F | A | 0.0000 | |
| 137 | D | A | -3.4573 | |
| 138 | K | A | -3.3545 | |
| 139 | A | A | -2.1502 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -2.4564 | |
| 142 | A | A | -0.9114 | |
| 143 | L | A | -0.3432 | |
| 144 | P | A | -0.6549 | |
| 145 | M | A | -0.5364 | |
| 146 | H | A | -0.5608 | |
| 147 | I | A | 0.0000 | |
| 148 | R | A | -0.5915 | |
| 149 | L | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | N | A | -1.6243 | |
| 153 | P | A | -1.8833 | |
| 154 | T | A | -1.8253 | |
| 155 | Q | A | -2.1582 | |
| 156 | L | A | 0.0000 | |
| 157 | E | A | -3.4940 | |
| 158 | E | A | -3.4442 | |
| 159 | Q | A | -2.8377 | |
| 160 | C | A | 0.0000 | |
| 5 | Q | B | -1.4591 | |
| 6 | T | B | -0.9687 | |
| 7 | M | B | -1.2205 | |
| 8 | K | B | -2.0764 | |
| 9 | G | B | -1.3957 | |
| 10 | L | B | 0.0000 | |
| 11 | D | B | -1.8106 | |
| 12 | I | B | -1.6914 | |
| 13 | Q | B | -2.5940 | |
| 14 | K | B | -2.7726 | |
| 15 | V | B | 0.0000 | |
| 16 | A | B | -1.2956 | |
| 17 | G | B | -0.9761 | |
| 18 | T | B | -0.5329 | |
| 19 | W | B | 0.0000 | |
| 20 | Y | B | -0.6836 | |
| 21 | S | B | 0.0000 | |
| 22 | L | B | 0.0000 | |
| 23 | A | B | 0.0000 | |
| 24 | M | B | 0.0000 | |
| 25 | A | B | 0.0000 | |
| 26 | A | B | 0.0000 | |
| 27 | S | B | 0.0000 | |
| 28 | D | B | -1.1952 | |
| 29 | I | B | -0.3274 | |
| 30 | S | B | -0.4039 | |
| 31 | L | B | -0.3211 | |
| 32 | L | B | 0.0000 | |
| 33 | D | B | -0.5439 | |
| 34 | A | B | -0.4935 | |
| 35 | Q | B | -0.6401 | |
| 36 | S | B | -0.9733 | |
| 37 | A | B | 0.0000 | |
| 38 | P | B | -0.5828 | |
| 39 | L | B | 0.0000 | |
| 40 | R | B | 0.0000 | |
| 41 | V | B | 0.0000 | |
| 42 | Y | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | E | B | -1.0119 | |
| 45 | E | B | -1.1048 | |
| 46 | L | B | 0.0000 | |
| 47 | K | B | -1.4740 | |
| 48 | P | B | -1.4985 | |
| 49 | T | B | -1.3612 | |
| 50 | P | B | -1.5455 | |
| 51 | E | B | -2.5537 | |
| 52 | G | B | -2.2417 | |
| 53 | D | B | -2.0397 | |
| 54 | L | B | 0.0000 | |
| 55 | E | B | -0.6764 | |
| 56 | I | B | 0.0000 | |
| 57 | L | B | -1.1972 | |
| 58 | L | B | 0.0000 | |
| 59 | Q | B | -1.2745 | |
| 60 | K | B | 0.0000 | |
| 61 | W | B | -1.4958 | |
| 62 | E | B | -2.9305 | |
| 63 | N | B | -2.7946 | |
| 64 | G | B | -2.2954 | |
| 65 | E | B | -2.7691 | |
| 66 | C | B | -1.4124 | |
| 67 | A | B | -1.6221 | |
| 68 | Q | B | -2.1665 | |
| 69 | K | B | -1.9626 | |
| 70 | K | B | -1.8947 | |
| 71 | I | B | 0.0000 | |
| 72 | I | B | 0.3361 | |
| 73 | A | B | 0.0000 | |
| 74 | E | B | -2.6294 | |
| 75 | K | B | -2.6393 | |
| 76 | T | B | -1.7947 | |
| 77 | K | B | -1.5292 | |
| 78 | I | B | -0.3903 | |
| 79 | P | B | -0.8787 | |
| 80 | A | B | 0.0000 | |
| 81 | V | B | -0.6324 | |
| 82 | F | B | 0.0000 | |
| 83 | K | B | -2.5596 | |
| 84 | I | B | 0.0000 | |
| 85 | D | B | -2.4541 | |
| 86 | A | B | -1.4887 | |
| 87 | L | B | -0.9221 | |
| 88 | N | B | -1.8413 | |
| 89 | E | B | 0.0000 | |
| 90 | N | B | -2.2616 | |
| 91 | K | B | -1.9895 | |
| 92 | V | B | 0.0000 | |
| 93 | L | B | -0.2155 | |
| 94 | V | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | D | B | -1.0838 | |
| 97 | T | B | 0.0000 | |
| 98 | D | B | -1.4806 | |
| 99 | Y | B | -1.8789 | |
| 100 | K | B | -2.5346 | |
| 101 | K | B | -2.1793 | |
| 102 | Y | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | F | B | 0.0000 | |
| 106 | C | B | 0.0000 | |
| 107 | M | B | 0.0000 | |
| 108 | E | B | -1.6109 | |
| 109 | N | B | -2.2157 | |
| 110 | S | B | -1.3614 | |
| 111 | A | B | -1.4787 | |
| 112 | E | B | -2.9069 | |
| 113 | P | B | -2.5252 | |
| 114 | E | B | -3.1426 | |
| 115 | Q | B | -2.7955 | |
| 116 | S | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | C | B | 0.0000 | |
| 120 | Q | B | 0.0000 | |
| 121 | C | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | V | B | 0.0000 | |
| 124 | R | B | -1.3159 | |
| 125 | T | B | -1.2260 | |
| 126 | P | B | -1.6465 | |
| 127 | E | B | -2.0136 | |
| 128 | V | B | -0.7131 | |
| 129 | D | B | -1.8156 | |
| 130 | D | B | -3.0248 | |
| 131 | E | B | -3.2143 | |
| 132 | A | B | 0.0000 | |
| 133 | L | B | -2.2784 | |
| 134 | E | B | -3.7245 | |
| 135 | K | B | -2.8159 | |
| 136 | F | B | 0.0000 | |
| 137 | D | B | -3.0195 | |
| 138 | K | B | -2.9873 | |
| 139 | A | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | K | B | -2.3168 | |
| 142 | A | B | -1.0180 | |
| 143 | L | B | -0.5348 | |
| 144 | P | B | -0.7875 | |
| 145 | M | B | -0.6081 | |
| 146 | H | B | -0.5536 | |
| 147 | I | B | 0.0000 | |
| 148 | R | B | -0.7308 | |
| 149 | L | B | 0.0000 | |
| 150 | S | B | -0.3093 | |
| 151 | F | B | 0.0000 | |
| 152 | N | B | -1.6100 | |
| 153 | P | B | -1.7054 | |
| 154 | T | B | -1.8595 | |
| 155 | Q | B | -1.9061 | |
| 156 | L | B | 0.0000 | |
| 157 | E | B | -3.1907 | |
| 158 | E | B | -2.9456 | |
| 159 | Q | B | -1.7163 | |
| 160 | C | B | -0.7810 |
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