| Chain sequence(s) |
C: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ
B: ATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIEDSVISLSGDHCIIGRTLVVHEKADDLGKGGNEESTKTGNAGSRLACGVIGIAQ input PDB |
| Selected Chain(s) | C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| 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 minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:03)
[INFO] Main: Simulation completed successfully. (00:08:06)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | A | B | -1.6272 | |
| 2 | T | B | -1.1899 | |
| 3 | K | B | -1.1144 | |
| 4 | A | B | 0.0000 | |
| 5 | V | B | 1.1188 | |
| 6 | C | B | 0.0000 | |
| 7 | V | B | 1.1649 | |
| 8 | L | B | 0.0000 | |
| 9 | K | B | -1.9391 | |
| 10 | G | B | -2.0918 | |
| 11 | D | B | -2.8700 | |
| 12 | G | B | -2.3513 | |
| 13 | P | B | -1.7670 | |
| 14 | V | B | 0.0000 | |
| 15 | Q | B | -1.4022 | |
| 16 | G | B | 0.0000 | |
| 17 | I | B | 1.2156 | |
| 18 | I | B | 0.0000 | |
| 19 | N | B | -0.1756 | |
| 20 | F | B | 0.0000 | |
| 21 | E | B | -2.5756 | |
| 22 | Q | B | 0.0000 | |
| 23 | K | B | -3.3438 | |
| 24 | E | B | -3.2610 | |
| 25 | S | B | -2.2172 | |
| 26 | N | B | -2.4170 | |
| 27 | G | B | -2.1656 | |
| 28 | P | B | -2.0481 | |
| 29 | V | B | 0.0000 | |
| 30 | K | B | -2.8588 | |
| 31 | V | B | 0.0000 | |
| 32 | W | B | -0.7012 | |
| 33 | G | B | 0.0120 | |
| 34 | S | B | -0.8577 | |
| 35 | I | B | 0.0000 | |
| 36 | K | B | -2.2903 | |
| 37 | G | B | -1.5303 | |
| 38 | L | B | 0.0000 | |
| 39 | T | B | -2.3916 | |
| 40 | E | B | -3.0005 | |
| 41 | G | B | -1.2790 | |
| 42 | L | B | -0.1364 | |
| 43 | H | B | 0.0000 | |
| 44 | G | B | 0.0000 | |
| 45 | F | B | 0.0000 | |
| 46 | H | B | 0.0000 | |
| 47 | V | B | 0.0000 | |
| 48 | H | B | 0.0000 | |
| 49 | E | B | -0.0496 | |
| 50 | F | B | 0.7515 | |
| 51 | G | B | -0.2005 | |
| 52 | D | B | -1.0904 | |
| 53 | N | B | -1.5043 | |
| 54 | T | B | -1.0622 | |
| 55 | A | B | -0.7357 | |
| 56 | G | B | -1.5960 | |
| 57 | C | B | -0.9981 | |
| 58 | T | B | -0.6878 | |
| 59 | S | B | -0.5667 | |
| 60 | A | B | 0.0000 | |
| 61 | G | B | -0.1771 | |
| 62 | P | B | -0.4457 | |
| 63 | H | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | N | B | -0.6323 | |
| 66 | P | B | -0.2579 | |
| 67 | L | B | 0.3159 | |
| 68 | S | B | -0.6776 | |
| 69 | R | B | -2.3015 | |
| 70 | K | B | -2.7940 | |
| 71 | H | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | P | B | -1.6776 | |
| 75 | K | B | -2.6780 | |
| 76 | D | B | -2.9779 | |
| 77 | E | B | -3.0920 | |
| 78 | E | B | -2.7925 | |
| 79 | R | B | 0.0000 | |
| 80 | H | B | 0.0000 | |
| 81 | V | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | D | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | N | B | -0.0827 | |
| 87 | V | B | 0.0000 | |
| 88 | T | B | -0.8817 | |
| 89 | A | B | 0.0000 | |
| 90 | D | B | -3.3642 | |
| 91 | K | B | -3.6717 | |
| 92 | D | B | -3.5386 | |
| 93 | G | B | 0.0000 | |
| 94 | V | B | -2.6009 | |
| 95 | A | B | 0.0000 | |
| 96 | D | B | -2.1859 | |
| 97 | V | B | 0.0000 | |
| 98 | S | B | -1.0926 | |
| 99 | I | B | -1.0668 | |
| 100 | E | B | -2.3979 | |
| 101 | D | B | 0.0000 | |
| 102 | S | B | -1.0511 | |
| 103 | V | B | -0.4182 | |
| 104 | I | B | 0.0000 | |
| 105 | S | B | 0.0000 | |
| 106 | L | B | 0.0000 | |
| 107 | S | B | -1.2094 | |
| 108 | G | B | -1.6792 | |
| 109 | D | B | -2.0922 | |
| 110 | H | B | -1.0774 | |
| 111 | C | B | -0.8525 | |
| 112 | I | B | 0.0000 | |
| 113 | I | B | 0.5964 | |
| 114 | G | B | 0.2676 | |
| 115 | R | B | -0.0175 | |
| 116 | T | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | V | B | 0.0000 | |
| 120 | H | B | 0.0000 | |
| 121 | E | B | -1.9104 | |
| 122 | K | B | -1.7708 | |
| 123 | A | B | -0.6486 | |
| 124 | D | B | 0.0000 | |
| 125 | D | B | -1.0793 | |
| 126 | L | B | -1.1298 | |
| 127 | G | B | -2.4325 | |
| 128 | K | B | -2.2740 | |
| 129 | G | B | -2.2468 | |
| 130 | G | B | -2.1507 | |
| 131 | N | B | -2.8825 | |
| 132 | E | B | -3.2576 | |
| 133 | E | B | -2.8970 | |
| 134 | S | B | 0.0000 | |
| 135 | T | B | -3.0674 | |
| 136 | K | B | -3.1765 | |
| 137 | T | B | -1.7423 | |
| 138 | G | B | 0.0000 | |
| 139 | N | B | -1.9306 | |
| 140 | A | B | 0.0000 | |
| 141 | G | B | -1.3785 | |
| 142 | S | B | -1.1496 | |
| 143 | R | B | -1.1673 | |
| 144 | L | B | -1.3932 | |
| 145 | A | B | 0.0000 | |
| 146 | C | B | 0.0000 | |
| 147 | G | B | -0.1459 | |
| 148 | V | B | 0.9158 | |
| 149 | I | B | 0.0000 | |
| 150 | G | B | 1.0560 | |
| 151 | I | B | 1.7899 | |
| 152 | A | B | 0.1571 | |
| 153 | Q | B | -0.8516 | |
| 1 | A | C | -1.5917 | |
| 2 | T | C | -1.1132 | |
| 3 | K | C | -0.8353 | |
| 4 | A | C | 0.0000 | |
| 5 | V | C | 1.1834 | |
| 6 | C | C | 0.0000 | |
| 7 | V | C | 1.2780 | |
| 8 | L | C | 0.0000 | |
| 9 | K | C | -2.2570 | |
| 10 | G | C | -2.4543 | |
| 11 | D | C | -2.6333 | |
| 12 | G | C | -1.7840 | |
| 13 | P | C | -2.1283 | |
| 14 | V | C | 0.0000 | |
| 15 | Q | C | -2.1058 | |
| 16 | G | C | 0.0000 | |
| 17 | I | C | 1.1202 | |
| 18 | I | C | 0.0000 | |
| 19 | N | C | 0.0906 | |
| 20 | F | C | 0.0000 | |
| 21 | E | C | -2.5833 | |
| 22 | Q | C | 0.0000 | |
| 23 | K | C | -3.3116 | |
| 24 | E | C | -3.2720 | |
| 25 | S | C | -2.2175 | |
| 26 | N | C | -2.4271 | |
| 27 | G | C | -2.0866 | |
| 28 | P | C | -1.9677 | |
| 29 | V | C | 0.0000 | |
| 30 | K | C | -2.4720 | |
| 31 | V | C | 0.0000 | |
| 32 | W | C | -0.7225 | |
| 33 | G | C | -0.1689 | |
| 34 | S | C | -1.0468 | |
| 35 | I | C | 0.0000 | |
| 36 | K | C | -2.8042 | |
| 37 | G | C | 0.0000 | |
| 38 | L | C | 0.0000 | |
| 39 | T | C | -1.6473 | |
| 40 | E | C | -1.8066 | |
| 41 | G | C | -0.7155 | |
| 42 | L | C | 0.1592 | |
| 43 | H | C | 0.0000 | |
| 44 | G | C | 0.0000 | |
| 45 | F | C | 0.0000 | |
| 46 | H | C | 0.0000 | |
| 47 | V | C | 0.0000 | |
| 48 | H | C | 0.0000 | |
| 49 | E | C | -0.1231 | |
| 50 | F | C | 0.6611 | |
| 51 | G | C | -0.1220 | |
| 52 | D | C | -0.8113 | |
| 53 | N | C | -0.9232 | |
| 54 | T | C | -0.7430 | |
| 55 | A | C | -0.5096 | |
| 56 | G | C | -1.2818 | |
| 57 | C | C | -0.7985 | |
| 58 | T | C | -0.3987 | |
| 59 | S | C | -0.4229 | |
| 60 | A | C | 0.0000 | |
| 61 | G | C | -0.1750 | |
| 62 | P | C | -0.4647 | |
| 63 | H | C | 0.0000 | |
| 64 | F | C | 0.0000 | |
| 65 | N | C | -0.6283 | |
| 66 | P | C | -0.3711 | |
| 67 | L | C | -0.1412 | |
| 68 | S | C | -0.7226 | |
| 69 | R | C | -2.1472 | |
| 70 | K | C | -3.0754 | |
| 71 | H | C | 0.0000 | |
| 72 | G | C | 0.0000 | |
| 73 | G | C | 0.0000 | |
| 74 | P | C | -1.8399 | |
| 75 | K | C | -2.8576 | |
| 76 | D | C | -3.4154 | |
| 77 | E | C | -3.8329 | |
| 78 | E | C | -3.8694 | |
| 79 | R | C | 0.0000 | |
| 80 | H | C | 0.0000 | |
| 81 | V | C | 0.0000 | |
| 82 | G | C | 0.0000 | |
| 83 | D | C | 0.0000 | |
| 84 | L | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | N | C | -0.0907 | |
| 87 | V | C | 0.0000 | |
| 88 | T | C | -0.7639 | |
| 89 | A | C | 0.0000 | |
| 90 | D | C | -3.3797 | |
| 91 | K | C | -3.4802 | |
| 92 | D | C | -3.6583 | |
| 93 | G | C | 0.0000 | |
| 94 | V | C | 0.0000 | |
| 95 | A | C | 0.0000 | |
| 96 | D | C | -2.2719 | |
| 97 | V | C | 0.0000 | |
| 98 | S | C | -1.0566 | |
| 99 | I | C | -1.1438 | |
| 100 | E | C | -2.2693 | |
| 101 | D | C | 0.0000 | |
| 102 | S | C | -1.0176 | |
| 103 | V | C | -0.4897 | |
| 104 | I | C | 0.0000 | |
| 105 | S | C | 0.0000 | |
| 106 | L | C | 0.0000 | |
| 107 | S | C | -1.1412 | |
| 108 | G | C | -1.6664 | |
| 109 | D | C | -2.1701 | |
| 110 | H | C | -1.1552 | |
| 111 | C | C | -0.7955 | |
| 112 | I | C | 0.0000 | |
| 113 | I | C | 0.6629 | |
| 114 | G | C | 0.2636 | |
| 115 | R | C | -0.0962 | |
| 116 | T | C | 0.0000 | |
| 117 | L | C | 0.0000 | |
| 118 | V | C | 0.0000 | |
| 119 | V | C | 0.0000 | |
| 120 | H | C | 0.0000 | |
| 121 | E | C | -1.5138 | |
| 122 | K | C | -1.5016 | |
| 123 | A | C | -0.5703 | |
| 124 | D | C | 0.0000 | |
| 125 | D | C | -1.2710 | |
| 126 | L | C | -1.2143 | |
| 127 | G | C | -2.7187 | |
| 128 | K | C | -2.3387 | |
| 129 | G | C | -2.3681 | |
| 130 | G | C | -2.2411 | |
| 131 | N | C | -3.0623 | |
| 132 | E | C | -3.4307 | |
| 133 | E | C | -3.2200 | |
| 134 | S | C | 0.0000 | |
| 135 | T | C | -3.3288 | |
| 136 | K | C | -3.2265 | |
| 137 | T | C | -1.9151 | |
| 138 | G | C | 0.0000 | |
| 139 | N | C | -2.1939 | |
| 140 | A | C | 0.0000 | |
| 141 | G | C | -1.4127 | |
| 142 | S | C | -1.0904 | |
| 143 | R | C | -1.1107 | |
| 144 | L | C | -1.3435 | |
| 145 | A | C | 0.0000 | |
| 146 | C | C | 0.0000 | |
| 147 | G | C | 0.0000 | |
| 148 | V | C | 1.1124 | |
| 149 | I | C | 0.0000 | |
| 150 | G | C | 1.2701 | |
| 151 | I | C | 1.8555 | |
| 152 | A | C | 0.2327 | |
| 153 | Q | C | -0.7643 |
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