| Chain sequence(s) |
A: MVIGRVVNEMEVGVPADDIWAVYSSPELPRLFVQLMPNVYKKIDILQGDGTVGTVLHIELADGIPEPRTWKEKFIKIDHQHREKVVRQIEGGFLDMGFRVFDVIFKIIEKDACSCIIRSTTAFELDEKFENNANLITAGNLWGAAKAISNYVIQNKS
B: MVIGRVVNEMEVGVPADDIWAVYSSPELPRLFVQLMPNVYKKIDILQGDGTVGTVLHIELADGIPEPRTWKEKFIKIDHQHREKVVRQIEGGFLDMGFRVFDVIFKIIEKDACSCIIRSTTAFELDEKFENNANLITAGNLWGAAKAISNYVIQNK 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] (00:00:00)
[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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:40)
[INFO] Main: Simulation completed successfully. (00:04:42)
|
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 | M | A | -0.6660 | |
| 2 | V | A | 0.0000 | |
| 3 | I | A | -0.3876 | |
| 4 | G | A | 0.0000 | |
| 5 | R | A | -1.3763 | |
| 6 | V | A | 0.0000 | |
| 7 | V | A | -0.6236 | |
| 8 | N | A | 0.0000 | |
| 9 | E | A | -0.8690 | |
| 10 | M | A | 0.0000 | |
| 11 | E | A | -2.1862 | |
| 12 | V | A | 0.0000 | |
| 13 | G | A | -0.8946 | |
| 14 | V | A | 0.0000 | |
| 15 | P | A | -1.4635 | |
| 16 | A | A | 0.0000 | |
| 17 | D | A | -2.3170 | |
| 18 | D | A | -1.1990 | |
| 19 | I | A | 0.0000 | |
| 20 | W | A | 0.0000 | |
| 21 | A | A | -0.7527 | |
| 22 | V | A | -0.4179 | |
| 23 | Y | A | 0.0000 | |
| 24 | S | A | -0.5660 | |
| 25 | S | A | -0.6375 | |
| 26 | P | A | -1.5985 | |
| 27 | E | A | -2.3376 | |
| 28 | L | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | R | A | -2.6043 | |
| 31 | L | A | -1.0738 | |
| 32 | F | A | -0.6677 | |
| 33 | V | A | -1.0661 | |
| 34 | Q | A | -1.3933 | |
| 35 | L | A | -0.2461 | |
| 36 | M | A | 0.0000 | |
| 37 | P | A | -0.9941 | |
| 38 | N | A | -1.3070 | |
| 39 | V | A | -0.5068 | |
| 40 | Y | A | -1.1148 | |
| 41 | K | A | -2.1606 | |
| 42 | K | A | -2.7592 | |
| 43 | I | A | -1.6922 | |
| 44 | D | A | -1.8714 | |
| 45 | I | A | -0.2310 | |
| 46 | L | A | -0.0041 | |
| 47 | Q | A | -1.3327 | |
| 48 | G | A | -1.3545 | |
| 49 | D | A | -1.8423 | |
| 50 | G | A | -1.1524 | |
| 51 | T | A | 0.0015 | |
| 52 | V | A | 1.2504 | |
| 53 | G | A | -0.0069 | |
| 54 | T | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | H | A | -1.4071 | |
| 58 | I | A | 0.0000 | |
| 59 | E | A | -1.6946 | |
| 60 | L | A | -1.3864 | |
| 61 | A | A | -1.6899 | |
| 62 | D | A | -2.4144 | |
| 63 | G | A | -1.5632 | |
| 64 | I | A | -0.9885 | |
| 65 | P | A | -1.2537 | |
| 66 | E | A | -2.0301 | |
| 67 | P | A | -1.3381 | |
| 68 | R | A | -1.3210 | |
| 69 | T | A | -1.1711 | |
| 70 | W | A | -1.0614 | |
| 71 | K | A | -1.4597 | |
| 72 | E | A | -0.9701 | |
| 73 | K | A | -0.8635 | |
| 74 | F | A | 0.0000 | |
| 75 | I | A | 0.4295 | |
| 76 | K | A | -0.1663 | |
| 77 | I | A | -0.2652 | |
| 78 | D | A | -1.3822 | |
| 79 | H | A | -2.3467 | |
| 80 | Q | A | -2.3093 | |
| 81 | H | A | -2.3061 | |
| 82 | R | A | -2.1204 | |
| 83 | E | A | -1.3681 | |
| 84 | K | A | 0.0000 | |
| 85 | V | A | 0.0345 | |
| 86 | V | A | 0.0000 | |
| 87 | R | A | -0.9630 | |
| 88 | Q | A | 0.0000 | |
| 89 | I | A | -0.8541 | |
| 90 | E | A | -2.1536 | |
| 91 | G | A | -1.5231 | |
| 92 | G | A | 0.0000 | |
| 93 | F | A | -0.8276 | |
| 94 | L | A | -1.1593 | |
| 95 | D | A | -2.0524 | |
| 96 | M | A | -0.8784 | |
| 97 | G | A | -1.2060 | |
| 98 | F | A | 0.0000 | |
| 99 | R | A | -1.8826 | |
| 100 | V | A | -0.6781 | |
| 101 | F | A | 0.0000 | |
| 102 | D | A | -0.3779 | |
| 103 | V | A | -0.0844 | |
| 104 | I | A | -0.0256 | |
| 105 | F | A | 0.0000 | |
| 106 | K | A | -0.9359 | |
| 107 | I | A | 0.0000 | |
| 108 | I | A | -1.7871 | |
| 109 | E | A | -3.3105 | |
| 110 | K | A | -3.3319 | |
| 111 | D | A | -2.7355 | |
| 112 | A | A | -1.3835 | |
| 113 | C | A | -0.7559 | |
| 114 | S | A | -1.8660 | |
| 115 | C | A | 0.0000 | |
| 116 | I | A | -1.6313 | |
| 117 | I | A | 0.0000 | |
| 118 | R | A | -0.6768 | |
| 119 | S | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | A | A | -0.5446 | |
| 123 | F | A | 0.0000 | |
| 124 | E | A | -1.2377 | |
| 125 | L | A | 0.0000 | |
| 126 | D | A | -1.3658 | |
| 127 | E | A | -1.6049 | |
| 128 | K | A | -1.8577 | |
| 129 | F | A | -0.4871 | |
| 130 | E | A | -1.3578 | |
| 131 | N | A | -1.6874 | |
| 132 | N | A | -0.8055 | |
| 133 | A | A | 0.0000 | |
| 134 | N | A | -0.7648 | |
| 135 | L | A | -0.1214 | |
| 136 | I | A | 0.0000 | |
| 137 | T | A | -0.5367 | |
| 138 | A | A | 0.0000 | |
| 139 | G | A | -1.0369 | |
| 140 | N | A | -0.5797 | |
| 141 | L | A | -0.3070 | |
| 142 | W | A | 0.0000 | |
| 143 | G | A | -0.7001 | |
| 144 | A | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | K | A | -0.8285 | |
| 147 | A | A | -0.3304 | |
| 148 | I | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | N | A | -0.9925 | |
| 151 | Y | A | -0.4295 | |
| 152 | V | A | 0.0000 | |
| 153 | I | A | -0.7939 | |
| 154 | Q | A | -2.0057 | |
| 155 | N | A | -2.4036 | |
| 156 | K | A | -2.4824 | |
| 157 | S | A | -1.6617 | |
| 1 | M | B | -0.9650 | |
| 2 | V | B | 0.0000 | |
| 3 | I | B | -0.5903 | |
| 4 | G | B | 0.0000 | |
| 5 | R | B | -1.2770 | |
| 6 | V | B | 0.0000 | |
| 7 | V | B | 0.0000 | |
| 8 | N | B | 0.0000 | |
| 9 | E | B | -0.8982 | |
| 10 | M | B | -1.0445 | |
| 11 | E | B | -1.8878 | |
| 12 | V | B | 0.0000 | |
| 13 | G | B | -0.8139 | |
| 14 | V | B | 0.0000 | |
| 15 | P | B | -1.4918 | |
| 16 | A | B | 0.0000 | |
| 17 | D | B | -2.4070 | |
| 18 | D | B | -1.5058 | |
| 19 | I | B | 0.0000 | |
| 20 | W | B | 0.0000 | |
| 21 | A | B | -0.7866 | |
| 22 | V | B | -0.4381 | |
| 23 | Y | B | 0.0000 | |
| 24 | S | B | -0.5161 | |
| 25 | S | B | -0.6093 | |
| 26 | P | B | -1.6020 | |
| 27 | E | B | -2.4030 | |
| 28 | L | B | 0.0000 | |
| 29 | P | B | 0.0000 | |
| 30 | R | B | -2.6024 | |
| 31 | L | B | -1.1832 | |
| 32 | F | B | 0.0000 | |
| 33 | V | B | -1.3031 | |
| 34 | Q | B | -1.5980 | |
| 35 | L | B | -0.3029 | |
| 36 | M | B | 0.0000 | |
| 37 | P | B | -1.1920 | |
| 38 | N | B | -1.5506 | |
| 39 | V | B | -0.7511 | |
| 40 | Y | B | -1.4384 | |
| 41 | K | B | -2.5942 | |
| 42 | K | B | -2.6404 | |
| 43 | I | B | -1.3932 | |
| 44 | D | B | -1.0775 | |
| 45 | I | B | -0.1405 | |
| 46 | L | B | 0.0557 | |
| 47 | Q | B | -1.3233 | |
| 48 | G | B | -1.4107 | |
| 49 | D | B | -1.8652 | |
| 50 | G | B | 0.0000 | |
| 51 | T | B | 0.0271 | |
| 52 | V | B | 1.1976 | |
| 53 | G | B | 0.0174 | |
| 54 | T | B | 0.0000 | |
| 55 | V | B | 0.0000 | |
| 56 | L | B | 0.0000 | |
| 57 | H | B | -1.0598 | |
| 58 | I | B | 0.0000 | |
| 59 | E | B | -1.7539 | |
| 60 | L | B | 0.0000 | |
| 61 | A | B | 0.0000 | |
| 62 | D | B | -2.5181 | |
| 63 | G | B | -1.5388 | |
| 64 | I | B | -0.9185 | |
| 65 | P | B | -1.2583 | |
| 66 | E | B | -2.0597 | |
| 67 | P | B | -1.4044 | |
| 68 | R | B | -1.4446 | |
| 69 | T | B | -1.1905 | |
| 70 | W | B | -1.0302 | |
| 71 | K | B | -1.2611 | |
| 72 | E | B | -0.8944 | |
| 73 | K | B | -0.8250 | |
| 74 | F | B | 0.0000 | |
| 75 | I | B | 0.3457 | |
| 76 | K | B | -0.4361 | |
| 77 | I | B | -0.4951 | |
| 78 | D | B | -1.7179 | |
| 79 | H | B | -2.4978 | |
| 80 | Q | B | -2.3979 | |
| 81 | H | B | -2.4615 | |
| 82 | R | B | -2.3486 | |
| 83 | E | B | -1.7212 | |
| 84 | K | B | 0.0000 | |
| 85 | V | B | 0.0000 | |
| 86 | V | B | 0.0000 | |
| 87 | R | B | -0.8723 | |
| 88 | Q | B | 0.0000 | |
| 89 | I | B | -0.6448 | |
| 90 | E | B | -2.0322 | |
| 91 | G | B | -1.4546 | |
| 92 | G | B | 0.0000 | |
| 93 | F | B | -0.8285 | |
| 94 | L | B | -1.2308 | |
| 95 | D | B | -2.0724 | |
| 96 | M | B | -1.0706 | |
| 97 | G | B | -1.4182 | |
| 98 | F | B | 0.0000 | |
| 99 | R | B | -1.9089 | |
| 100 | V | B | -0.6770 | |
| 101 | F | B | 0.0000 | |
| 102 | D | B | -0.3354 | |
| 103 | V | B | -0.1587 | |
| 104 | I | B | -0.1769 | |
| 105 | F | B | 0.0000 | |
| 106 | K | B | -1.2717 | |
| 107 | I | B | 0.0000 | |
| 108 | I | B | -1.8856 | |
| 109 | E | B | -3.1042 | |
| 110 | K | B | -3.1396 | |
| 111 | D | B | -2.7601 | |
| 112 | A | B | -1.4100 | |
| 113 | C | B | -0.7631 | |
| 114 | S | B | -1.8195 | |
| 115 | C | B | 0.0000 | |
| 116 | I | B | -1.3958 | |
| 117 | I | B | 0.0000 | |
| 118 | R | B | -0.8193 | |
| 119 | S | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | T | B | 0.0000 | |
| 122 | A | B | -0.5118 | |
| 123 | F | B | 0.0000 | |
| 124 | E | B | -1.4923 | |
| 125 | L | B | 0.0000 | |
| 126 | D | B | -1.8843 | |
| 127 | E | B | -2.4538 | |
| 128 | K | B | -2.2626 | |
| 129 | F | B | -0.8791 | |
| 130 | E | B | -1.9540 | |
| 131 | N | B | -1.9303 | |
| 132 | N | B | -1.0528 | |
| 133 | A | B | 0.0000 | |
| 134 | N | B | -1.0078 | |
| 135 | L | B | -0.2502 | |
| 136 | I | B | 0.0000 | |
| 137 | T | B | -0.5156 | |
| 138 | A | B | 0.0000 | |
| 139 | G | B | -0.9354 | |
| 140 | N | B | -0.6350 | |
| 141 | L | B | -0.2829 | |
| 142 | W | B | 0.0000 | |
| 143 | G | B | -0.6723 | |
| 144 | A | B | 0.0000 | |
| 145 | A | B | 0.0000 | |
| 146 | K | B | -0.9618 | |
| 147 | A | B | -0.5509 | |
| 148 | I | B | 0.0000 | |
| 149 | S | B | 0.0000 | |
| 150 | N | B | -1.0365 | |
| 151 | Y | B | -0.4204 | |
| 152 | V | B | 0.0000 | |
| 153 | I | B | -0.5800 | |
| 154 | Q | B | -1.8249 | |
| 155 | N | B | -2.2792 | |
| 156 | K | B | -2.3926 |
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