Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-18.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A A
A
A
A
G
 A
A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 4.426 ΔGbinding 3.406
TOTAL
 7.832
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.354
Van der Waals -3.441 Backbone clash 1.299
Electrostatics 0.074 Helix dipole 0.000
Solvation Polar 3.511 Water bridges -0.006
Solvation Hyd -5.029 Disulfide 0.000
VdW clashes 3.846 Electrost. Kon 0.238
Entropy sc 0.336 Part.cov.bonds 0.000
Entropy mc

5.298

 ΔGstability

34.618
       

Predicted ligand sequences for model [BUD14_1GCQ-18.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  BUD14_1GCQ-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPWWHWQWR 0.0
2 RFPWWHWQWR 0.02
3 RRFWWHWQWR 0.06
4 RFFWWHWQWR 0.09
5 RRYWWHWQWR 0.09
6 RFYWWHWQWR 0.11
7 RHPWWHWQWR 0.17
8 RRPMWHWQWR 0.18
9 RFPMWHWQWR 0.2
10 RHFWWHWQWR 0.23
11 RRFMWHWQWR 0.24
12 RHYWWHWQWR 0.25
13 RFFMWHWQWR 0.27
14 RRYMWHWQWR 0.27
15 KRPWWHWQWR 0.29
16 RFYMWHWQWR 0.29
17 KFPWWHWQWR 0.31
18 RHPMWHWQWR 0.35
19 KRFWWHWQWR 0.36
20 KRYWWHWQWR 0.38
21 KFFWWHWQWR 0.38
22 KFYWWHWQWR 0.4
23 RHFMWHWQWR 0.41
24 RRPWWHIQWR 0.43
25 RHYMWHWQWR 0.43
26 RFPWWHIQWR 0.45
27 KHPWWHWQWR 0.46
28 MRPWWHWQWR 0.46
29 KRPMWHWQWR 0.47
30 MFPWWHWQWR 0.48
31 RRPWWHNQWR 0.48
32 RRFWWHIQWR 0.49
33 KFPMWHWQWR 0.49
34 RFPWWHNQWR 0.51
35 RFFWWHIQWR 0.52
36 RRYWWHIQWR 0.52
37 KHFWWHWQWR 0.52
38 MRFWWHWQWR 0.52
39 KHYWWHWQWR 0.54
40 MRYWWHWQWR 0.54
41 MFFWWHWQWR 0.54
42 KRFMWHWQWR 0.54
43 RFYWWHIQWR 0.54
44 RRFWWHNQWR 0.55
45 KFFMWHWQWR 0.56
46 KRYMWHWQWR 0.56
47 MFYWWHWQWR 0.56
48 RRYWWHNQWR 0.57
49 RFFWWHNQWR 0.57
50 KFYMWHWQWR 0.58
51 RHPWWHIQWR 0.59
52 RFYWWHNQWR 0.59
53 RRPMWHIQWR 0.61
54 MHPWWHWQWR 0.62
55 RFPMWHIQWR 0.63
56 MRPMWHWQWR 0.64
57 KHPMWHWQWR 0.64
58 RHPWWHNQWR 0.65
59 RHFWWHIQWR 0.66
60 MFPMWHWQWR 0.66
61 RRPMWHNQWR 0.66
62 RHYWWHIQWR 0.68
63 RRFMWHIQWR 0.68
64 MHFWWHWQWR 0.69
65 RFPMWHNQWR 0.69
66 KHFMWHWQWR 0.7
67 RRYMWHIQWR 0.7
68 RFFMWHIQWR 0.7
69 MRFMWHWQWR 0.7
70 MHYWWHWQWR 0.71
71 RHFWWHNQWR 0.71
72 RFYMWHIQWR 0.72
73 MFFMWHWQWR 0.72
74 KHYMWHWQWR 0.72
75 MRYMWHWQWR 0.72
76 KRPWWHIQWR 0.72
77 RRFMWHNQWR 0.73
78 RHYWWHNQWR 0.73
79 KFPWWHIQWR 0.74
80 MFYMWHWQWR 0.75
81 RRYMWHNQWR 0.75
82 RFFMWHNQWR 0.75
83 RFYMWHNQWR 0.77
84 KRPWWHNQWR 0.77
85 RHPMWHIQWR 0.78
86 KRFWWHIQWR 0.79
87 KFPWWHNQWR 0.8
88 MHPMWHWQWR 0.8
89 KFFWWHIQWR 0.81
90 KRYWWHIQWR 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPWWHWQWR

4.0

-2.97

1.03
2 KRYWWHWQWR

4.81

-3.58

1.23
3 RFFMWHWQWR

4.14

-2.24

1.9
4 MFPWWHWQWR

3.34

-0.63

2.71
5 RRYWWHWQWR

3.2

-0.25

2.95
6 RHYWWHWQWR

2.75

0.55

3.3
7 MRPWWHWQWR

4.9

-1.34

3.56
8 RHPWWHWQWR

4.33

-0.72

3.61
9 RFFWWHWQWR

2.43

1.22

3.65
10 RFPWWHIQWR

3.33

0.55

3.88
11 RFYMWHWQWR

3.57

0.33

3.9
12 RHPMWHWQWR

3.47

0.52

3.99
13 RFPWWHWQWR

3.7

0.37

4.07
14 RRFMWHWQWR

3.39

0.71

4.1
15 RRFWWHWQWR

3.13

1.01

4.14
16 RFYWWHWQWR

3.61

0.54

4.15
17 KRPMWHWQWR

4.17

0.02

4.19
18 RHFMWHWQWR

3.44

0.88

4.32
19 RRPMWHWQWR

3.94

0.39

4.33
20 RFPMWHWQWR

2.92

1.41

4.33
21 RRYMWHWQWR

4.23

0.17

4.4
22 RRPWWHIQWR

4.05

0.36

4.41
23 KFFWWHWQWR

3.39

1.13

4.52
24 KFYWWHWQWR

3.99

0.66

4.65
25 KRFWWHWQWR

4.63

0.15

4.78
26 KHPWWHWQWR

4.09

1.06

5.15
27 KFPWWHWQWR

3.83

1.39

5.22
28 RHFWWHWQWR

3.25

2.33

5.58
29 RHYMWHWQWR

4.13

2.14

6.27
30 KRPWWHWQWR

5.07

1.48

6.55

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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