Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-2.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
A
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    

(Help)

Intraclash 1.228 ΔGbinding 7.154
TOTAL
 8.382
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.942
Van der Waals -5.908 Backbone clash 0.059
Electrostatics -0.327 Helix dipole 0.000
Solvation Polar 5.965 Water bridges 0.011
Solvation Hyd -8.372 Disulfide 0.000
VdW clashes 13.009 Electrost. Kon -0.400
Entropy sc 1.044 Part.cov.bonds 0.000
Entropy mc

2.465

 ΔGstability

23.776
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-2.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).
 
  BZZ1-D1_1ZUU-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHRKRGPDPH 0.0
2 RHRKRGPDMH 0.03
3 RHRRRGPDPH 0.06
4 RHRKRGPHPH 0.08
5 RHRRRGPDMH 0.09
6 RHRKRGPHMH 0.11
7 RHRKRGPPPH 0.14
8 RHRRRGPHPH 0.14
9 RHRKRGPPMH 0.17
10 RHRRRGPHMH 0.17
11 RHRRRGPPPH 0.2
12 RHKKRGPDPH 0.2
13 RHRRRGPPMH 0.23
14 RHKKRGPDMH 0.23
15 RHKRRGPDPH 0.26
16 RHKKRGPHPH 0.28
17 RHKRRGPDMH 0.29
18 RHKKRGPHMH 0.31
19 RHKKRGPPPH 0.34
20 RHKRRGPHPH 0.34
21 RHRKRGPDQH 0.35
22 RHHKRGPDPH 0.36
23 RHKRRGPHMH 0.37
24 RHKKRGPPMH 0.37
25 RHHKRGPDMH 0.39
26 RIRKRGPDPH 0.39
27 RHKRRGPPPH 0.4
28 RHRRRGPDQH 0.41
29 RHHRRGPDPH 0.41
30 RIRKRGPDMH 0.42
31 RHRKRGPHQH 0.43
32 RHKRRGPPMH 0.43
33 RHHKRGPHPH 0.43
34 RHHRRGPDMH 0.45
35 RIRRRGPDPH 0.45
36 RHHKRGPHMH 0.46
37 RIRKRGPHPH 0.47
38 RIRRRGPDMH 0.48
39 RHRKRGPPQH 0.49
40 RHRRRGPHQH 0.49
41 RHHKRGPPPH 0.49
42 RHHRRGPHPH 0.49
43 RIRKRGPHMH 0.5
44 RHHRRGPHMH 0.52
45 RHHKRGPPMH 0.53
46 RIRKRGPPPH 0.53
47 RIRRRGPHPH 0.53
48 RHRRRGPPQH 0.55
49 RHKKRGPDQH 0.55
50 RHHRRGPPPH 0.55
51 RIRRRGPHMH 0.56
52 RIRKRGPPMH 0.56
53 RHHRRGPPMH 0.58
54 RIRRRGPPPH 0.58
55 RIKKRGPDPH 0.59
56 RHKRRGPDQH 0.61
57 RIKKRGPDMH 0.62
58 RIRRRGPPMH 0.62
59 RHKKRGPHQH 0.63
60 RIKRRGPDPH 0.65
61 RIKKRGPHPH 0.67
62 RIKRRGPDMH 0.68
63 RHKKRGPPQH 0.69
64 RHKRRGPHQH 0.69
65 RIKKRGPHMH 0.7
66 RHHKRGPDQH 0.7
67 RIKRRGPHPH 0.73
68 RIKKRGPPPH 0.73
69 RIRKRGPDQH 0.74
70 RIHKRGPDPH 0.74
71 RHKRRGPPQH 0.75
72 RHHRRGPDQH 0.76
73 RIKKRGPPMH 0.76
74 RIKRRGPHMH 0.76
75 RIHKRGPDMH 0.78
76 RHHKRGPHQH 0.78
77 RIKRRGPPPH 0.79
78 RIRRRGPDQH 0.8
79 RIHRRGPDPH 0.8
80 RIRKRGPHQH 0.81
81 RIHKRGPHPH 0.82
82 RIKRRGPPMH 0.82
83 RIHRRGPDMH 0.83
84 RHHRRGPHQH 0.84
85 RHHKRGPPQH 0.84
86 RIHKRGPHMH 0.85
87 RIRRRGPHQH 0.87
88 RIRKRGPPQH 0.88
89 RIHKRGPPPH 0.88
90 RIHRRGPHPH 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHKRRGPDMH

1.19

-5.64

-4.45
2 RHRRRGPHPH

2.07

-6.2

-4.13
3 RHRKRGPHPH

1.24

-5.34

-4.1
4 RHRKRGPPMH

2.34

-6.36

-4.02
5 RHRRRGPPPH

1.94

-5.93

-3.99
6 RHKKRGPHMH

1.44

-5.37

-3.93
7 RHHRRGPDPH

2.26

-6.15

-3.89
8 RHKRRGPPPH

2.61

-6.37

-3.76
9 RHKRRGPHPH

1.49

-5.19

-3.7
10 RHKKRGPDMH

2.66

-6.36

-3.7
11 RHRRRGPDPH

2.78

-6.43

-3.65
12 RHKRRGPDPH

2.64

-6.03

-3.39
13 RHKKRGPDPH

1.08

-4.45

-3.37
14 RHRRRGPHMH

3.0

-6.35

-3.35
15 RHKKRGPPPH

2.48

-5.82

-3.34
16 RHKKRGPHPH

2.72

-6.01

-3.29
17 RHRRRGPPMH

2.47

-5.74

-3.27
18 RHRRRGPDQH

1.75

-4.86

-3.11
19 RHKKRGPPMH

1.85

-4.89

-3.04
20 RHRKRGPPPH

3.27

-6.26

-2.99
21 RHRRRGPDMH

2.76

-5.71

-2.95
22 RHKRRGPHMH

2.3

-5.15

-2.85
23 RHRKRGPDPH

2.38

-5.12

-2.74
24 RHHKRGPDMH

2.74

-5.46

-2.72
25 RHRKRGPHMH

1.6

-4.31

-2.71
26 RHHKRGPDPH

2.55

-4.88

-2.33
27 RIRKRGPDMH

2.99

-5.22

-2.23
28 RHRKRGPDMH

3.34

-5.55

-2.21
29 RHRKRGPDQH

3.53

-5.54

-2.01
30 RIRKRGPDPH

2.71

-4.65

-1.94

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER