Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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    

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Intraclash 1.254 ΔGbinding 1.496
TOTAL
 2.750
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.484
Van der Waals -2.841 Backbone clash 0.022
Electrostatics 0.454 Helix dipole 0.000
Solvation Polar 2.446 Water bridges -0.068
Solvation Hyd -4.423 Disulfide 0.000
VdW clashes 2.797 Electrost. Kon 0.514
Entropy sc 0.327 Part.cov.bonds 0.000
Entropy mc

1.806

 ΔGstability

12.065
       

Predicted ligand sequences for model [BBC1_1ZUK2-13.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).
 
  BBC1_1ZUK2-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRHPFR 0.0
2 RPRRHMFR 0.07
3 RHRRHPFR 0.08
4 RHRRHMFR 0.15
5 RPKRHPFR 0.15
6 RPRRHWFR 0.16
7 RPPRHPFR 0.18
8 RPRRHPLR 0.19
9 WPRRHPFR 0.2
10 RPKRHMFR 0.22
11 RPRFHPFR 0.23
12 RHRRHWFR 0.24
13 RHKRHPFR 0.24
14 RPPRHMFR 0.24
15 RHPRHPFR 0.26
16 RPRRHMLR 0.26
17 WPRRHMFR 0.26
18 RHRRHPLR 0.28
19 WHRRHPFR 0.28
20 RPRFHMFR 0.29
21 RHKRHMFR 0.3
22 RHRFHPFR 0.31
23 RPKRHWFR 0.31
24 RHPRHMFR 0.33
25 RPPRHWFR 0.33
26 RHRRHMLR 0.34
27 RPRRHWLR 0.35
28 RPKRHPLR 0.35
29 WPRRHWFR 0.35
30 WPKRHPFR 0.35
31 WHRRHMFR 0.35
32 RPPRHPLR 0.37
33 RHRFHMFR 0.37
34 WPPRHPFR 0.37
35 RPKFHPFR 0.38
36 RPRFHWFR 0.38
37 WPRRHPLR 0.39
38 RHKRHWFR 0.39
39 RPPFHPFR 0.4
40 RPKRHMLR 0.41
41 WPKRHMFR 0.41
42 RHPRHWFR 0.42
43 WPRFHPFR 0.42
44 RPRFHPLR 0.42
45 RHKRHPLR 0.43
46 WHKRHPFR 0.43
47 RPKFHMFR 0.44
48 RPPRHMLR 0.44
49 RHRRHWLR 0.44
50 WHRRHWFR 0.44
51 WPPRHMFR 0.44
52 WHPRHPFR 0.46
53 RHPRHPLR 0.46
54 RHKFHPFR 0.46
55 WPRRHMLR 0.46
56 RPPFHMFR 0.47
57 RHRFHWFR 0.47
58 WHRRHPLR 0.47
59 RPRFHMLR 0.48
60 RHKRHMLR 0.49
61 RHPFHPFR 0.49
62 WPRFHMFR 0.49
63 WHKRHMFR 0.5
64 RHRFHPLR 0.5
65 RPKRHWLR 0.5
66 WHRFHPFR 0.51
67 WPKRHWFR 0.51
68 WHPRHMFR 0.52
69 RHPRHMLR 0.52
70 RHKFHMFR 0.53
71 WPPRHWFR 0.53
72 RPPRHWLR 0.53
73 WHRRHMLR 0.54
74 WPKRHPLR 0.54
75 RPKFHWFR 0.54
76 WPRRHWLR 0.55
77 RHPFHMFR 0.55
78 RPPFHWFR 0.56
79 RPKFHPLR 0.57
80 WHRFHMFR 0.57
81 WPKFHPFR 0.57
82 WPPRHPLR 0.57
83 RHRFHMLR 0.57
84 WPRFHWFR 0.58
85 RPRFHWLR 0.58
86 WHKRHWFR 0.59
87 RHKRHWLR 0.59
88 RPPFHPLR 0.6
89 WPPFHPFR 0.6
90 WPRFHPLR 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPRHPFR

2.02

-10.1

-8.08
2 WPRRHPFR

2.52

-9.72

-7.2
3 RPRRHPLR

2.95

-9.83

-6.88
4 RPRFHPFR

2.42

-9.12

-6.7
5 RPKRHPLR

2.82

-9.4

-6.58
6 RHRFHPFR

2.81

-9.36

-6.55
7 RPRRHWFR

3.85

-10.35

-6.5
8 RPKRHPFR

3.81

-10.27

-6.46
9 RPRRHWLR

3.02

-9.47

-6.45
10 RPRRHMLR

3.59

-10.03

-6.44
11 RPRRHPFR

3.91

-10.29

-6.38
12 RPKRHMFR

3.75

-10.11

-6.36
13 RPRRHMFR

2.73

-9.01

-6.28
14 RPKRHWFR

3.64

-9.85

-6.21
15 WPRRHWFR

2.65

-8.73

-6.08
16 WPRRHMFR

3.86

-9.9

-6.04
17 WPKRHPFR

2.95

-8.59

-5.64
18 RPPRHWFR

3.64

-9.13

-5.49
19 RPPRHMFR

3.56

-8.91

-5.35
20 RHRRHPLR

3.68

-8.91

-5.23
21 RPRFHMFR

2.66

-7.79

-5.13
22 WHRRHPFR

4.19

-9.24

-5.05
23 RHKRHMFR

3.46

-8.39

-4.93
24 RHRRHPFR

4.07

-8.89

-4.82
25 RHRRHMFR

4.05

-8.69

-4.64
26 RHRRHWFR

3.96

-8.58

-4.62
27 RHRRHMLR

2.78

-7.27

-4.49
28 RHPRHPFR

3.87

-8.06

-4.19
29 RHPRHMFR

2.98

-6.49

-3.51
30 RHKRHPFR

3.37

-6.23

-2.86

 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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