Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-14.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
poly-Ala
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    

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Intraclash 1.198 ΔGbinding -0.414
TOTAL
 0.784
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.138
Van der Waals -3.755 Backbone clash 0.115
Electrostatics 0.785 Helix dipole 0.000
Solvation Polar 3.897 Water bridges -0.028
Solvation Hyd -5.978 Disulfide 0.000
VdW clashes 0.059 Electrost. Kon 0.991
Entropy sc 0.452 Part.cov.bonds 0.000
Entropy mc

3.025

 ΔGstability

13.720
       

Predicted ligand sequences for model [BBC1_1ZUK2-14.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_1ZUK2-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPPIIHKYR 0.0
2 WPFIIHKYR 0.01
3 WPPIIRKYR 0.08
4 WPPIIHRYR 0.08
5 WPMIIHKYR 0.08
6 WPPIIHKYK 0.08
7 WPFIIRKYR 0.09
8 WPFIIHRYR 0.09
9 WPFIIHKYK 0.09
10 WPPIVHKYR 0.14
11 WPFIVHKYR 0.15
12 WPMIIHRYR 0.16
13 WPPIIRKYK 0.16
14 WPMIIHKYK 0.16
15 WPPIIRRYR 0.16
16 WPMIIRKYR 0.16
17 WPFIIRKYK 0.17
18 WPFIIRRYR 0.17
19 WPFIIHRYK 0.17
20 WPPIIHRYK 0.17
21 WPPIIHKYF 0.17
22 WPFIIHKYF 0.18
23 WPPIVHRYR 0.22
24 WPPIVRKYR 0.22
25 WPPIVHKYK 0.22
26 WPMIVHKYR 0.22
27 WPFIVHRYR 0.23
28 WPPIIHKHR 0.23
29 WPFIVHKYK 0.23
30 WPFIVRKYR 0.23
31 WPFIIHKHR 0.23
32 WPMIIRRYR 0.24
33 WPPIIRKYF 0.24
34 WPPIIRRYK 0.24
35 WPMIIRKYK 0.24
36 WPFIIRKYF 0.25
37 WPFIIRRYK 0.25
38 WPMIIHRYK 0.25
39 WPPIIHRYF 0.25
40 WPMIIHKYF 0.25
41 WPPIIWKYR 0.25
42 WPFIIHRYF 0.26
43 WPFIIWKYR 0.26
44 WPPIIRKHR 0.3
45 WPMIVHRYR 0.3
46 WPPIVRRYR 0.3
47 RPPIIHKYR 0.3
48 WPPKIHKYR 0.3
49 WPMIVRKYR 0.3
50 WPPIVRKYK 0.3
51 WDPIIHKYR 0.3
52 WPMIIHKHR 0.3
53 WPMIVHKYK 0.3
54 RPFIIHKYR 0.31
55 WPFIIRKHR 0.31
56 WPPIIHRHR 0.31
57 WPPIVHRYK 0.31
58 WDFIIHKYR 0.31
59 WPPIIHKHK 0.31
60 WPFKIHKYR 0.31
61 WPFIVRKYK 0.31
62 WPFIVRRYR 0.31
63 WPPIVHKYF 0.31
64 WPFIVHRYK 0.32
65 WPFIIHRHR 0.32
66 WPFIVHKYF 0.32
67 WPFIIHKHK 0.32
68 WPMIIRRYK 0.33
69 WPPIIWRYR 0.33
70 WPMIIHRYF 0.33
71 WPPIIRRYF 0.33
72 WPMIIWKYR 0.33
73 WPPIIWKYK 0.33
74 WPMIIRKYF 0.33
75 WPFIIRRYF 0.34
76 WPFIIWKYK 0.34
77 WPFIIWRYR 0.34
78 WPPRIHKYR 0.36
79 WPPIVHKHR 0.36
80 WRPIIHKYR 0.36
81 WRFIIHKYR 0.37
82 WPFRIHKYR 0.37
83 WPFIVHKHR 0.37
84 WDPIIHRYR 0.38
85 WPPKIRKYR 0.38
86 WPPKIHRYR 0.38
87 WDMIIHKYR 0.38
88 RPPIIRKYR 0.38
89 WPMIIRKHR 0.38
90 WPMKIHKYR 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPMIIHRYR

3.64

-9.69

-6.05
2 WPPIVRKYR

3.26

-9.24

-5.98
3 WPPIIHKHR

3.51

-9.46

-5.95
4 WPMIIRKYR

3.11

-9.02

-5.91
5 WPPIIHRYR

3.57

-9.05

-5.48
6 WPPIIRRYR

2.06

-7.51

-5.45
7 WPPIVHKYR

2.55

-7.89

-5.34
8 WPPIVHRYR

2.94

-8.26

-5.32
9 WPPIIRKYR

2.99

-8.08

-5.09
10 WPMIVHKYR

3.58

-8.59

-5.01
11 WPPIIHRYK

2.31

-7.08

-4.77
12 WPFIVHKYR

4.24

-8.8

-4.56
13 WPFIVRKYR

3.44

-7.96

-4.52
14 WPMIIHKYR

4.02

-8.44

-4.42
15 WPPIIHKYR

3.35

-7.74

-4.39
16 WPFIVHRYR

4.3

-8.56

-4.26
17 WPFIIRKYR

2.51

-6.6

-4.09
18 WPPIIRKYK

3.49

-7.3

-3.81
19 WPFIIRRYR

3.54

-7.33

-3.79
20 WPFIIHKYR

3.81

-7.36

-3.55
21 WPPIIHKYK

2.97

-6.49

-3.52
22 WPMIIHKYK

3.55

-6.94

-3.39
23 WPFIIHRYR

4.38

-7.57

-3.19
24 WPPIVHKYK

2.3

-5.47

-3.17
25 WPFIVHKYK

4.0

-7.02

-3.02
26 WPFIIRKYK

3.26

-5.95

-2.69
27 WPFIIHKYF

3.73

-6.05

-2.32
28 WPFIIHKYK

3.71

-5.82

-2.11
29 WPPIIHKYF

3.67

-5.0

-1.33
30 WPFIIHRYK

4.7

-5.3

-0.6

 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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