Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-13.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 1.688 ΔGbinding -0.121
TOTAL
 1.567
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.690
Van der Waals -2.977 Backbone clash 0.122
Electrostatics 0.226 Helix dipole 0.000
Solvation Polar 2.861 Water bridges 0.022
Solvation Hyd -4.198 Disulfide 0.000
VdW clashes 0.649 Electrost. Kon 0.282
Entropy sc 0.273 Part.cov.bonds 0.000
Entropy mc

2.052

 ΔGstability

12.439
       

Predicted ligand sequences for model [LSB3_2A08-13.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).
 
  LSB3_2A08-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPYRNPRR 0.0
2 RPYRNPRK 0.19
3 RPYRNPRW 0.21
4 RPYKNPRR 0.22
5 RPFRNPRR 0.29
6 RPYRNFRR 0.33
7 RLYRNPRR 0.34
8 RPYMNPRR 0.36
9 RPYRNWRR 0.36
10 RPPRNPRR 0.39
11 RPYKNPRK 0.41
12 RPYKNPRW 0.43
13 RPFRNPRK 0.49
14 RPFRNPRW 0.51
15 RPFKNPRR 0.51
16 RPYRNFRK 0.52
17 RLYRNPRK 0.53
18 RPYRNFRW 0.54
19 RPYKNFRR 0.55
20 RLYRNPRW 0.55
21 RPYMNPRK 0.55
22 RPYRNWRK 0.55
23 RLYKNPRR 0.56
24 RPYMNPRW 0.57
25 RPYKNWRR 0.58
26 RPPRNPRK 0.58
27 RPYRNWRW 0.58
28 RPPKNPRR 0.6
29 RPPRNPRW 0.6
30 RPFRNFRR 0.62
31 RLFRNPRR 0.63
32 RPFMNPRR 0.65
33 RPFRNWRR 0.66
34 RLYRNFRR 0.67
35 RPYMNFRR 0.69
36 RLYMNPRR 0.7
37 RLYRNWRR 0.7
38 RPFKNPRK 0.7
39 RPPRNFRR 0.71
40 RLPRNPRR 0.72
41 RPYMNWRR 0.72
42 RPFKNPRW 0.73
43 RPYKNFRK 0.74
44 RPPMNPRR 0.74
45 RLYKNPRK 0.75
46 RPPRNWRR 0.75
47 RPYKNFRW 0.76
48 RPYKNWRK 0.77
49 RLYKNPRW 0.77
50 RPPKNPRK 0.79
51 RPYKNWRW 0.79
52 RPFRNFRK 0.81
53 RPPKNPRW 0.82
54 RLFRNPRK 0.82
55 RPFRNFRW 0.84
56 RPFKNFRR 0.84
57 RPFMNPRK 0.84
58 RPFRNWRK 0.85
59 RLFRNPRW 0.85
60 RLFKNPRR 0.85
61 RLYRNFRK 0.86
62 RPFRNWRW 0.87
63 RPFMNPRW 0.87
64 RPYMNFRK 0.88
65 RPFKNWRR 0.88
66 RLYRNFRW 0.88
67 RLYMNPRK 0.89
68 RLYKNFRR 0.89
69 RLYRNWRK 0.89
70 RPYMNFRW 0.9
71 RLYMNPRW 0.91
72 RPPRNFRK 0.91
73 RLYRNWRW 0.91
74 RLPRNPRK 0.91
75 RPYMNWRK 0.91
76 RLYKNWRR 0.92
77 RPPKNFRR 0.93
78 RPPRNFRW 0.93
79 RPYMNWRW 0.93
80 RPPMNPRK 0.93
81 RLPKNPRR 0.94
82 RLPRNPRW 0.94
83 RPPRNWRK 0.94
84 RLFRNFRR 0.96
85 RPPKNWRR 0.96
86 RPPRNWRW 0.96
87 RPPMNPRW 0.96
88 RPFMNFRR 0.98
89 RLFMNPRR 0.99
90 RLFRNWRR 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPYRNFRR

1.73

-13.13

-11.4
2 RPFRNPRW

1.67

-12.42

-10.75
3 RPFRNPRK

1.58

-11.15

-9.57
4 RPYMNPRR

1.7

-11.17

-9.47
5 RPFKNPRR

1.57

-10.98

-9.41
6 RPYMNPRK

1.76

-10.96

-9.2
7 RPFRNPRR

1.79

-10.99

-9.2
8 RPYRNWRK

1.82

-10.99

-9.17
9 RLYKNPRR

1.85

-10.93

-9.08
10 RPYKNPRK

1.85

-10.89

-9.04
11 RPPRNPRK

1.69

-10.72

-9.03
12 RPYKNWRR

1.62

-10.53

-8.91
13 RPYRNPRR

1.79

-10.68

-8.89
14 RPYMNPRW

1.62

-10.5

-8.88
15 RPFRNFRR

1.9

-10.73

-8.83
16 RPPKNPRR

1.72

-10.37

-8.65
17 RPPRNPRW

1.71

-10.15

-8.44
18 RPYRNWRW

1.71

-10.15

-8.44
19 RPYRNWRR

1.75

-10.11

-8.36
20 RPPRNPRR

1.81

-10.02

-8.21
21 RPYKNFRR

1.98

-10.17

-8.19
22 RLYRNPRR

2.08

-10.15

-8.07
23 RPYRNFRK

1.67

-9.6

-7.93
24 RPYKNPRW

1.87

-9.55

-7.68
25 RPYKNPRR

1.66

-9.32

-7.66
26 RPYRNFRW

1.81

-9.39

-7.58
27 RPYRNPRK

1.92

-9.35

-7.43
28 RPYRNPRW

1.75

-8.93

-7.18
29 RLYRNPRK

2.08

-8.82

-6.74
30 RLYRNPRW

2.2

-8.7

-6.5

 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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