Predicted ligand sequences


ADAN-name: 1LCJ2.PDB (view again the scoring matrix)

PDB name: [1LCJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E P Q y E E I P I Y L
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A A A
y
 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 3.699 ΔGbinding -16.650
TOTAL
 -12.951
Backbone Hb -4.500 Cis_bond 0.000
Sidechain Hb -8.680 Torsional clash 0.210
Van der Waals -10.590 Backbone clash 0.600
Electrostatics -5.870 Helix dipole -0.260
Solvation Polar 18.180 Water bridges -1.310
Solvation Hyd -11.460 Disulfide 0.000
VdW clashes 0.300 Electrost. Kon -2.630
Entropy sc 5.240 Part.cov.bonds 0.000
Entropy mc

4.730

 ΔGstability

40.340
       

Predicted ligand sequences for template [1LCJ2.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).
 
  1LCJ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yssyDyMPyDy 0.0
2 yssyDyMPysy 0.02
3 yssyEyMPyDy 0.06
4 yssyEyMPysy 0.08
5 yssyDyMPyEy 0.08
6 yssyMyMPyDy 0.11
7 yssyMyMPysy 0.13
8 yssyEyMPyEy 0.14
9 yssyDyMPyDs 0.15
10 yssyDyMPyDD 0.15
11 ysDyDyMPyDy 0.17
12 yssyDyMPysD 0.17
13 yssyDyMPyss 0.17
14 ysDyDyMPysy 0.18
15 yssyMyMPyEy 0.19
16 sssyDyMPyDy 0.19
17 yMsyDyMPyDy 0.19
18 sssyDyMPysy 0.2
19 yMsyDyMPysy 0.21
20 yssyEyMPyDs 0.21
21 yssyEyMPyDD 0.21
22 ysWyDyMPyDy 0.21
23 ysWyDyMPysy 0.22
24 yssyEyMPysD 0.23
25 yssyDyMPyEs 0.23
26 yssyDyMPyED 0.23
27 ysDyEyMPyDy 0.23
28 yssyEyMPyss 0.23
29 ysDyDyMPyEy 0.24
30 yMsyEyMPyDy 0.25
31 sssyEyMPyDy 0.25
32 ysDyEyMPysy 0.25
33 yssyMyMPyDD 0.26
34 yssyMyMPyDs 0.26
35 sssyDyMPyEy 0.26
36 yssyDyMMyDy 0.26
37 yssyDyMyyDy 0.26
38 yMsyEyMPysy 0.27
39 ysWyEyMPyDy 0.27
40 sssyEyMPysy 0.27
41 yMsyDyMPyEy 0.27
42 yssyDyMyysy 0.27
43 ysWyEyMPysy 0.28
44 yssyMyMPysD 0.28
45 ysDyMyMPyDy 0.28
46 yssyDyMMysy 0.28
47 PssyDyMPyDy 0.28
48 yssyMyMPyss 0.28
49 ysWyDyMPyEy 0.28
50 ysDyMyMPysy 0.29
51 sssyMyMPyDy 0.29
52 PssyDyMPysy 0.29
53 yssyEyMPyEs 0.29
54 yssyEyMPyED 0.29
55 yMsyMyMPyDy 0.3
56 ysDyEyMPyEy 0.3
57 ysWyMyMPyDy 0.31
58 sssyMyMPysy 0.31
59 yMsyMyMPysy 0.31
60 ysDyDyMPyDs 0.32
61 ysDyDyMPyDD 0.32
62 yssyEyMMyDy 0.32
63 yssyEyMyyDy 0.32
64 yssyMyMPyEs 0.33
65 yssyMyMPyED 0.33
66 yssyEyMyysy 0.33
67 yMsyEyMPyEy 0.33
68 yssyDyMyyEy 0.33
69 sssyEyMPyEy 0.33
70 ysDyDyMPyss 0.33
71 ysDyDyMPysD 0.33
72 ysWyMyMPysy 0.33
73 ysWyEyMPyEy 0.34
74 sssyDyMPyDs 0.34
75 sssyDyMPyDD 0.34
76 yssyDyMMyEy 0.34
77 PssyEyMPyDy 0.34
78 yssyEyMMysy 0.34
79 yMsyDyMPyDD 0.34
80 yMsyDyMPyDs 0.34
81 yMDyDyMPyDy 0.35
82 sssyDyMPyss 0.35
83 sssyDyMPysD 0.35
84 yMsyDyMPyss 0.35
85 ysDyMyMPyEy 0.35
86 yMsyDyMPysD 0.35
87 ssDyDyMPyDy 0.35
88 PssyDyMPyEy 0.35
89 yssyMyMyyDy 0.36
90 PssyEyMPysy 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yssyDyMPyDs

3.33

-22.92

-19.59
2 yssyEyMPyEy

3.29

-22.85

-19.56
3 ysDyDyMPyEy

3.53

-23.04

-19.51
4 yMsyDyMPyDy

4.12

-23.57

-19.45
5 yMsyDyMPysy

3.71

-23.11

-19.4
6 yssyEyMPysy

3.72

-22.92

-19.2
7 ysDyDyMPysy

3.37

-22.42

-19.05
8 sssyDyMPysy

4.32

-23.14

-18.82
9 yssyEyMPyDy

3.4

-22.19

-18.79
10 yssyDyMPyEy

3.16

-21.91

-18.75
11 sssyDyMPyDy

5.4

-23.87

-18.47
12 yssyMyMPysy

3.09

-21.46

-18.37
13 yssyDyMPysD

3.48

-21.83

-18.35
14 yssyEyMPysD

3.25

-21.35

-18.1
15 ysDyDyMPyDy

3.79

-21.89

-18.1
16 yssyDyMPyDy

3.61

-21.65

-18.04
17 yssyDyMPyEs

3.21

-21.0

-17.79
18 yssyEyMPyDD

3.14

-20.79

-17.65
19 ysWyDyMPysy

3.76

-21.3

-17.54
20 ysWyDyMPyDy

3.72

-20.96

-17.24
21 yssyEyMPyDs

3.35

-20.5

-17.15
22 yssyDyMPyDD

3.7

-20.84

-17.14
23 yssyMyMPyDy

3.26

-19.99

-16.73
24 yssyDyMPyss

3.44

-20.08

-16.64
25 yssyMyMPyEy

3.09

-19.52

-16.43
26 yssyDyMPysy

2.96

-19.24

-16.28
27 yssyEyMPyss

3.56

-19.58

-16.02
28 ysDyEyMPyDy

3.08

-18.77

-15.69
29 yssyDyMPyED

3.69

-18.25

-14.56
30 yMsyEyMPyDy

2.66

-12.64

-9.98

 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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