Predicted ligand sequences


ADAN-name: 1LCK3.PDB (view again the scoring matrix)

PDB name: [1LCK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E G Q y Q P Q P A
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
G
A
y
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 4.427 ΔGbinding -4.860
TOTAL
 -0.433
Backbone Hb -0.060 Cis_bond 0.000
Sidechain Hb -4.000 Torsional clash 0.280
Van der Waals -8.630 Backbone clash 0.760
Electrostatics -4.730 Helix dipole 0.000
Solvation Polar 13.240 Water bridges -0.520
Solvation Hyd -9.660 Disulfide 0.000
VdW clashes 2.100 Electrost. Kon -2.560
Entropy sc 5.370 Part.cov.bonds 0.000
Entropy mc

4.310

 ΔGstability

80.780
       

Predicted ligand sequences for template [1LCK3.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).
 
  1LCK3.PDB  

(data)
# Predicted Sequences Value Calculate
1 sGsyLsMIy 0.0
2 sGEyLsMIy 0.06
3 sGDyLsMIy 0.08
4 yGsyLsMIy 0.1
5 yGEyLsMIy 0.16
6 WGsyLsMIy 0.16
7 yGDyLsMIy 0.18
8 sGsyLEMIy 0.2
9 sGsyLDMIy 0.21
10 WGEyLsMIy 0.22
11 WGDyLsMIy 0.24
12 sGEyLEMIy 0.27
13 sGEyLDMIy 0.27
14 sGDyLEMIy 0.28
15 sGDyLDMIy 0.29
16 yGsyLEMIy 0.3
17 yGsyLDMIy 0.31
18 sssyLsMIy 0.33
19 yGEyLEMIy 0.36
20 WGsyLEMIy 0.37
21 WGsyLDMIy 0.37
22 yGEyLDMIy 0.37
23 yGDyLEMIy 0.38
24 ssEyLsMIy 0.39
25 yGDyLDMIy 0.39
26 ssDyLsMIy 0.41
27 yssyLsMIy 0.42
28 WGEyLDMIy 0.43
29 WGEyLEMIy 0.43
30 WGDyLEMIy 0.45
31 WGDyLDMIy 0.45
32 sGsyMsMIy 0.45
33 ysEyLsMIy 0.48
34 WssyLsMIy 0.49
35 ysDyLsMIy 0.5
36 sGEyMsMIy 0.51
37 sssyLEMIy 0.53
38 sGDyMsMIy 0.53
39 sssyLDMIy 0.54
40 WsEyLsMIy 0.55
41 yGsyMsMIy 0.55
42 WsDyLsMIy 0.57
43 ssEyLEMIy 0.59
44 ssEyLDMIy 0.6
45 ssDyLEMIy 0.61
46 WGsyMsMIy 0.61
47 yGEyMsMIy 0.61
48 ssDyLDMIy 0.62
49 yssyLDMIy 0.63
50 yGDyMsMIy 0.63
51 yssyLEMIy 0.63
52 sGsyMEMIy 0.66
53 sGsyMDMIy 0.66
54 WGEyMsMIy 0.67
55 ysEyLDMIy 0.69
56 WGDyMsMIy 0.69
57 ysEyLEMIy 0.69
58 WssyLDMIy 0.7
59 WssyLEMIy 0.7
60 ysDyLDMIy 0.71
61 sGEyMEMIy 0.71
62 ysDyLEMIy 0.71
63 sGEyMDMIy 0.72
64 sGDyMEMIy 0.73
65 sGDyMDMIy 0.74
66 yGsyMEMIy 0.75
67 WsEyLEMIy 0.76
68 yGsyMDMIy 0.76
69 WsEyLDMIy 0.76
70 sssyMsMIy 0.78
71 WsDyLEMIy 0.78
72 WsDyLDMIy 0.78
73 yGEyMEMIy 0.81
74 WGsyMDMIy 0.82
75 WGsyMEMIy 0.82
76 yGEyMDMIy 0.82
77 yGDyMEMIy 0.83
78 ssEyMsMIy 0.84
79 yGDyMDMIy 0.84
80 ssDyMsMIy 0.86
81 yssyMsMIy 0.87
82 WGEyMDMIy 0.88
83 WGEyMEMIy 0.88
84 WGDyMDMIy 0.9
85 WGDyMEMIy 0.9
86 ysEyMsMIy 0.93
87 WssyMsMIy 0.94
88 ysDyMsMIy 0.95
89 sssyMEMIy 0.98
90 sssyMDMIy 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 sGsyLDMIy

3.75

-12.68

-8.93
2 yGEyLDMIy

3.27

-12.04

-8.77
3 sGDyLDMIy

3.47

-11.58

-8.11
4 yGsyLDMIy

3.45

-11.42

-7.97
5 yGsyLEMIy

4.29

-11.99

-7.7
6 yGDyLDMIy

3.48

-11.15

-7.67
7 WGsyLDMIy

3.6

-11.24

-7.64
8 sGEyLDMIy

5.02

-12.58

-7.56
9 WGEyLsMIy

4.56

-11.97

-7.41
10 WGDyLEMIy

3.85

-11.2

-7.35
11 WGsyLEMIy

3.26

-10.56

-7.3
12 sGEyLEMIy

4.5

-11.75

-7.25
13 sGsyLsMIy

4.5

-11.64

-7.14
14 sGEyLsMIy

4.98

-12.05

-7.07
15 WGsyLsMIy

4.13

-11.2

-7.07
16 yGEyLEMIy

3.46

-10.45

-6.99
17 ssDyLsMIy

6.55

-13.47

-6.92
18 yGDyLsMIy

4.57

-11.46

-6.89
19 yGEyLsMIy

4.56

-11.36

-6.8
20 ssEyLsMIy

7.16

-13.86

-6.7
21 yGsyLsMIy

4.85

-11.49

-6.64
22 sGDyLEMIy

4.93

-11.31

-6.38
23 WGEyLEMIy

3.74

-9.99

-6.25
24 sssyLsMIy

6.85

-13.09

-6.24
25 sGDyLsMIy

4.94

-10.82

-5.88
26 WGEyLDMIy

4.63

-9.93

-5.3
27 yGDyLEMIy

5.13

-10.39

-5.26
28 sGsyLEMIy

4.97

-10.06

-5.09
29 WGDyLsMIy

4.78

-9.69

-4.91
30 yssyLsMIy

6.8

-11.2

-4.4

 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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