Predicted ligand sequences


ADAN-name: 1K5R2.PDB (view again the scoring matrix)

PDB name: [1K5R.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G T P P P P Y T V G
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
 A A A
A
A
 A A
A
G

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 10.484 ΔGbinding 3.805
TOTAL
 14.289
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.039
Van der Waals -4.228 Backbone clash 0.062
Electrostatics 0.029 Helix dipole 0.000
Solvation Polar 3.518 Water bridges 0.000
Solvation Hyd -6.206 Disulfide 0.000
VdW clashes 6.691 Electrost. Kon -0.003
Entropy sc 0.605 Part.cov.bonds 0.000
Entropy mc

2.360

 ΔGstability

89.770
       

Predicted ligand sequences for template [1K5R2.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).
 
  1K5R2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MsPMGRQDPy 0.0
2 FsPMGRQDPy 0.01
3 MsPMGRQDPF 0.01
4 MsPMGRQDPP 0.01
5 FsPMGRQDPF 0.02
6 FsPMGRQDPP 0.03
7 YsPMGRQDPy 0.05
8 YsPMGRQDPF 0.06
9 YsPMGRQDPP 0.07
10 MGPMGRQDPy 0.18
11 FGPMGRQDPy 0.19
12 MGPMGRQDPF 0.19
13 MsPMGRMDPy 0.19
14 MsPMGRFDPy 0.2
15 FsPMGRMDPy 0.2
16 MGPMGRQDPP 0.2
17 MsPMGRMDPP 0.2
18 MsPMGRMDPF 0.2
19 FsPMGRFDPy 0.21
20 FGPMGRQDPP 0.21
21 FGPMGRQDPF 0.21
22 MsPMGRFDPP 0.21
23 MsPMGRFDPF 0.21
24 FsPMGRMDPP 0.21
25 FsPMGRMDPF 0.21
26 FsPMGRFDPF 0.22
27 FsPMGRFDPP 0.22
28 YGPMGRQDPy 0.24
29 YsPMGRMDPy 0.24
30 YGPMGRQDPF 0.25
31 YGPMGRQDPP 0.25
32 YsPMGRMDPF 0.25
33 YsPMGRFDPy 0.25
34 YsPMGRMDPP 0.26
35 YsPMGRFDPP 0.26
36 YsPMGRFDPF 0.26
37 MsPMGGQDPy 0.28
38 MsPMGGQDPF 0.29
39 FsPMGGQDPy 0.29
40 MsPMGGQDPP 0.3
41 FsPMGGQDPF 0.3
42 MsPLGRQDPy 0.3
43 MsPMGRQNPy 0.31
44 FsPLGRQDPy 0.31
45 FsPMGGQDPP 0.31
46 MsPLGRQDPF 0.31
47 MsPMGRQNPF 0.32
48 MsPMGRQNPP 0.32
49 FsPMGRQNPy 0.32
50 MsPLGRQDPP 0.32
51 FsPLGRQDPP 0.33
52 FsPLGRQDPF 0.33
53 FsPMGRQNPF 0.33
54 FsPMGRQNPP 0.33
55 YsPMGGQDPy 0.34
56 MsPyGRQDPy 0.34
57 FsPyGRQDPy 0.35
58 YsPMGGQDPP 0.35
59 YsPMGGQDPF 0.35
60 MsPyGRQDPP 0.35
61 MsPyGRQDPF 0.35
62 YsPLGRQDPy 0.36
63 FsPyGRQDPP 0.36
64 FsPyGRQDPF 0.36
65 YsPMGRQNPy 0.36
66 YsPLGRQDPF 0.37
67 YsPLGRQDPP 0.37
68 MGPMGRMDPy 0.37
69 YsPMGRQNPF 0.37
70 MGPMGRMDPF 0.38
71 FGPMGRMDPy 0.38
72 YsPMGRQNPP 0.38
73 MGPMGRFDPy 0.38
74 FGPMGRMDPF 0.39
75 MGPMGRMDPP 0.39
76 YsPyGRQDPy 0.39
77 MsGMGRQDPy 0.39
78 FGPMGRFDPy 0.39
79 MGPMGRFDPP 0.39
80 MGPMGRFDPF 0.39
81 FGPMGRMDPP 0.4
82 FsGMGRQDPy 0.4
83 YsPyGRQDPF 0.4
84 YsPyGRQDPP 0.4
85 MsPMGRQGPy 0.4
86 MsGMGRQDPF 0.4
87 FGPMGRFDPF 0.4
88 FsPMGRQGPy 0.41
89 MsPMGRQGPF 0.41
90 MsPMGRQGPP 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YsPMGRQDPy

10.54

-2.84

7.7
2 MGPMGRQDPy

8.72

-1.0

7.72
3 MsPMGRQDPF

10.07

-2.26

7.81
4 FGPMGRQDPy

9.21

-1.11

8.1
5 FGPMGRQDPP

8.91

-0.53

8.38
6 YGPMGRQDPy

9.18

-0.45

8.73
7 MGPMGRQDPP

9.48

-0.59

8.89
8 FsPMGRQDPF

10.64

-1.68

8.96
9 MsPMGRMDPP

10.66

-1.57

9.09
10 MsPMGRQDPP

11.12

-2.01

9.11
11 MsPMGRQDPy

10.89

-1.76

9.13
12 FsPMGRMDPP

10.97

-1.79

9.18
13 FGPMGRQDPF

10.0

-0.66

9.34
14 YsPMGRQDPF

11.84

-2.25

9.59
15 YGPMGRQDPF

10.23

-0.62

9.61
16 YsPMGRQDPP

11.94

-2.29

9.65
17 MsPMGRFDPy

11.55

-1.8

9.75
18 MGPMGRQDPF

10.77

-1.0

9.77
19 MsPMGRFDPP

11.38

-1.61

9.77
20 FsPMGRFDPF

11.39

-1.45

9.94
21 FsPMGRFDPy

11.85

-1.73

10.12
22 MsPMGRMDPy

11.72

-1.5

10.22
23 FsPMGRMDPy

12.22

-1.81

10.41
24 FsPMGRFDPP

12.06

-1.59

10.47
25 YsPMGRMDPy

11.84

-1.35

10.49
26 MsPMGRMDPF

11.96

-1.45

10.51
27 FsPMGRQDPP

12.46

-1.46

11.0
28 FsPMGRMDPF

12.61

-1.59

11.02
29 FsPMGRQDPy

12.86

-1.65

11.21
30 MsPMGRFDPF

12.98

-1.35

11.63

 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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