Predicted ligand sequences


ADAN-name: 2PKU2.PDB (view again the scoring matrix)

PDB name: [2PKU.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E S V K I
position 1 2 3 4 5
poly-Ala
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 3.001 ΔGbinding -6.740
TOTAL
 -3.739
Backbone Hb -5.920 Cis_bond 0.000
Sidechain Hb -1.330 Torsional clash 0.540
Van der Waals -8.460 Backbone clash 0.930
Electrostatics -1.550 Helix dipole -0.160
Solvation Polar 12.740 Water bridges -0.740
Solvation Hyd -11.780 Disulfide 0.000
VdW clashes 2.640 Electrost. Kon -0.640
Entropy sc 5.110 Part.cov.bonds 0.000
Entropy mc

2.810

 ΔGstability

49.540
       

Predicted ligand sequences for template [2PKU2.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).
 
  2PKU2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMWMM 0.0
2 MMWMM 0.01
3 DMWMM 0.03
4 GMWMM 0.09
5 EMMMM 0.1
6 MMMMM 0.11
7 PMWMM 0.13
8 DMMMM 0.13
9 GMMMM 0.19
10 ECWMM 0.2
11 MCWMM 0.21
12 DCWMM 0.23
13 PMMMM 0.23
14 EMWLM 0.25
15 MMWLM 0.26
16 DMWLM 0.28
17 GCWMM 0.29
18 ECMMM 0.29
19 MCMMM 0.3
20 DCMMM 0.32
21 PCWMM 0.33
22 GMWLM 0.34
23 EMMLM 0.35
24 MMMLM 0.36
25 PMWLM 0.38
26 DMMLM 0.38
27 GCMMM 0.39
28 ENWMM 0.41
29 PCMMM 0.42
30 MNWMM 0.42
31 DNWMM 0.44
32 GMMLM 0.44
33 ECWLM 0.45
34 MCWLM 0.46
35 EKWMM 0.48
36 DCWLM 0.48
37 PMMLM 0.48
38 MKWMM 0.49
39 GNWMM 0.51
40 DKWMM 0.51
41 ENMMM 0.51
42 MNMMM 0.52
43 PNWMM 0.54
44 GCWLM 0.54
45 DNMMM 0.54
46 EMLMM 0.54
47 MMLMM 0.55
48 ECMLM 0.55
49 MCMLM 0.56
50 GKWMM 0.57
51 DMLMM 0.57
52 EKMMM 0.58
53 DCMLM 0.58
54 PCWLM 0.58
55 MKMMM 0.59
56 GNMMM 0.6
57 DKMMM 0.61
58 PKWMM 0.61
59 GMLMM 0.63
60 GCMLM 0.64
61 PNMMM 0.64
62 GKMMM 0.67
63 ENWLM 0.67
64 PMLMM 0.67
65 MNWLM 0.68
66 PCMLM 0.68
67 DNWLM 0.7
68 PKMMM 0.71
69 EKWLM 0.73
70 ECLMM 0.74
71 MKWLM 0.75
72 MCLMM 0.75
73 GNWLM 0.76
74 DCLMM 0.77
75 DKWLM 0.77
76 ENMLM 0.77
77 MNMLM 0.78
78 DNMLM 0.79
79 EMLLM 0.79
80 MMLLM 0.8
81 PNWLM 0.8
82 DMLLM 0.82
83 EKMLM 0.83
84 GKWLM 0.83
85 GCLMM 0.83
86 MKMLM 0.84
87 GNMLM 0.86
88 DKMLM 0.86
89 PKWLM 0.86
90 PCLMM 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DCMMM

3.45

-12.05

-8.6
2 ECMMM

3.5

-11.96

-8.46
3 EMMMM

4.05

-12.47

-8.42
4 DMMMM

4.51

-12.68

-8.17
5 EMWMM

4.08

-11.88

-7.8
6 GCWMM

3.35

-11.0

-7.65
7 DCWMM

3.45

-11.06

-7.61
8 MMMLM

3.78

-11.36

-7.58
9 PMMMM

4.11

-11.67

-7.56
10 DMWLM

3.48

-11.04

-7.56
11 DMWMM

4.27

-11.59

-7.32
12 GMWMM

4.13

-11.39

-7.26
13 PCWMM

3.73

-10.98

-7.25
14 PCMMM

3.97

-11.22

-7.25
15 GMMMM

4.21

-11.44

-7.23
16 PMWMM

4.31

-11.36

-7.05
17 MCWMM

4.08

-11.12

-7.04
18 GMWLM

3.76

-10.76

-7.0
19 PMWLM

3.67

-10.66

-6.99
20 MMMMM

4.44

-11.43

-6.99
21 EMMLM

3.89

-10.8

-6.91
22 EMWLM

4.14

-10.98

-6.84
23 ECWMM

4.2

-10.88

-6.68
24 ENWMM

4.22

-10.73

-6.51
25 DMMLM

3.85

-10.31

-6.46
26 MCMMM

3.61

-10.06

-6.45
27 GCMMM

3.63

-9.71

-6.08
28 MMWLM

3.77

-9.79

-6.02
29 MMWMM

3.97

-9.97

-6.0
30 MNWMM

4.96

-10.77

-5.81

 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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