Predicted ligand sequences


ADAN-name: 1UKH2.PDB (view again the scoring matrix)

PDB name: [1UKH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P K R P T T L N L F
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
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 6.967 ΔGbinding -19.903
TOTAL
 -12.936
Backbone Hb -4.538 Cis_bond 0.000
Sidechain Hb -8.638 Torsional clash 0.848
Van der Waals -12.027 Backbone clash 2.870
Electrostatics -2.891 Helix dipole -0.001
Solvation Polar 12.994 Water bridges -0.296
Solvation Hyd -17.316 Disulfide 0.000
VdW clashes 2.854 Electrost. Kon -1.378
Entropy sc 6.305 Part.cov.bonds 0.000
Entropy mc

4.180

 ΔGstability

24.755
       

Predicted ligand sequences for template [1UKH2.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).
 
  1UKH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWRCRHCsIR 0.0
2 WWRCRHCsIW 0.02
3 WWRCRHCsIK 0.1
4 WWRCRWCsIR 0.11
5 WWRCRWCsIW 0.14
6 WKRCRHCsIR 0.19
7 WFRCRHCsIR 0.2
8 WKRCRHCsIW 0.21
9 WWRCRWCsIK 0.22
10 WFRCRHCsIW 0.22
11 WWRsRHCsIR 0.24
12 WWRsRHCsIW 0.27
13 WWRCRFCsIR 0.28
14 WKRCRHCsIK 0.29
15 WKRCRWCsIR 0.3
16 WWRCRFCsIW 0.3
17 WFRCRHCsIK 0.3
18 WFRCRWCsIR 0.31
19 WFRCRWCsIW 0.33
20 WKRCRWCsIW 0.33
21 WWRsRHCsIK 0.35
22 WWRsRWCsIR 0.36
23 WWRsRWCsIW 0.38
24 MWRCRHCsIR 0.38
25 WWRCRFCsIK 0.38
26 MWRCRHCsIW 0.4
27 WFRCRWCsIK 0.41
28 WKRCRWCsIK 0.41
29 WWRCRHCEIR 0.42
30 WKRsRHCsIR 0.43
31 WFRsRHCsIR 0.44
32 WWRCRHCEIW 0.44
33 WKRsRHCsIW 0.46
34 WWRsRWCsIK 0.46
35 WWRKRHCsIR 0.46
36 WFRsRHCsIW 0.47
37 WFRCRFCsIR 0.47
38 WKRCRFCsIR 0.47
39 MWRCRHCsIK 0.48
40 WWRKRHCsIW 0.48
41 MWRCRWCsIR 0.49
42 WKRCRFCsIW 0.49
43 WFRCRFCsIW 0.5
44 MWRCRWCsIW 0.51
45 WWRsRFCsIR 0.52
46 WWRCRWCEIR 0.53
47 WWRCRHCEIK 0.53
48 WWRsRFCsIW 0.54
49 WKRsRHCsIK 0.54
50 WFRsRWCsIR 0.55
51 WKRsRWCsIR 0.55
52 WFRsRHCsIK 0.55
53 WWRCRWCEIW 0.56
54 WWRKRHCsIK 0.56
55 WKRCRFCsIK 0.57
56 WKRsRWCsIW 0.57
57 MKRCRHCsIR 0.57
58 WWRKRWCsIR 0.57
59 WFRsRWCsIW 0.58
60 WFRCRFCsIK 0.58
61 MFRCRHCsIR 0.58
62 MWRCRWCsIK 0.59
63 WWRKRWCsIW 0.59
64 MKRCRHCsIW 0.59
65 MFRCRHCsIW 0.6
66 WKRCRHCEIR 0.61
67 MWRsRHCsIR 0.62
68 WWRsRFCsIK 0.62
69 WFRCRHCEIR 0.62
70 WKRCRHCEIW 0.63
71 WFRCRHCEIW 0.64
72 WWRCRWCEIK 0.64
73 MWRsRHCsIW 0.65
74 WKRsRWCsIK 0.65
75 MWRCRFCsIR 0.65
76 WFRKRHCsIR 0.65
77 WKRKRHCsIR 0.65
78 WFRsRWCsIK 0.66
79 WWRKRWCsIK 0.67
80 MKRCRHCsIK 0.67
81 WWRsRHCEIR 0.67
82 WKRKRHCsIW 0.67
83 MKRCRWCsIR 0.68
84 MWRCRFCsIW 0.68
85 MFRCRHCsIK 0.68
86 WFRKRHCsIW 0.68
87 MFRCRWCsIR 0.69
88 WWRsRHCEIW 0.69
89 WWRCRFCEIR 0.7
90 MKRCRWCsIW 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WKRCRHCsIR

4.46

-21.03

-16.57
2 WKRCRWCsIR

4.27

-20.16

-15.89
3 WWRCRHCsIK

4.49

-20.19

-15.7
4 WWRCRFCsIR

4.52

-19.46

-14.94
5 WFRCRWCsIK

4.65

-19.55

-14.9
6 WWRCRHCsIW

4.68

-19.4

-14.72
7 WFRCRHCsIW

4.52

-19.21

-14.69
8 WWRCRHCsIR

4.68

-19.12

-14.44
9 WWRCRFCsIK

4.11

-18.14

-14.03
10 WWRCRHCEIR

4.41

-18.3

-13.89
11 WWRsRHCsIW

4.18

-18.0

-13.82
12 WWRCRWCsIK

4.31

-17.87

-13.56
13 WWRCRWCsIR

4.42

-17.96

-13.54
14 WWRsRHCsIK

4.17

-17.66

-13.49
15 WFRCRWCsIR

4.47

-17.85

-13.38
16 WWRCRFCsIW

4.34

-17.53

-13.19
17 WKRsRHCsIR

4.41

-17.58

-13.17
18 WKRCRHCsIK

4.24

-17.38

-13.14
19 WWRsRWCsIW

4.46

-17.24

-12.78
20 WKRCRWCsIW

4.28

-17.05

-12.77
21 WWRsRWCsIR

3.68

-16.43

-12.75
22 WFRCRHCsIK

4.37

-16.88

-12.51
23 WFRCRHCsIR

4.37

-16.81

-12.44
24 WKRCRWCsIK

4.34

-16.75

-12.41
25 WFRCRWCsIW

4.42

-16.71

-12.29
26 MWRCRHCsIR

4.37

-16.54

-12.17
27 WWRCRWCsIW

4.06

-15.9

-11.84
28 WKRCRHCsIW

4.36

-15.64

-11.28
29 WWRsRHCsIR

4.34

-14.68

-10.34
30 MWRCRHCsIW

4.43

-14.55

-10.12

 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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