Predicted ligand sequences


ADAN-name: 1O6K2.PDB (view again the scoring matrix)

PDB name: [1O6K.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G R P R T T S F A E
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
 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 5.098 ΔGbinding -22.147
TOTAL
 -17.049
Backbone Hb -4.713 Cis_bond 0.000
Sidechain Hb -9.475 Torsional clash 0.616
Van der Waals -12.833 Backbone clash 0.097
Electrostatics -8.612 Helix dipole -0.030
Solvation Polar 20.500 Water bridges -0.424
Solvation Hyd -15.610 Disulfide 0.000
VdW clashes 0.554 Electrost. Kon -3.216
Entropy sc 4.826 Part.cov.bonds 0.000
Entropy mc

6.271

 ΔGstability

-46.659
       

Predicted ligand sequences for template [1O6K2.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).
 
  1O6K2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWHRHRRFMW 0.0
2 CWHRHRRFMW 0.05
3 yRHRHRRFMW 0.07
4 yWHRHHRFMW 0.1
5 AWHRHRRFMW 0.12
6 CRHRHRRFMW 0.12
7 yWHRFRRFMW 0.13
8 PWHRHRRFMW 0.15
9 CWHRHHRFMW 0.15
10 yKHRHRRFMW 0.17
11 CWHRFRRFMW 0.18
12 yRHRHHRFMW 0.18
13 ARHRHRRFMW 0.2
14 yRHRFRRFMW 0.2
15 CKHRHRRFMW 0.22
16 AWHRHHRFMW 0.22
17 PRHRHRRFMW 0.22
18 yWHRFHRFMW 0.23
19 CRHRHHRFMW 0.23
20 yWHRHRRFMF 0.24
21 AWHRFRRFMW 0.25
22 PWHRHHRFMW 0.25
23 CRHRFRRFMW 0.25
24 yKHRHHRFMW 0.27
25 PWHRFRRFMW 0.28
26 CWHRFHRFMW 0.28
27 CWHRHRRFMF 0.29
28 AKHRHRRFMW 0.29
29 yKHRFRRFMW 0.3
30 ARHRHHRFMW 0.3
31 yRHRFHRFMW 0.3
32 PKHRHRRFMW 0.32
33 CKHRHHRFMW 0.32
34 yRHRHRRFMF 0.32
35 ARHRFRRFMW 0.32
36 PRHRHHRFMW 0.32
37 yWHRHHRFMF 0.34
38 AWHRFHRFMW 0.35
39 PRHRFRRFMW 0.35
40 CRHRFHRFMW 0.35
41 CKHRFRRFMW 0.35
42 AWHRHRRFMF 0.36
43 CRHRHRRFMF 0.37
44 yWHRFRRFMF 0.37
45 PWHRFHRFMW 0.38
46 PWHRHRRFMF 0.39
47 CWHRHHRFMF 0.39
48 AKHRHHRFMW 0.39
49 yKHRFHRFMW 0.4
50 yKHRHRRFMF 0.41
51 ARHRFHRFMW 0.42
52 PKHRHHRFMW 0.42
53 CWHRFRRFMF 0.42
54 yRHRHHRFMF 0.42
55 AKHRFRRFMW 0.42
56 ARHRHRRFMF 0.44
57 yRHRFRRFMF 0.44
58 PRHRFHRFMW 0.45
59 CKHRFHRFMW 0.45
60 PKHRFRRFMW 0.45
61 CKHRHRRFMF 0.46
62 AWHRHHRFMF 0.46
63 PRHRHRRFMF 0.46
64 yWHRFHRFMF 0.47
65 CRHRHHRFMF 0.47
66 AWHRFRRFMF 0.49
67 PWHRHHRFMF 0.49
68 CRHRFRRFMF 0.49
69 yKHRHHRFMF 0.51
70 CWHRFHRFMF 0.52
71 PWHRFRRFMF 0.52
72 AKHRFHRFMW 0.52
73 AKHRHRRFMF 0.53
74 ARHRHHRFMF 0.54
75 yKHRFRRFMF 0.54
76 PKHRFHRFMW 0.55
77 yRHRFHRFMF 0.55
78 PKHRHRRFMF 0.56
79 CKHRHHRFMF 0.56
80 ARHRFRRFMF 0.56
81 PRHRHHRFMF 0.57
82 AWHRFHRFMF 0.59
83 PRHRFRRFMF 0.59
84 CRHRFHRFMF 0.59
85 CKHRFRRFMF 0.59
86 PWHRFHRFMF 0.62
87 AKHRHHRFMF 0.63
88 yKHRFHRFMF 0.64
89 PKHRHHRFMF 0.66
90 AKHRFRRFMF 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yKHRHRRFMW

4.82

-27.1

-22.28
2 PRHRHRRFMW

4.8

-26.75

-21.95
3 CWHRFRRFMW

5.47

-26.98

-21.51
4 AKHRHRRFMW

4.86

-26.21

-21.35
5 yKHRHHRFMW

5.05

-24.06

-19.01
6 yRHRFRRFMW

4.1

-23.06

-18.96
7 yRHRHRRFMW

5.29

-24.23

-18.94
8 yWHRFRRFMW

5.6

-24.47

-18.87
9 ARHRHRRFMW

4.81

-23.17

-18.36
10 CRHRFRRFMW

4.19

-22.39

-18.2
11 yRHRHHRFMW

5.26

-23.33

-18.07
12 CRHRHRRFMW

4.98

-23.0

-18.02
13 CKHRHRRFMW

5.07

-22.36

-17.29
14 yKHRFRRFMW

4.43

-21.64

-17.21
15 ARHRHHRFMW

4.11

-21.02

-16.91
16 CRHRHHRFMW

4.19

-20.55

-16.36
17 CWHRFHRFMW

5.6

-21.86

-16.26
18 yWHRFHRFMW

4.11

-20.14

-16.03
19 AWHRFRRFMW

4.51

-18.36

-13.85
20 PWHRFRRFMW

5.41

-19.11

-13.7
21 yWHRHRRFMW

5.54

-5.47

0.07
22 PWHRHRRFMW

7.0

-6.85

0.15
23 yWHRHRRFMF

7.76

-7.37

0.39
24 CWHRHRRFMF

5.47

-4.89

0.58
25 AWHRHRRFMW

5.45

-4.24

1.21
26 CWHRHRRFMW

5.31

-2.12

3.19
27 CWHRHHRFMW

4.79

-1.52

3.27
28 PWHRHHRFMW

5.04

-1.3

3.74
29 yWHRHHRFMW

5.35

-1.56

3.79
30 AWHRHHRFMW

4.89

-0.67

4.22

 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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