Predicted ligand sequences


ADAN-name: 1J4Q2.PDB (view again the scoring matrix)

PDB name: [1J4Q.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L E V p E A D A T F V Q
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
A
A
 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 6.122 ΔGbinding -4.582
TOTAL
 1.540
Backbone Hb -3.438 Cis_bond 0.000
Sidechain Hb -9.112 Torsional clash 4.420
Van der Waals -5.082 Backbone clash 0.217
Electrostatics -2.411 Helix dipole 0.000
Solvation Polar 11.345 Water bridges -0.137
Solvation Hyd -4.753 Disulfide 0.000
VdW clashes 0.944 Electrost. Kon -2.226
Entropy sc 3.476 Part.cov.bonds 0.000
Entropy mc

2.393

 ΔGstability

185.665
       

Predicted ligand sequences for template [1J4Q2.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).
 
  1J4Q2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ypsWDsMMyRFRy 0.0
2 ypsWDsMMyRFRF 0.0
3 yysWDsMMyRFRF 0.01
4 yysWDsMMyRFRy 0.01
5 ypsWDsMMRRFRy 0.02
6 ypsWDsMMRRFRF 0.03
7 yysWDsMMRRFRy 0.03
8 ypsWDsMMyRFRY 0.03
9 yysWDsMMRRFRF 0.04
10 yysWDsMMyRFRY 0.04
11 ypsWDsMMRRFRY 0.06
12 ypsWDsMMyRyRy 0.06
13 ypsWDsMMyRyRF 0.06
14 yysWDsMMRRFRY 0.07
15 yysWDsMMyRyRy 0.07
16 yysWDsMMyRyRF 0.07
17 ypsWDsMMRRyRy 0.08
18 ypsWDsMMyRyRY 0.09
19 yKsWDsMMyRFRy 0.09
20 yKsWDsMMyRFRF 0.09
21 ypsWDsMMRRyRF 0.09
22 yysWDsMMyRyRY 0.1
23 yysWDsMMRRyRF 0.1
24 yysWDsMMRRyRy 0.1
25 ypsWDsMMHRFRF 0.1
26 ypsWDsMMHRFRy 0.1
27 yysWDsMMHRFRy 0.11
28 yysWDsMMHRFRF 0.11
29 yKsWDsMMRRFRy 0.11
30 yKsWDsMMyRFRY 0.12
31 ypsWDsMMRRyRY 0.12
32 yKsWDsMMRRFRF 0.12
33 yysWDsMMRRyRY 0.13
34 ypsWDsFMyRFRy 0.13
35 ypsWDsFMyRFRF 0.13
36 ypsWDsMMyWFRF 0.13
37 ypsWDsMMyWFRy 0.13
38 ypsWDsMMHRFRY 0.13
39 yysWDsMMHRFRY 0.14
40 yysWDsMMyWFRy 0.14
41 yysWDsMMyWFRF 0.14
42 yysWDsFMyRFRF 0.14
43 yysWDsFMyRFRy 0.14
44 ypsWDsMMRWFRy 0.15
45 ypsWDEMMyRFRF 0.15
46 ypsWDEMMyRFRy 0.15
47 yKsWDsMMyRyRF 0.15
48 yKsWDsMMyRyRy 0.15
49 yKsWDsMMRRFRY 0.15
50 ypsWDsFMRRFRF 0.16
51 ypsWDsFMRRFRy 0.16
52 ypsWDsMMRWFRF 0.16
53 yysWDsMMRWFRy 0.16
54 yysWDEMMyRFRF 0.16
55 ypsWDsFMyRFRY 0.16
56 ypsWDsMMyWFRY 0.16
57 ypsWDsMMHRyRy 0.16
58 yysWDEMMyRFRy 0.16
59 yysWDsMMyWFRY 0.17
60 yysWDsMMHRyRF 0.17
61 yysWDsMMHRyRy 0.17
62 yysWDsFMRRFRF 0.17
63 yysWDsFMRRFRy 0.17
64 ypsyDsMMyRFRy 0.17
65 ypsyDsMMyRFRF 0.17
66 ypsWDsMMyRpRF 0.17
67 ypsWDsMMyRpRy 0.17
68 yysWDsMMRWFRF 0.17
69 yysWDsFMyRFRY 0.17
70 yKsWDsMMRRyRy 0.17
71 ypsWDsMMHRyRF 0.17
72 ypsWDEMMRRFRF 0.17
73 ypsWDEMMRRFRy 0.17
74 yysyDsMMyRFRF 0.18
75 ypsWDEMMyRFRY 0.18
76 yysWDEMMRRFRF 0.18
77 yysWDEMMRRFRy 0.18
78 yKsWDsMMyRyRY 0.18
79 yysWDsMMyRpRF 0.18
80 yysWDsMMyRpRy 0.18
81 yKsWDsMMRRyRF 0.18
82 yysyDsMMyRFRy 0.18
83 ypsWDsMMyWyRF 0.19
84 ypsWDsMMyWyRy 0.19
85 ypsWDsFMRRFRY 0.19
86 ypsyDsMMRRFRy 0.19
87 ypsWDsMMRRpRy 0.19
88 yysWDEMMyRFRY 0.19
89 yKsWDsMMHRFRy 0.19
90 yKsWDsMMHRFRF 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ypsWDsMMyRyRY

1.45

-11.69

-10.24
2 yysWDsMMyRyRy

1.64

-11.72

-10.08
3 yysWDsMMyRyRF

1.68

-11.76

-10.08
4 yysWDsMMRRFRY

1.66

-11.71

-10.05
5 yysWDsMMyRyRY

2.04

-12.06

-10.02
6 yysWDsMMRRyRF

1.72

-11.69

-9.97
7 yysWDsMMRRFRF

2.23

-12.09

-9.86
8 ypsWDsMMyRyRF

1.52

-11.37

-9.85
9 ypsWDsMMHRFRy

1.46

-11.26

-9.8
10 yysWDsMMyRFRY

1.33

-10.99

-9.66
11 yysWDsMMRRFRy

2.08

-11.48

-9.4
12 ypsWDsMMRRFRF

2.81

-12.06

-9.25
13 ypsWDsMMRRFRy

2.2

-11.35

-9.15
14 yysWDsMMyRFRF

2.59

-11.66

-9.07
15 ypsWDsMMyRyRy

2.04

-11.05

-9.01
16 yysWDsMMRRyRy

2.11

-10.62

-8.51
17 ypsWDsMMHRFRF

1.22

-9.7

-8.48
18 ypsWDsMMRRyRF

1.65

-9.9

-8.25
19 ypsWDsMMRRFRY

2.03

-10.17

-8.14
20 yKsWDsMMyRFRF

2.0

-10.03

-8.03
21 yKsWDsMMRRFRy

2.02

-10.0

-7.98
22 ypsWDsMMyRFRy

1.91

-9.83

-7.92
23 ypsWDsMMyRFRF

1.67

-9.45

-7.78
24 yKsWDsMMyRFRy

2.16

-9.94

-7.78
25 yysWDsMMHRFRy

1.94

-9.63

-7.69
26 yysWDsMMyRFRy

1.82

-9.48

-7.66
27 ypsWDsMMyRFRY

2.24

-9.85

-7.61
28 ypsWDsMMRRyRy

2.44

-9.77

-7.33
29 yKsWDsMMyRFRY

2.73

-9.75

-7.02
30 yysWDsMMHRFRF

2.14

-8.51

-6.37

 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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