Predicted ligand sequences


ADAN-name: 1JWG2.PDB (view again the scoring matrix)

PDB name: [1JWG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D E D L L H I
position 1 2 3 4 5 6 7
poly-Ala
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 2.171 ΔGbinding -17.252
TOTAL
 -15.081
Backbone Hb -2.413 Cis_bond 0.000
Sidechain Hb -2.712 Torsional clash 0.309
Van der Waals -10.936 Backbone clash 0.246
Electrostatics -2.952 Helix dipole 0.037
Solvation Polar 12.095 Water bridges 0.000
Solvation Hyd -17.949 Disulfide 0.000
VdW clashes 1.041 Electrost. Kon -1.640
Entropy sc 4.762 Part.cov.bonds 0.000
Entropy mc

3.106

 ΔGstability

-28.730
       

Predicted ligand sequences for template [1JWG2.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).
 
  1JWG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDsLLsI 0.0
2 DDDLLsI 0.01
3 DEsLLsI 0.17
4 DLsLLsI 0.18
5 DEDLLsI 0.19
6 DLDLLsI 0.2
7 DDELLsI 0.24
8 DDsLysI 0.35
9 DDDLysI 0.36
10 DDsMLsI 0.39
11 DEELLsI 0.41
12 DDDMLsI 0.41
13 DLELLsI 0.42
14 DDsLMsI 0.44
15 DDDLMsI 0.45
16 DDsLLKI 0.47
17 DDDLLKI 0.49
18 DEsLysI 0.52
19 DLsLysI 0.53
20 DEDLysI 0.54
21 DLDLysI 0.55
22 DEsMLsI 0.57
23 DEDMLsI 0.58
24 DLsMLsI 0.58
25 DDELysI 0.59
26 DLDMLsI 0.59
27 DEsLMsI 0.61
28 DLsLMsI 0.62
29 DEDLMsI 0.63
30 DDEMLsI 0.63
31 DLDLMsI 0.64
32 DEsLLKI 0.65
33 DEDLLKI 0.66
34 DLsLLKI 0.66
35 DLDLLKI 0.67
36 DDELMsI 0.68
37 DDELLKI 0.71
38 DDsMysI 0.74
39 DEELysI 0.76
40 DDDMysI 0.76
41 DLELysI 0.77
42 DEEMLsI 0.8
43 DLEMLsI 0.81
44 DDsLyKI 0.82
45 DDsMMsI 0.83
46 DDDLyKI 0.84
47 DEELMsI 0.85
48 DDDMMsI 0.85
49 DLELMsI 0.86
50 DDsMLKI 0.87
51 DDDMLKI 0.88
52 DEELLKI 0.89
53 DLELLKI 0.9
54 DEsMysI 0.91
55 DDsLMKI 0.91
56 DLsMysI 0.92
57 DDDLMKI 0.93
58 DEDMysI 0.93
59 DLDMysI 0.94
60 DDEMysI 0.98
61 DEsLyKI 1.0
62 DEsMMsI 1.0
63 DLsLyKI 1.01
64 DLsMMsI 1.01
65 DEDLyKI 1.01
66 DEDMMsI 1.02
67 DLDLyKI 1.02
68 DLDMMsI 1.03
69 DEsMLKI 1.04
70 DLsMLKI 1.05
71 DDELyKI 1.06
72 DEDMLKI 1.06
73 DLDMLKI 1.07
74 DDEMMsI 1.07
75 DEsLMKI 1.09
76 DLsLMKI 1.1
77 DEDLMKI 1.1
78 DDEMLKI 1.11
79 DLDLMKI 1.11
80 DDELMKI 1.15
81 DEEMysI 1.15
82 DLEMysI 1.16
83 DDsMyKI 1.22
84 DDDMyKI 1.23
85 DEELyKI 1.23
86 DEEMMsI 1.24
87 DLELyKI 1.25
88 DLEMMsI 1.25
89 DEEMLKI 1.28
90 DLEMLKI 1.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDDLLsI

1.57

-19.19

-17.62
2 DDDLMsI

1.54

-18.32

-16.78
3 DDsLMsI

1.57

-18.33

-16.76
4 DDsLLsI

1.66

-18.39

-16.73
5 DEsLLsI

1.64

-18.2

-16.56
6 DEDMLsI

1.5

-18.03

-16.53
7 DLELLsI

1.52

-18.0

-16.48
8 DLsLLsI

1.78

-18.07

-16.29
9 DLDMLsI

1.67

-17.9

-16.23
10 DEDLLsI

1.69

-17.9

-16.21
11 DLDLLsI

1.77

-17.93

-16.16
12 DEELLsI

1.68

-17.84

-16.16
13 DEsLMsI

1.6

-17.64

-16.04
14 DEDLMsI

1.68

-17.68

-16.0
15 DDDMLsI

1.54

-17.39

-15.85
16 DLsMLsI

1.62

-17.43

-15.81
17 DLsLMsI

1.78

-17.48

-15.7
18 DDDLLKI

1.64

-17.17

-15.53
19 DDEMLsI

1.52

-16.93

-15.41
20 DDsMLsI

1.65

-16.95

-15.3
21 DDsLLKI

1.81

-17.04

-15.23
22 DEsMLsI

1.6

-16.66

-15.06
23 DDELLsI

1.57

-16.28

-14.71
24 DEsLysI

4.02

-18.28

-14.26
25 DDELysI

3.04

-17.26

-14.22
26 DLDLysI

4.39

-17.77

-13.38
27 DEDLysI

2.98

-15.47

-12.49
28 DDsLysI

3.48

-15.76

-12.28
29 DDDLysI

3.54

-14.84

-11.3
30 DLsLysI

4.04

-15.08

-11.04

 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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