Predicted ligand sequences


ADAN-name: 1JDH3.PDB (view again the scoring matrix)

PDB name: [1JDH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K S S E N S S A E R D L A D V K S S L V
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
 A
A
 A A 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 2.774 ΔGbinding -29.795
TOTAL
 -27.021
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -8.637 Torsional clash 0.505
Van der Waals -13.705 Backbone clash 0.299
Electrostatics -6.893 Helix dipole 0.054
Solvation Polar 14.936 Water bridges -0.431
Solvation Hyd -21.032 Disulfide 0.000
VdW clashes 0.429 Electrost. Kon -1.940
Entropy sc 7.241 Part.cov.bonds 0.000
Entropy mc

1.205

 ΔGstability

-144.816
       

Predicted ligand sequences for template [1JDH3.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).
 
  1JDH3.PDB  

(data)
# Predicted Sequences Value Calculate
1 EsIDDEYIyWyLyDLMEDLD 0.0
2 EsEDDEYIyWyLyDLMEDLD 0.0
3 EsIEDEYIyWyLyDLMEDLD 0.02
4 EsEEDEYIyWyLyDLMEDLD 0.02
5 EsIDDEYSyWyLyDLMEDLD 0.03
6 EsEDDEYSyWyLyDLMEDLD 0.03
7 EsIDDEYIyWyLyWLMEDLD 0.05
8 EEIDDEYIyWyLyDLMEDLD 0.05
9 EsIEDEYSyWyLyDLMEDLD 0.05
10 EEEDDEYIyWyLyDLMEDLD 0.05
11 EsEEDEYSyWyLyDLMEDLD 0.05
12 ssIDDEYIyWyLyDLMEDLD 0.05
13 EsEDDEYIyWyLyWLMEDLD 0.06
14 ssEDDEYIyWyLyDLMEDLD 0.06
15 EsEEDEYIyWyLyWLMEDLD 0.07
16 ssIEDEYIyWyLyDLMEDLD 0.07
17 EsIEDEYIyWyLyWLMEDLD 0.07
18 ssEEDEYIyWyLyDLMEDLD 0.07
19 EEIEDEYIyWyLyDLMEDLD 0.07
20 EEEEDEYIyWyLyDLMEDLD 0.07
21 ssIDDEYSyWyLyDLMEDLD 0.08
22 EEIDDEYSyWyLyDLMEDLD 0.08
23 EsIDDEYSyWyLyWLMEDLD 0.08
24 ssEDDEYSyWyLyDLMEDLD 0.08
25 EEEDDEYSyWyLyDLMEDLD 0.08
26 EssDDEYIyWyLyDLMEDLD 0.09
27 EsEDDEYSyWyLyWLMEDLD 0.09
28 EsIDDEWIyWyLyDLMEDLD 0.09
29 EEIEDEYSyWyLyDLMEDLD 0.1
30 ssEEDEYSyWyLyDLMEDLD 0.1
31 EsIEDEYSyWyLyWLMEDLD 0.1
32 EEIDDEYIyWyLyWLMEDLD 0.1
33 EsEEDEYSyWyLyWLMEDLD 0.1
34 sEIDDEYIyWyLyDLMEDLD 0.1
35 ssIEDEYSyWyLyDLMEDLD 0.1
36 EEEEDEYSyWyLyDLMEDLD 0.1
37 EsEDDEWIyWyLyDLMEDLD 0.1
38 sEEDDEYIyWyLyDLMEDLD 0.1
39 EssEDEYIyWyLyDLMEDLD 0.11
40 ssIDDEYIyWyLyWLMEDLD 0.11
41 EsIEDEWIyWyLyDLMEDLD 0.11
42 DsIDDEYIyWyLyDLMEDLD 0.11
43 EsEEDEWIyWyLyDLMEDLD 0.11
44 DsEDDEYIyWyLyDLMEDLD 0.11
45 EEEDDEYIyWyLyWLMEDLD 0.11
46 ssEDDEYIyWyLyWLMEDLD 0.11
47 EsIDDEWSyWyLyDLMEDLD 0.12
48 sEIEDEYIyWyLyDLMEDLD 0.12
49 ssIEDEYIyWyLyWLMEDLD 0.12
50 EEEEDEYIyWyLyWLMEDLD 0.12
51 EEIEDEYIyWyLyWLMEDLD 0.12
52 EssDDEYSyWyLyDLMEDLD 0.12
53 sEEEDEYIyWyLyDLMEDLD 0.12
54 EsEDDEWSyWyLyDLMEDLD 0.13
55 ssIDDEYSyWyLyWLMEDLD 0.13
56 DsIEDEYIyWyLyDLMEDLD 0.13
57 ssEEDEYIyWyLyWLMEDLD 0.13
58 sEEDDEYSyWyLyDLMEDLD 0.13
59 DsEEDEYIyWyLyDLMEDLD 0.13
60 EEIDDEYSyWyLyWLMEDLD 0.13
61 sEIDDEYSyWyLyDLMEDLD 0.13
62 DsIDDEYSyWyLyDLMEDLD 0.14
63 EEIDDEWIyWyLyDLMEDLD 0.14
64 EssDDEYIyWyLyWLMEDLD 0.14
65 EDIDDEYIyWyLyDLMEDLD 0.14
66 EsEEDEWSyWyLyDLMEDLD 0.14
67 EssEDEYSyWyLyDLMEDLD 0.14
68 sssDDEYIyWyLyDLMEDLD 0.14
69 EEsDDEYIyWyLyDLMEDLD 0.14
70 EDEDDEYIyWyLyDLMEDLD 0.14
71 ssEDDEYSyWyLyWLMEDLD 0.14
72 DsEDDEYSyWyLyDLMEDLD 0.14
73 ssIDDEWIyWyLyDLMEDLD 0.14
74 EsIEDEWSyWyLyDLMEDLD 0.14
75 EEEDDEYSyWyLyWLMEDLD 0.14
76 sEIEDEYSyWyLyDLMEDLD 0.15
77 sEIDDEYIyWyLyWLMEDLD 0.15
78 EEEDDEWIyWyLyDLMEDLD 0.15
79 sEEEDEYSyWyLyDLMEDLD 0.15
80 EEEEDEYSyWyLyWLMEDLD 0.15
81 EEsEDEYIyWyLyDLMEDLD 0.15
82 ssEDDEWIyWyLyDLMEDLD 0.15
83 EsEDDEWIyWyLyWLMEDLD 0.15
84 EDIEDEYIyWyLyDLMEDLD 0.15
85 ssIEDEYSyWyLyWLMEDLD 0.15
86 EsIDDEWIyWyLyWLMEDLD 0.15
87 EEIEDEYSyWyLyWLMEDLD 0.15
88 ssIEDEWIyWyLyDLMEDLD 0.16
89 DsIEDEYSyWyLyDLMEDLD 0.16
90 DEIDDEYIyWyLyDLMEDLD 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EsEEDEYSyWyLyDLMEDLD

2.61

-39.79

-37.18
2 EsEDDEYSyWyLyWLMEDLD

2.92

-40.06

-37.14
3 ssEEDEYSyWyLyDLMEDLD

2.82

-39.51

-36.69
4 ssIDDEYSyWyLyDLMEDLD

2.94

-39.49

-36.55
5 EsIDDEYSyWyLyDLMEDLD

3.02

-39.24

-36.22
6 EEIEDEYSyWyLyDLMEDLD

3.15

-39.07

-35.92
7 EsEDDEYSyWyLyDLMEDLD

2.72

-38.57

-35.85
8 EEEDDEYSyWyLyDLMEDLD

2.96

-38.0

-35.04
9 EsIEDEYSyWyLyDLMEDLD

2.98

-37.67

-34.69
10 EsIDDEYSyWyLyWLMEDLD

2.92

-36.81

-33.89
11 EEIDDEYSyWyLyDLMEDLD

5.22

-37.78

-32.56
12 EEIEDEYIyWyLyDLMEDLD

3.9

-35.57

-31.67
13 EsEDDEYIyWyLyWLMEDLD

4.75

-35.83

-31.08
14 EEEDDEYIyWyLyDLMEDLD

5.11

-35.76

-30.65
15 EEIDDEYIyWyLyDLMEDLD

5.35

-35.25

-29.9
16 ssIEDEYIyWyLyDLMEDLD

4.93

-34.34

-29.41
17 EsIDDEWIyWyLyDLMEDLD

5.31

-34.35

-29.04
18 EsEDDEYIyWyLyDLMEDLD

6.13

-35.1

-28.97
19 EsIDDEYIyWyLyWLMEDLD

5.75

-34.63

-28.88
20 EsIEDEYIyWyLyDLMEDLD

4.45

-32.91

-28.46
21 ssIDDEYIyWyLyDLMEDLD

5.84

-33.7

-27.86
22 EsEEDEYIyWyLyWLMEDLD

6.76

-34.18

-27.42
23 EsIEDEYIyWyLyWLMEDLD

5.68

-32.79

-27.11
24 ssEEDEYIyWyLyDLMEDLD

5.55

-32.47

-26.92
25 EssDDEYIyWyLyDLMEDLD

6.23

-32.83

-26.6
26 EsIDDEYIyWyLyDLMEDLD

6.63

-32.51

-25.88
27 EsEEDEYIyWyLyDLMEDLD

6.29

-31.51

-25.22
28 ssEDDEYSyWyLyDLMEDLD

3.06

-27.17

-24.11
29 ssEDDEYIyWyLyDLMEDLD

7.31

-30.95

-23.64
30 EEEEDEYIyWyLyDLMEDLD

5.88

-24.25

-18.37

 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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