Predicted ligand sequences


ADAN-name: 2HDX2.PDB (view again the scoring matrix)

PDB name: [2HDX.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T P D y E L L T E
position 1 2 3 4 5 6 7 8 9
poly-Ala A A A
y
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 5.506 ΔGbinding -22.720
TOTAL
 -17.214
Backbone Hb -6.870 Cis_bond 0.000
Sidechain Hb -8.630 Torsional clash 0.120
Van der Waals -13.810 Backbone clash 0.870
Electrostatics -6.570 Helix dipole -0.290
Solvation Polar 19.950 Water bridges -1.730
Solvation Hyd -16.300 Disulfide 0.000
VdW clashes 0.300 Electrost. Kon -4.290
Entropy sc 9.610 Part.cov.bonds 0.000
Entropy mc

5.780

 ΔGstability

-0.580
       

Predicted ligand sequences for template [2HDX2.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).
 
  2HDX2.PDB  

(data)
# Predicted Sequences Value Calculate
1 sssyDyMMs 0.0
2 sssyDyMMM 0.01
3 sssyDyMME 0.02
4 sysyDyMMs 0.04
5 sysyDyMMM 0.04
6 sysyDyMME 0.06
7 spsyDyMMs 0.07
8 spsyDyMMM 0.08
9 spsyDyMME 0.09
10 sssyDWMMM 0.12
11 sssyDWMMs 0.12
12 sssyDMMMs 0.12
13 sssyDMMMM 0.13
14 sssyDWMME 0.14
15 sssyDMMME 0.14
16 sssyDyMRs 0.15
17 sysyDWMMM 0.16
18 sysyDWMMs 0.16
19 sysyDMMMs 0.16
20 sssyDyMRM 0.16
21 DssyDyMMs 0.17
22 sysyDMMMM 0.17
23 sssyDyMRE 0.17
24 DssyDyMMM 0.18
25 sysyDWMME 0.18
26 sysyDMMME 0.18
27 spsyDWMMs 0.19
28 spsyDWMMM 0.19
29 sysyDyMRs 0.19
30 sysyDyMRM 0.19
31 DssyDyMME 0.19
32 spsyDMMMs 0.19
33 spsyDMMMM 0.2
34 spsyDWMME 0.21
35 sysyDyMRE 0.21
36 DysyDyMMs 0.21
37 sssyDyLMs 0.21
38 sssyDyLMM 0.21
39 spsyDyMRs 0.22
40 spsyDMMME 0.22
41 DysyDyMMM 0.22
42 spsyDyMRM 0.23
43 DysyDyMME 0.23
44 sssyDyLME 0.23
45 spsyDyMRE 0.24
46 sysyDyLMs 0.24
47 DpsyDyMMs 0.24
48 sysyDyLMM 0.25
49 DpsyDyMMM 0.25
50 DpsyDyMME 0.26
51 sysyDyLME 0.27
52 sssyDWMRs 0.27
53 sssyDMMRM 0.28
54 sssyDMMRs 0.28
55 spsyDyLMM 0.28
56 spsyDyLMs 0.28
57 sssyDWMRM 0.28
58 DssyDWMMs 0.29
59 sssyDWMRE 0.29
60 DssyDMMMs 0.3
61 DssyDMMMM 0.3
62 sssyDMMRE 0.3
63 spsyDyLME 0.3
64 DssyDWMMM 0.3
65 sysyDWMRM 0.31
66 sysyDWMRs 0.31
67 DssyDWMME 0.31
68 sysyDMMRs 0.31
69 DssyDMMME 0.32
70 DssyDyMRs 0.32
71 sysyDMMRM 0.32
72 DssyDyMRM 0.33
73 DysyDMMMs 0.33
74 sysyDWMRE 0.33
75 DysyDWMMs 0.33
76 DysyDWMMM 0.33
77 sssyDMLMs 0.33
78 yssyDyMMs 0.33
79 sysyDMMRE 0.33
80 sssyDWLMs 0.33
81 sssyDWLMM 0.33
82 DysyDMMMM 0.34
83 yssyDyMMM 0.34
84 spsyDWMRs 0.34
85 sssyDMLMM 0.34
86 DssyDyMRE 0.35
87 DysyDMMME 0.35
88 yssyDyMME 0.35
89 spsyDWMRM 0.35
90 sssyDMLME 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 sssyDyMRE

2.8

-27.24

-24.44
2 sssyDMMMM

3.07

-27.22

-24.15
3 spsyDyMME

3.04

-27.1

-24.06
4 sssyDWMMM

3.22

-27.16

-23.94
5 sssyDyMMs

2.72

-25.65

-22.93
6 sssyDyMME

3.38

-26.26

-22.88
7 sssyDyMMM

3.25

-25.44

-22.19
8 sssyDWMME

3.64

-25.62

-21.98
9 sysyDMMMs

2.85

-24.76

-21.91
10 spsyDWMMs

3.67

-25.53

-21.86
11 sssyDMMMs

3.54

-25.34

-21.8
12 sysyDyMME

2.84

-24.54

-21.7
13 spsyDyMMM

4.3

-25.97

-21.67
14 spsyDWMMM

3.67

-25.27

-21.6
15 sysyDMMMM

3.56

-24.91

-21.35
16 sysyDMMME

3.54

-24.84

-21.3
17 spsyDyMMs

3.77

-25.04

-21.27
18 DssyDyMMs

3.66

-24.93

-21.27
19 sysyDWMMM

3.43

-24.49

-21.06
20 sssyDyMRM

3.74

-24.75

-21.01
21 sysyDyMRM

3.88

-24.64

-20.76
22 sssyDyMRs

4.08

-24.76

-20.68
23 DssyDyMMM

2.85

-23.29

-20.44
24 sssyDWMMs

3.21

-23.62

-20.41
25 sysyDWMMs

4.05

-24.37

-20.32
26 sssyDMMME

4.06

-24.25

-20.19
27 sysyDWMME

3.98

-23.94

-19.96
28 sysyDyMRs

4.58

-24.24

-19.66
29 sysyDyMMs

2.94

-22.35

-19.41
30 sysyDyMMM

4.03

-21.44

-17.41

 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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