Predicted ligand sequences (modelled structure)


ADAN-name: HSE1_1GCQ-20.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala A A
A
 A
A
G
 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 2.280 ΔGbinding -1.357
TOTAL
 0.923
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.055
Van der Waals -4.645 Backbone clash 0.098
Electrostatics 0.419 Helix dipole 0.000
Solvation Polar 4.813 Water bridges 0.020
Solvation Hyd -6.683 Disulfide 0.000
VdW clashes 3.014 Electrost. Kon 0.411
Entropy sc 0.733 Part.cov.bonds 0.000
Entropy mc

3.056

 ΔGstability

23.903
       

Predicted ligand sequences for model [HSE1_1GCQ-20.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).
 
  HSE1_1GCQ-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPFRGFSM 0.0
2 FPPRRGFSM 0.05
3 FPPKRGFSM 0.15
4 FPRFRGFSM 0.16
5 FPPFRGKSM 0.2
6 FTPFRGFSM 0.2
7 FPKFRGFSM 0.21
8 FPRRRGFSM 0.21
9 FPPFRGFSL 0.24
10 FPPRRGKSM 0.25
11 FPPFRGRSM 0.26
12 LPPFRGFSM 0.26
13 FTPRRGFSM 0.26
14 FPKRRGFSM 0.26
15 FPPRRGFSL 0.3
16 LPPRRGFSM 0.31
17 FPPRRGRSM 0.31
18 FPRKRGFSM 0.31
19 FVPFRGFSM 0.32
20 FPPKRGKSM 0.35
21 FPRFRGKSM 0.35
22 FPPFRGFRM 0.36
23 FTPKRGFSM 0.36
24 FTRFRGFSM 0.36
25 FPKKRGFSM 0.36
26 FVPRRGFSM 0.37
27 RPPFRGFSM 0.39
28 FTPFRGKSM 0.4
29 FPRFRGFSL 0.4
30 FPPKRGFSL 0.4
31 FPKFRGKSM 0.4
32 FPPKRGRSM 0.41
33 FPPRRGFRM 0.41
34 FTKFRGFSM 0.41
35 FPRRRGKSM 0.41
36 LPPKRGFSM 0.42
37 LPRFRGFSM 0.42
38 FPRFRGRSM 0.42
39 FTRRRGFSM 0.42
40 FPPFRGKSL 0.44
41 RPPRRGFSM 0.44
42 FPKFRGFSL 0.45
43 FTPRRGKSM 0.45
44 FTPFRGFSL 0.45
45 FPKRRGKSM 0.46
46 LPPFRGKSM 0.46
47 FTPFRGRSM 0.46
48 FPRRRGFSL 0.46
49 FTKRRGFSM 0.46
50 LPRRRGFSM 0.47
51 LTPFRGFSM 0.47
52 FPRRRGRSM 0.47
53 LPKFRGFSM 0.47
54 FPKFRGRSM 0.47
55 FVPKRGFSM 0.47
56 FVRFRGFSM 0.48
57 FPPRRGKSL 0.49
58 FPPFRGRSL 0.5
59 FTPRRGFSL 0.5
60 FPKRRGFSL 0.5
61 LPPRRGKSM 0.51
62 FVPFRGKSM 0.51
63 LPPFRGFSL 0.51
64 FPRKRGKSM 0.51
65 FPKRRGRSM 0.52
66 LPKRRGFSM 0.52
67 LTPRRGFSM 0.52
68 FPPKRGFRM 0.52
69 FTPRRGRSM 0.52
70 LPPFRGRSM 0.52
71 FTRKRGFSM 0.52
72 FPRFRGFRM 0.52
73 FVRRRGFSM 0.53
74 FVKFRGFSM 0.53
75 RPRFRGFSM 0.55
76 RPPKRGFSM 0.55
77 FPPRRGRSL 0.55
78 FTPKRGKSM 0.55
79 FTRFRGKSM 0.56
80 LPPRRGFSL 0.56
81 FVPFRGFSL 0.56
82 FPPFRGKRM 0.56
83 FPKKRGKSM 0.56
84 FPRKRGFSL 0.56
85 FVPRRGKSM 0.57
86 LPPRRGRSM 0.57
87 FPRRRGFRM 0.57
88 FTPFRGFRM 0.57
89 FTKKRGFSM 0.57
90 FPKFRGFRM 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPRRGFSL

2.67

-11.93

-9.26
2 FPPFRGFRM

4.35

-13.21

-8.86
3 FPRRRGFSM

2.72

-11.21

-8.49
4 FPKRRGFSM

2.71

-10.99

-8.28
5 FVPRRGFSM

2.64

-10.89

-8.25
6 LPPRRGFSM

2.54

-10.68

-8.14
7 FPPRRGRSM

2.73

-10.77

-8.04
8 FPPKRGFSL

2.35

-9.75

-7.4
9 FPPRRGKSM

2.65

-9.78

-7.13
10 FPKKRGFSM

2.54

-9.6

-7.06
11 FTPRRGFSM

2.67

-9.63

-6.96
12 FPPRRGFSM

3.26

-10.12

-6.86
13 FPPFRGFSM

2.68

-9.23

-6.55
14 FPPKRGFSM

2.57

-9.09

-6.52
15 FPPKRGKSM

2.57

-8.93

-6.36
16 FPRFRGKSM

4.79

-11.02

-6.23
17 FPRKRGFSM

2.53

-8.74

-6.21
18 FPRFRGFSL

2.99

-8.91

-5.92
19 FTPKRGFSM

2.58

-8.44

-5.86
20 LPPFRGFSM

3.42

-9.08

-5.66
21 FPRFRGFSM

3.15

-8.02

-4.87
22 FPKFRGFSM

2.42

-7.22

-4.8
23 RPPFRGFSM

3.01

-7.27

-4.26
24 FTPFRGKSM

3.45

-7.45

-4.0
25 FVPFRGFSM

3.33

-7.26

-3.93
26 FPPFRGKSM

4.86

-8.57

-3.71
27 FTRFRGFSM

3.42

-7.0

-3.58
28 FPPFRGRSM

4.84

-8.21

-3.37
29 FTPFRGFSM

2.78

-5.11

-2.33
30 FPPFRGFSL

6.14

-7.56

-1.42

 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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