Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-17.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 4.772 ΔGbinding 2.524
TOTAL
 7.296
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.086
Van der Waals -3.937 Backbone clash 0.010
Electrostatics 0.185 Helix dipole 0.000
Solvation Polar 3.715 Water bridges 0.000
Solvation Hyd -5.938 Disulfide 0.000
VdW clashes 5.872 Electrost. Kon 0.177
Entropy sc 0.488 Part.cov.bonds 0.000
Entropy mc

3.151

 ΔGstability

14.035
       

Predicted ligand sequences for model [PIN3_1YNZ-17.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).
 
  PIN3_1YNZ-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFMGGRFQ 0.0
2 RRIMGGRFQ 0.03
3 RRRMGGRFQ 0.1
4 RRPMGGRFQ 0.13
5 RRLMGGRFQ 0.14
6 RRFMGGRFF 0.27
7 RRIMGGRFF 0.3
8 RRFMGGFFQ 0.3
9 RRIMGGFFQ 0.33
10 RRRMGGRFF 0.37
11 RRFMGGWFQ 0.39
12 RRRMGGFFQ 0.4
13 RRLMGGRFF 0.41
14 RRPMGGRFF 0.41
15 RRIMGGWFQ 0.42
16 RRPMGGFFQ 0.43
17 RRLMGGFFQ 0.44
18 RRFMPGRFQ 0.45
19 RRFMGGMFQ 0.48
20 RRIMPGRFQ 0.48
21 RRRMGGWFQ 0.49
22 RRFMGGYFQ 0.5
23 RRIMGGMFQ 0.51
24 RRPMGGWFQ 0.52
25 RRIMGGYFQ 0.53
26 RRLMGGWFQ 0.53
27 RRFRGGRFQ 0.54
28 RRRMPGRFQ 0.55
29 RRIRGGRFQ 0.57
30 RRFMGGFFF 0.57
31 RRRMGGMFQ 0.58
32 RRPMPGRFQ 0.58
33 RRLMPGRFQ 0.59
34 RRIMGGFFF 0.6
35 RRRMGGYFQ 0.6
36 RRPMGGMFQ 0.61
37 RRLMGGMFQ 0.62
38 RRPMGGYFQ 0.64
39 RRLMGGYFQ 0.64
40 RRRRGGRFQ 0.64
41 RRFMGGWFF 0.66
42 RRRMGGFFF 0.67
43 RRPRGGRFQ 0.68
44 RRIMGGWFF 0.69
45 RRLRGGRFQ 0.69
46 RRLMGGFFF 0.71
47 RRPMGGFFF 0.71
48 RRFMPGRFF 0.72
49 RRFMGGMFF 0.75
50 RRFMPGFFQ 0.75
51 RRIMPGRFF 0.75
52 RRRMGGWFF 0.76
53 RRIMGGMFF 0.78
54 RRIMPGFFQ 0.78
55 RRFMGGYFF 0.78
56 RRPMGGWFF 0.79
57 RRIMGGYFF 0.8
58 RRLMGGWFF 0.8
59 RRFRGGRFF 0.82
60 RRRMPGRFF 0.82
61 RRFRGGFFQ 0.84
62 RRFMPGWFQ 0.84
63 RRRMPGFFQ 0.85
64 RRIRGGRFF 0.85
65 RRRMGGMFF 0.85
66 RRLMPGRFF 0.86
67 RRIMPGWFQ 0.86
68 RRPMPGRFF 0.86
69 RRIRGGFFQ 0.87
70 RRPMPGFFQ 0.88
71 RRRMGGYFF 0.88
72 RRLMGGMFF 0.89
73 RRLMPGFFQ 0.89
74 RRPMGGMFF 0.89
75 RRPMGGYFF 0.91
76 RRRRGGRFF 0.92
77 RRLMGGYFF 0.92
78 RRFMPGMFQ 0.93
79 RRFRGGWFQ 0.93
80 RRRRGGFFQ 0.94
81 RRRMPGWFQ 0.94
82 RRPRGGRFF 0.95
83 RRFMPGYFQ 0.95
84 RRIRGGWFQ 0.96
85 RRLRGGRFF 0.96
86 RRIMPGMFQ 0.96
87 RRPMPGWFQ 0.97
88 RRIMPGYFQ 0.98
89 RRLMPGWFQ 0.98
90 RRPRGGFFQ 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRMGGRFF

2.83

-5.37

-2.54
2 RRIMGGRFF

2.69

-4.95

-2.26
3 RRLMGGRFF

2.69

-4.9

-2.21
4 RRFMGGRFF

3.67

-5.71

-2.04
5 RRFMGGFFF

2.7

-4.63

-1.93
6 RRPMGGRFF

2.77

-4.34

-1.57
7 RRPMGGWFQ

2.6

-3.94

-1.34
8 RRPMGGFFQ

2.81

-4.14

-1.33
9 RRFMGGRFQ

2.73

-3.96

-1.23
10 RRRMGGRFQ

3.6

-4.78

-1.18
11 RRIMGGMFQ

2.82

-3.86

-1.04
12 RRFMGGFFQ

2.73

-3.48

-0.75
13 RRRMGGFFQ

2.78

-3.52

-0.74
14 RRFMGGMFQ

2.63

-3.28

-0.65
15 RRFMGGWFQ

2.86

-3.5

-0.64
16 RRLMGGRFQ

4.44

-5.07

-0.63
17 RRIMGGFFQ

2.94

-3.52

-0.58
18 RRIMGGRFQ

4.9

-5.27

-0.37
19 RRFMPGRFQ

3.74

-4.02

-0.28
20 RRPMGGRFQ

4.55

-4.74

-0.19
21 RRFMGGYFQ

2.78

-2.93

-0.15
22 RRIRGGRFQ

3.72

-3.83

-0.11
23 RRRMGGWFQ

4.04

-4.14

-0.1
24 RRIMGGYFQ

3.62

-3.68

-0.06
25 RRIMPGRFQ

3.29

-3.21

0.08
26 RRLMGGFFQ

3.15

-3.0

0.15
27 RRRMPGRFQ

4.94

-4.74

0.2
28 RRFRGGRFQ

3.74

-3.51

0.23
29 RRLMGGWFQ

2.79

-2.53

0.26
30 RRIMGGWFQ

2.84

-2.48

0.36

 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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