Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-7.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
A
G
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 3.754 ΔGbinding 1.412
TOTAL
 5.166
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.678
Van der Waals -2.834 Backbone clash 0.000
Electrostatics 0.409 Helix dipole 0.000
Solvation Polar 3.524 Water bridges -0.013
Solvation Hyd -3.923 Disulfide 0.000
VdW clashes 2.726 Electrost. Kon 0.402
Entropy sc 0.324 Part.cov.bonds 0.000
Entropy mc

1.393

 ΔGstability

10.471
       

Predicted ligand sequences for model [PIN3_1YNZ-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHPRGSRH 0.0
2 FHPRGSRY 0.01
3 FHPRGTRH 0.04
4 FHPRGSRR 0.05
5 FHPRGTRY 0.05
6 FHPMGSRH 0.06
7 FHPMGSRY 0.07
8 FHPRGTRR 0.09
9 FHPMGTRH 0.1
10 FHPIGSRH 0.1
11 FHPIGSRY 0.11
12 FHPMGTRY 0.11
13 FHPMGSRR 0.11
14 FHHRGSRH 0.12
15 FHHRGSRY 0.12
16 FHPIGTRH 0.14
17 FHPMGTRR 0.15
18 FHPIGTRY 0.15
19 FHPIGSRR 0.15
20 FHHRGTRH 0.16
21 FHHRGSRR 0.17
22 FHPRGPRH 0.17
23 FHHRGTRY 0.17
24 FHHMGSRH 0.18
25 FHPRGPRY 0.18
26 FHHMGSRY 0.19
27 FHPIGTRR 0.19
28 FHHRGTRR 0.21
29 FHRRGSRH 0.21
30 FHRRGSRY 0.21
31 FHHMGTRH 0.22
32 FHPRGPRR 0.22
33 FHHIGSRH 0.22
34 FHHMGTRY 0.23
35 FHHMGSRR 0.23
36 FHHIGSRY 0.23
37 FHPMGPRH 0.23
38 FHPRGSLH 0.23
39 FHPMGPRY 0.24
40 FHPRGSLY 0.24
41 FHRRGTRH 0.25
42 FHRRGTRY 0.26
43 FHRRGSRR 0.26
44 FHHIGTRH 0.26
45 FHPIGPRH 0.27
46 FHHIGSRR 0.27
47 FHHMGTRR 0.27
48 FHHIGTRY 0.27
49 FHRMGSRH 0.27
50 FHPIGPRY 0.28
51 FHPRGTLH 0.28
52 FHPRGTLY 0.28
53 FHRMGSRY 0.28
54 FHHRGPRH 0.28
55 FHPRGSLR 0.28
56 FHPMGPRR 0.28
57 FHPMGSLH 0.29
58 FHHRGPRY 0.29
59 FHPMGSLY 0.3
60 FHRRGTRR 0.3
61 FHRMGTRH 0.31
62 FHHIGTRR 0.31
63 FHRIGSRH 0.31
64 FHPIGPRR 0.32
65 FHPRGTLR 0.32
66 FHRMGSRR 0.32
67 FHRMGTRY 0.32
68 FHRIGSRY 0.32
69 FHPRGSMH 0.32
70 FHPIGSLH 0.33
71 FHPRGSMY 0.33
72 FHHRGPRR 0.33
73 FHPMGTLH 0.34
74 FHPIGSLY 0.34
75 FHPMGSLR 0.34
76 FHPMGTLY 0.35
77 FHHRGSLH 0.35
78 FHHMGPRY 0.35
79 FHHMGPRH 0.35
80 FHRIGTRH 0.35
81 FHPRGTMH 0.36
82 FHHRGSLY 0.36
83 FHRIGTRY 0.36
84 FHRMGTRR 0.36
85 FHRIGSRR 0.36
86 FHPRGTMY 0.37
87 FHRRGPRH 0.37
88 FHPRGSMR 0.37
89 FHPIGSLR 0.38
90 FHPIGTLH 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FHPMGSRH

1.98

-6.27

-4.29
2 FHPIGSRH

2.38

-6.31

-3.93
3 FHPMGTRR

1.78

-5.66

-3.88
4 FHHMGSRH

1.82

-5.57

-3.75
5 FHRRGSRH

2.32

-6.03

-3.71
6 FHPMGTRH

1.67

-5.38

-3.71
7 FHHRGTRR

1.81

-5.41

-3.6
8 FHPRGPRH

2.06

-5.63

-3.57
9 FHPMGSRR

2.28

-5.84

-3.56
10 FHPRGSRH

2.14

-5.67

-3.53
11 FHHMGSRY

2.21

-5.72

-3.51
12 FHPIGTRR

2.18

-5.62

-3.44
13 FHPIGTRY

2.1

-5.54

-3.44
14 FHPRGTRR

2.09

-5.42

-3.33
15 FHPIGSRY

2.27

-5.59

-3.32
16 FHHRGTRH

2.05

-5.36

-3.31
17 FHHRGSRH

2.33

-5.63

-3.3
18 FHRRGSRY

2.66

-5.89

-3.23
19 FHPIGSRR

2.28

-5.5

-3.22
20 FHHRGTRY

2.47

-5.67

-3.2
21 FHHRGSRR

2.1

-5.02

-2.92
22 FHPRGTRH

2.05

-4.9

-2.85
23 FHPIGTRH

2.27

-5.11

-2.84
24 FHPRGPRY

2.12

-4.94

-2.82
25 FHPMGTRY

2.67

-5.48

-2.81
26 FHHRGSRY

2.88

-5.69

-2.81
27 FHPMGSRY

2.36

-4.99

-2.63
28 FHPRGTRY

2.61

-5.23

-2.62
29 FHPRGSRR

2.17

-4.73

-2.56
30 FHPRGSRY

2.68

-4.97

-2.29

 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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