Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-9.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
 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 0.339 ΔGbinding -2.593
TOTAL
 -2.254
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.420
Van der Waals -3.563 Backbone clash 0.012
Electrostatics 0.024 Helix dipole 0.000
Solvation Polar 3.830 Water bridges -0.007
Solvation Hyd -4.531 Disulfide 0.000
VdW clashes 0.031 Electrost. Kon 0.011
Entropy sc 0.531 Part.cov.bonds 0.000
Entropy mc

1.937

 ΔGstability

5.777
       

Predicted ligand sequences for model [SHO1_2VKN-9.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).
 
  SHO1_2VKN-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RNWREPRW 0.0
2 RNFREPRW 0.07
3 RRWREPRW 0.12
4 RRFREPRW 0.2
5 RNLREPRW 0.21
6 RPWREPRW 0.22
7 RNWREPRF 0.26
8 RNWREERW 0.29
9 RPFREPRW 0.29
10 RRLREPRW 0.33
11 RNFREPRF 0.34
12 WNWREPRW 0.35
13 RNFREERW 0.36
14 RNWRERRW 0.38
15 RRWREPRF 0.39
16 RRWREERW 0.41
17 WNFREPRW 0.42
18 RNWRPPRW 0.43
19 RPLREPRW 0.43
20 RNFRERRW 0.45
21 RRFREPRF 0.46
22 WRWREPRW 0.47
23 RNLREPRF 0.47
24 RRFREERW 0.48
25 RPWREPRF 0.49
26 RNLREERW 0.49
27 RRWRERRW 0.5
28 RNFRPPRW 0.51
29 RPWREERW 0.51
30 WRFREPRW 0.54
31 RNWREERF 0.55
32 RRWRPPRW 0.56
33 RPFREPRF 0.56
34 WNLREPRW 0.56
35 WPWREPRW 0.57
36 RPFREERW 0.58
37 RRFRERRW 0.58
38 RNLRERRW 0.59
39 RPWRERRW 0.6
40 RRLREPRF 0.6
41 WNWREPRF 0.61
42 RNFREERF 0.62
43 RRLREERW 0.62
44 RRFRPPRW 0.63
45 WPFREPRW 0.64
46 WNWREERW 0.64
47 RNLRPPRW 0.64
48 RNWRERRF 0.64
49 RPWRPPRW 0.66
50 RPFRERRW 0.67
51 RRWREERF 0.67
52 WRLREPRW 0.68
53 WNFREPRF 0.69
54 RPLREPRF 0.69
55 RNWRPPRF 0.7
56 WNFREERW 0.71
57 RRLRERRW 0.71
58 RNFRERRF 0.72
59 RNWRPERW 0.72
60 RPLREERW 0.72
61 RPFRPPRW 0.73
62 WNWRERRW 0.73
63 WRWREPRF 0.74
64 RRFREERF 0.75
65 RNLREERF 0.76
66 WRWREERW 0.76
67 RNFRPPRF 0.77
68 RRLRPPRW 0.77
69 RPWREERF 0.77
70 RRWRERRF 0.77
71 WNWRPPRW 0.78
72 WPLREPRW 0.78
73 RNFRPERW 0.79
74 WNFRERRW 0.8
75 RNWRPRRW 0.81
76 WRFREPRF 0.81
77 RPLRERRW 0.81
78 RRWRPPRF 0.82
79 WNLREPRF 0.82
80 WPWREPRF 0.83
81 WRFREERW 0.83
82 RRWRPERW 0.84
83 RPFREERF 0.84
84 RRFRERRF 0.84
85 WNLREERW 0.84
86 WRWRERRW 0.85
87 WNFRPPRW 0.85
88 RNLRERRF 0.85
89 WPWREERW 0.86
90 RPLRPPRW 0.86
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPWREERW

1.35

-12.44

-11.09
2 RRWREPRW

1.47

-11.74

-10.27
3 RPLREPRW

1.12

-11.31

-10.19
4 RPFREPRW

1.13

-11.29

-10.16
5 RPWREPRW

2.23

-12.27

-10.04
6 RNWRERRW

1.72

-11.58

-9.86
7 RRWRERRW

1.59

-11.33

-9.74
8 WNFREPRW

1.86

-11.46

-9.6
9 RRFREPRF

1.43

-11.01

-9.58
10 RRFREERW

1.56

-11.04

-9.48
11 RNWREERW

1.84

-11.23

-9.39
12 RPWREPRF

2.15

-11.51

-9.36
13 RNFRPPRW

1.41

-10.64

-9.23
14 RNFRERRW

2.05

-11.01

-8.96
15 RRFREPRW

1.43

-10.26

-8.83
16 RNFREPRF

1.59

-10.32

-8.73
17 RNFREERW

2.01

-10.73

-8.72
18 RRWREERW

1.9

-10.62

-8.72
19 RRWREPRF

2.39

-11.06

-8.67
20 RNLREPRW

1.61

-10.25

-8.64
21 WNWREPRW

2.07

-10.56

-8.49
22 WRFREPRW

2.61

-11.06

-8.45
23 RNWREPRF

2.19

-10.63

-8.44
24 RRLREPRW

1.8

-10.21

-8.41
25 RNWRPPRW

2.2

-10.35

-8.15
26 RNLREPRF

1.73

-9.66

-7.93
27 RNWREPRW

1.77

-9.65

-7.88
28 RNLREERW

1.78

-9.15

-7.37
29 WRWREPRW

1.92

-9.17

-7.25
30 RNFREPRW

1.76

-8.42

-6.66

 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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