Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-30.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
 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 0.426 ΔGbinding -3.261
TOTAL
 -2.835
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.298
Van der Waals -3.487 Backbone clash 0.008
Electrostatics -0.082 Helix dipole 0.000
Solvation Polar 3.831 Water bridges -0.012
Solvation Hyd -4.306 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon -0.102
Entropy sc 0.800 Part.cov.bonds 0.000
Entropy mc

2.287

 ΔGstability

7.331
       

Predicted ligand sequences for model [SHO1_2VKN-30.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-30.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDLRENRPF 0.0
2 RDLRENRPM 0.01
3 RDLRENRPY 0.03
4 RDLRDNRPF 0.07
5 RDLRDNRPM 0.09
6 RDLRPNRPF 0.1
7 RDLRDNRPY 0.1
8 RDLRPNRPM 0.11
9 RDLRPNRPY 0.12
10 RDLREKRPF 0.25
11 RDLREKRPM 0.27
12 RDLREKRPY 0.28
13 RDLRDKRPF 0.33
14 RDLRDKRPM 0.34
15 RDLRENRRF 0.35
16 RDLRDKRPY 0.35
17 RDLRPKRPF 0.35
18 RDLRPKRPM 0.36
19 RDLRENRRM 0.37
20 RDLRPKRPY 0.37
21 RDLRENRRY 0.38
22 RDLREDRPF 0.39
23 RDLRENRKF 0.41
24 RDLREDRPM 0.41
25 RDLRENRKM 0.42
26 RDLREDRPY 0.42
27 RDLRDNRRF 0.43
28 RDLRENRKY 0.44
29 RDLRDNRRM 0.44
30 RDLRPNRRF 0.45
31 RDLRDNRRY 0.45
32 RDLRPNRRM 0.46
33 RDLRDDRPF 0.47
34 RDLRPNRRY 0.47
35 RDLRDNRKF 0.48
36 RDLRDDRPM 0.48
37 RDLRPDRPF 0.49
38 RRLRENRPF 0.49
39 RDLRDDRPY 0.49
40 RDLRDNRKM 0.5
41 RDLRPDRPM 0.5
42 RDLRPNRKF 0.5
43 RDLRDNRKY 0.51
44 RRLRENRPM 0.51
45 RDLRPDRPY 0.52
46 RDLRPNRKM 0.52
47 RRLRENRPY 0.52
48 RDLRPNRKY 0.53
49 RRLRDNRPF 0.57
50 RRLRDNRPM 0.58
51 RRLRDNRPY 0.59
52 RRLRPNRPF 0.59
53 RRLRPNRPM 0.6
54 RDLREKRRF 0.6
55 RRLRPNRPY 0.61
56 RDLREKRRM 0.62
57 RDLREKRRY 0.63
58 RDLREKRKF 0.66
59 RDLREKRKM 0.68
60 RDLRDKRRF 0.68
61 RDLREKRKY 0.69
62 RDLRDKRRM 0.69
63 RDLRPKRRF 0.7
64 RDLRDKRRY 0.71
65 RDLRPKRRM 0.71
66 RDLRDKRKF 0.73
67 RDLRPKRRY 0.73
68 RRLREKRPF 0.74
69 RDLRDKRKM 0.75
70 RDLREDRRF 0.75
71 RRLREKRPM 0.76
72 RDLRDKRKY 0.76
73 RDLRPKRKF 0.76
74 RDLREDRRM 0.76
75 RRLREKRPY 0.77
76 RDLRPKRKM 0.77
77 RDLREDRRY 0.77
78 RDLRPKRKY 0.78
79 RDLREDRKF 0.8
80 RRLRDKRPF 0.82
81 RDLREDRKM 0.82
82 RDLRDDRRF 0.82
83 RRLRDKRPM 0.83
84 RDLRDDRRM 0.83
85 RDLREDRKY 0.83
86 RDLRPDRRF 0.84
87 RRLRPKRPF 0.84
88 RDLRPDRRM 0.85
89 RRLRDKRPY 0.85
90 RRLRPKRPM 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDLRENRKM

1.24

-12.91

-11.67
2 RDLRPKRPF

1.58

-12.14

-10.56
3 RDLRENRPM

1.56

-11.96

-10.4
4 RDLRENRRM

1.51

-11.77

-10.26
5 RDLREDRPY

1.89

-12.14

-10.25
6 RDLRENRPF

1.86

-12.09

-10.23
7 RDLRDKRPF

1.5

-11.7

-10.2
8 RDLRDNRRM

1.79

-11.99

-10.2
9 RDLRDNRPM

1.53

-11.71

-10.18
10 RDLREDRPM

1.6

-11.76

-10.16
11 RDLRENRRF

1.59

-11.7

-10.11
12 RDLRENRKF

1.47

-11.56

-10.09
13 RDLREKRPM

1.69

-11.75

-10.06
14 RDLRDKRPY

1.58

-11.62

-10.04
15 RDLREDRPF

1.62

-11.64

-10.02
16 RDLRPKRPM

1.73

-11.65

-9.92
17 RDLREKRPF

1.84

-11.75

-9.91
18 RDLRPNRPM

2.1

-11.75

-9.65
19 RDLRDKRPM

1.68

-11.3

-9.62
20 RDLRDNRRF

1.64

-11.25

-9.61
21 RDLRDNRPF

1.98

-11.56

-9.58
22 RDLRPKRPY

1.88

-11.41

-9.53
23 RDLREKRPY

1.93

-11.44

-9.51
24 RDLRENRKY

1.58

-11.01

-9.43
25 RDLRPNRPY

1.9

-11.3

-9.4
26 RDLRDNRPY

1.72

-10.97

-9.25
27 RDLRPNRRF

1.93

-11.09

-9.16
28 RDLRPNRPF

1.6

-10.61

-9.01
29 RDLRENRRY

1.68

-10.29

-8.61
30 RDLRENRPY

1.84

-10.13

-8.29

 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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