Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-20.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 1.826 ΔGbinding -2.880
TOTAL
 -1.054
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.270
Van der Waals -4.494 Backbone clash 0.178
Electrostatics 0.355 Helix dipole 0.000
Solvation Polar 4.481 Water bridges -0.010
Solvation Hyd -6.568 Disulfide 0.000
VdW clashes 0.993 Electrost. Kon 0.396
Entropy sc 0.809 Part.cov.bonds 0.000
Entropy mc

3.439

 ΔGstability

12.600
       

Predicted ligand sequences for model [LSB3_2A08-20.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).
 
  LSB3_2A08-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFKKGRRR 0.0
2 RPYKKGRRR 0.01
3 RPPKKGRRR 0.03
4 RPFKHGRRR 0.05
5 RPYKHGRRR 0.06
6 RPPKHGRRR 0.08
7 RPWKKGRRR 0.12
8 RPFKRGRRR 0.16
9 RPYKRGRRR 0.17
10 RPWKHGRRR 0.17
11 RPPKRGRRR 0.19
12 RDFKKGRRR 0.21
13 RDYKKGRRR 0.22
14 RPFKNGRRR 0.23
15 RDPKKGRRR 0.24
16 RPYKNGRRR 0.24
17 RPPKNGRRR 0.26
18 RDFKHGRRR 0.26
19 RPWKRGRRR 0.27
20 RDYKHGRRR 0.27
21 RDPKHGRRR 0.29
22 RDWKKGRRR 0.33
23 RPWKNGRRR 0.35
24 RDFKRGRRR 0.37
25 RDYKRGRRR 0.38
26 RDWKHGRRR 0.38
27 RDPKRGRRR 0.4
28 RPFKKGKRR 0.41
29 RPYKKGKRR 0.42
30 RDFKNGRRR 0.44
31 RPPKKGKRR 0.44
32 RDYKNGRRR 0.45
33 RPFKHGKRR 0.46
34 RPYKHGKRR 0.47
35 RDPKNGRRR 0.47
36 RDWKRGRRR 0.48
37 RVFKKGRRR 0.49
38 RPPKHGKRR 0.49
39 RVYKKGRRR 0.5
40 RVPKKGRRR 0.52
41 RPWKKGKRR 0.53
42 RVFKHGRRR 0.54
43 RVYKHGRRR 0.55
44 RDWKNGRRR 0.56
45 RPFKRGKRR 0.57
46 RVPKHGRRR 0.57
47 RPWKHGKRR 0.58
48 RPYKRGKRR 0.58
49 RPPKRGKRR 0.6
50 RVWKKGRRR 0.61
51 RDFKKGKRR 0.62
52 RDYKKGKRR 0.63
53 RPFKNGKRR 0.64
54 RVFKRGRRR 0.65
55 RDPKKGKRR 0.65
56 RPYKNGKRR 0.65
57 RVYKRGRRR 0.66
58 RVWKHGRRR 0.66
59 RPPKNGKRR 0.67
60 RDFKHGKRR 0.67
61 RPWKRGKRR 0.68
62 RVPKRGRRR 0.68
63 RDYKHGKRR 0.68
64 RDPKHGKRR 0.7
65 RVFKNGRRR 0.72
66 RVYKNGRRR 0.73
67 RDWKKGKRR 0.74
68 RVPKNGRRR 0.75
69 RPWKNGKRR 0.76
70 RVWKRGRRR 0.76
71 RDFKRGKRR 0.78
72 RDWKHGKRR 0.79
73 RDYKRGKRR 0.79
74 RDPKRGKRR 0.81
75 RVWKNGRRR 0.84
76 RDFKNGKRR 0.85
77 RDYKNGKRR 0.86
78 RDPKNGKRR 0.88
79 RDWKRGKRR 0.89
80 RVFKKGKRR 0.9
81 RVYKKGKRR 0.91
82 RVPKKGKRR 0.93
83 RVFKHGKRR 0.95
84 RVYKHGKRR 0.96
85 RDWKNGKRR 0.97
86 RVPKHGKRR 0.98
87 RVWKKGKRR 1.02
88 RVFKRGKRR 1.06
89 RVWKHGKRR 1.07
90 RVYKRGKRR 1.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPYKHGRRR

2.45

-14.34

-11.89
2 RPPKHGRRR

2.15

-13.97

-11.82
3 RPYKNGRRR

2.17

-13.6

-11.43
4 RPFKNGRRR

2.64

-13.88

-11.24
5 RPPKRGRRR

3.53

-14.22

-10.69
6 RPPKNGRRR

2.15

-12.75

-10.6
7 RPFKRGRRR

2.52

-13.06

-10.54
8 RPFKHGRRR

2.23

-12.66

-10.43
9 RPWKKGRRR

3.4

-13.77

-10.37
10 RPPKKGRRR

3.31

-13.65

-10.34
11 RDWKKGRRR

2.3

-12.51

-10.21
12 RPWKHGRRR

3.22

-13.43

-10.21
13 RDFKKGRRR

2.2

-12.38

-10.18
14 RPWKNGRRR

2.2

-12.32

-10.12
15 RPWKRGRRR

3.35

-13.47

-10.12
16 RDYKHGRRR

2.32

-12.38

-10.06
17 RPFKKGRRR

3.69

-13.56

-9.87
18 RPYKKGRRR

4.02

-13.72

-9.7
19 RDPKRGRRR

3.03

-12.69

-9.66
20 RPYKRGRRR

3.92

-13.53

-9.61
21 RDFKHGRRR

3.37

-12.9

-9.53
22 RDFKRGRRR

2.5

-11.98

-9.48
23 RDYKKGRRR

3.93

-13.17

-9.24
24 RDPKKGRRR

3.36

-12.51

-9.15
25 RDYKRGRRR

2.81

-11.91

-9.1
26 RPFKKGKRR

3.19

-12.05

-8.86
27 RDPKHGRRR

2.86

-11.5

-8.64
28 RPYKKGKRR

3.24

-11.67

-8.43
29 RDFKNGRRR

3.55

-11.01

-7.46
30 RDWKHGRRR

3.65

-10.97

-7.32

 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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