Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-15.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 2.008 ΔGbinding -1.222
TOTAL
 0.786
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.641
Van der Waals -2.840 Backbone clash 0.101
Electrostatics 0.194 Helix dipole 0.000
Solvation Polar 2.567 Water bridges -0.003
Solvation Hyd -4.119 Disulfide 0.000
VdW clashes 0.050 Electrost. Kon 0.229
Entropy sc 0.417 Part.cov.bonds 0.000
Entropy mc

2.918

 ΔGstability

28.393
       

Predicted ligand sequences for model [RVS167_FMK-SSH-15.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).
 
  RVS167_FMK-SSH-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWFIIFKRM 0.0
2 RWWIIFKRM 0.0
3 RWYIIFKRM 0.02
4 RWFIKFKRM 0.04
5 RWWIKFKRM 0.04
6 RWYIKFKRM 0.06
7 RWFVIFKRM 0.09
8 RWFIIFRRM 0.09
9 RWWVIFKRM 0.09
10 RWWIIFRRM 0.1
11 RWYIIFRRM 0.11
12 RWYVIFKRM 0.11
13 RWWMIFKRM 0.13
14 RWFVKFKRM 0.13
15 RWFMIFKRM 0.13
16 RWWVKFKRM 0.13
17 RWFIKFRRM 0.13
18 RWWIIFLRM 0.14
19 RWWIKFRRM 0.14
20 RWFIIFLRM 0.14
21 RWYIKFRRM 0.15
22 RWYVKFKRM 0.15
23 RWYMIFKRM 0.15
24 RWYIIFLRM 0.16
25 RWFMKFKRM 0.17
26 RWWMKFKRM 0.17
27 RWFVIFRRM 0.18
28 RWFIKFLRM 0.18
29 RWWVIFRRM 0.18
30 RWWIKFLRM 0.18
31 RWFIVFKRM 0.19
32 RWYMKFKRM 0.19
33 RWYIKFLRM 0.2
34 RWWIVFKRM 0.2
35 RWYVIFRRM 0.2
36 RWYIVFKRM 0.21
37 RWFVKFRRM 0.22
38 RWWMIFRRM 0.22
39 RWFMIFRRM 0.22
40 RWWVKFRRM 0.23
41 RWFVIFLRM 0.23
42 RWWVIFLRM 0.23
43 RWYMIFRRM 0.24
44 RWYVKFRRM 0.24
45 RWYVIFLRM 0.25
46 RWFMKFRRM 0.26
47 RWWMKFRRM 0.26
48 RWWMIFLRM 0.27
49 RWWVKFLRM 0.27
50 RWFMIFLRM 0.27
51 RWFVKFLRM 0.27
52 RWFVVFKRM 0.28
53 RWYMKFRRM 0.28
54 RWFIVFRRM 0.29
55 RWWVVFKRM 0.29
56 RWWIVFRRM 0.29
57 RWYVKFLRM 0.29
58 RWYMIFLRM 0.29
59 RWYVVFKRM 0.3
60 RWFMKFLRM 0.31
61 RWYIVFRRM 0.31
62 RWWMKFLRM 0.31
63 RWWMVFKRM 0.32
64 RWFMVFKRM 0.32
65 RWFIVFLRM 0.33
66 RWYMKFLRM 0.33
67 RWYMVFKRM 0.34
68 RWWIVFLRM 0.34
69 RWYIVFLRM 0.35
70 RWFVVFRRM 0.38
71 RWWVVFRRM 0.38
72 RWFIIFKRL 0.4
73 RWYVVFRRM 0.4
74 RWFMVFRRM 0.41
75 RWWIIFKRL 0.41
76 RWYIIFKRL 0.42
77 RWWMVFRRM 0.42
78 RWFVVFLRM 0.42
79 RWYMVFRRM 0.43
80 RWWVVFLRM 0.43
81 RWFIKFKRL 0.44
82 RWYVVFLRM 0.44
83 RWWIKFKRL 0.45
84 RWWMVFLRM 0.46
85 RWYIKFKRL 0.46
86 RWFMVFLRM 0.46
87 RWYMVFLRM 0.48
88 RWFVIFKRL 0.49
89 RWFIIFRRL 0.49
90 RWWVIFKRL 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWFIIFRRM

3.09

-10.68

-7.59
2 RWFVIFKRM

2.9

-10.29

-7.39
3 RWWIKFLRM

3.25

-10.58

-7.33
4 RWYVIFKRM

3.01

-10.26

-7.25
5 RWFIIFKRM

2.91

-10.1

-7.19
6 RWFMIFKRM

3.5

-10.47

-6.97
7 RWWVIFKRM

2.72

-9.65

-6.93
8 RWWIIFRRM

2.87

-9.75

-6.88
9 RWFMKFKRM

2.35

-9.03

-6.68
10 RWYMIFKRM

2.84

-9.48

-6.64
11 RWWIIFLRM

3.37

-9.94

-6.57
12 RWFVIFRRM

2.45

-8.79

-6.34
13 RWFVKFKRM

3.33

-9.57

-6.24
14 RWWVKFKRM

2.96

-9.18

-6.22
15 RWYVKFKRM

2.44

-8.61

-6.17
16 RWFIKFRRM

3.48

-9.52

-6.04
17 RWWMIFKRM

3.21

-9.24

-6.03
18 RWYIKFKRM

2.59

-8.6

-6.01
19 RWYIKFRRM

2.82

-8.82

-6.0
20 RWWIKFKRM

2.97

-8.97

-6.0
21 RWWIKFRRM

2.6

-8.58

-5.98
22 RWYIIFRRM

2.49

-8.42

-5.93
23 RWFIKFLRM

2.9

-8.73

-5.83
24 RWWMKFKRM

2.89

-8.69

-5.8
25 RWFIKFKRM

2.74

-8.44

-5.7
26 RWYIIFKRM

3.3

-8.83

-5.53
27 RWYIIFLRM

2.54

-8.05

-5.51
28 RWWVIFRRM

3.8

-9.21

-5.41
29 RWWIIFKRM

3.15

-7.97

-4.82
30 RWFIIFLRM

3.28

-7.2

-3.92

 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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