Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-6.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 10
poly-Ala
A
 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 1.953 ΔGbinding -0.689
TOTAL
 1.264
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.599
Van der Waals -3.469 Backbone clash 0.007
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 3.515 Water bridges -0.016
Solvation Hyd -4.808 Disulfide 0.000
VdW clashes 0.500 Electrost. Kon -0.032
Entropy sc 0.491 Part.cov.bonds 0.000
Entropy mc

2.798

 ΔGstability

28.798
       

Predicted ligand sequences for model [RVS167_FMK-SSH-6.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-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYRMPRWPPR 0.0
2 RYRMPRWPPK 0.02
3 RYRMPRIPPR 0.08
4 RYRMPRIPPK 0.1
5 RYRMPRWHPR 0.14
6 RYRMPRWPPH 0.15
7 RYRMPRWRPR 0.15
8 RYRMPRWHPK 0.16
9 RYRMPRWRPK 0.17
10 RYHMPRWPPR 0.17
11 RYHMPRWPPK 0.19
12 RYRMPRIRPR 0.23
13 RYIMPRWPPR 0.23
14 RYRMPRIPPH 0.23
15 RYRMPRIHPR 0.23
16 RYIMPRWPPK 0.24
17 RYRMPRIHPK 0.24
18 RYHMPRIPPR 0.25
19 RYRMPRIRPK 0.25
20 RYHMPRIPPK 0.27
21 RYRMPRWPMR 0.27
22 RYRMPRWPMK 0.29
23 RYRMPRWHPH 0.29
24 RYRMPRWRPH 0.3
25 RYIMPRIPPR 0.31
26 RDRMPRWPPR 0.31
27 RYHMPRWPPH 0.32
28 RYHMPRWRPR 0.32
29 RDRMPRWPPK 0.32
30 RYHMPRWHPR 0.32
31 RYHMPRWHPK 0.33
32 RYIMPRIPPK 0.33
33 RYHMPRWRPK 0.34
34 RYRMPRWPRR 0.35
35 RYRMPRIPMR 0.36
36 RYRMPRWPRK 0.37
37 RYIMPRWHPR 0.37
38 RYIMPRWPPH 0.37
39 RYRMPRIPMK 0.37
40 RYRMPRIHPH 0.37
41 RYIMPRWRPR 0.38
42 RYRMPRIRPH 0.38
43 RYIMPRWHPK 0.39
44 RDRMPRIPPR 0.39
45 RYHMPRIPPH 0.4
46 RYIMPRWRPK 0.4
47 RYHMPRIHPR 0.4
48 RDRMPRIPPK 0.4
49 RYHMPRIRPR 0.41
50 RYHMPRIHPK 0.42
51 RYHMPRIRPK 0.42
52 RYRMPRWHMR 0.42
53 RYRMPRWPMH 0.42
54 RPRMPRWPPR 0.43
55 RYRMPRWRMR 0.43
56 RYRMPRIPRR 0.43
57 RYRMPRWRMK 0.44
58 RYRMPRWHMK 0.44
59 RPRMPRWPPK 0.45
60 RDRMPRWHPR 0.45
61 RYRMPRIPRK 0.45
62 RYIMPRIPPH 0.45
63 RDRMPRWPPH 0.45
64 RYHMPRWPMR 0.45
65 RYIMPRIHPR 0.45
66 RYIMPRIRPR 0.46
67 RYHMPRWHPH 0.46
68 RYHMPRWPMK 0.46
69 RDRMPRWRPR 0.46
70 RDRMPRWHPK 0.47
71 RYHMPRWRPH 0.47
72 RYIMPRIHPK 0.47
73 RDRMPRWRPK 0.47
74 RYIMPRIRPK 0.48
75 RDHMPRWPPR 0.48
76 RYRVPRWPPR 0.48
77 RYRMPRMPPR 0.49
78 RDHMPRWPPK 0.49
79 RYRVPRWPPK 0.49
80 RYIMPRWPMR 0.5
81 RYRMPRWHRR 0.5
82 RYRMPRWPRH 0.5
83 RYRMPRIPMH 0.5
84 RYRMPRIHMR 0.5
85 RYRMPRWRRR 0.51
86 RYRMPRWHRK 0.51
87 RPRMPRIPPR 0.51
88 RYRMPRIRMR 0.51
89 RYRMPRMPPK 0.51
90 RYRMPRWRRK 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RYHMPRWHPR

2.42

-10.76

-8.34
2 RYRMPRWHPR

2.39

-10.65

-8.26
3 RYRMPRIPPR

2.94

-11.11

-8.17
4 RYRMPRWHPK

1.89

-9.99

-8.1
5 RYRMPRIHPR

2.38

-10.27

-7.89
6 RYRMPRWRPK

2.25

-9.97

-7.72
7 RDRMPRWPPR

3.25

-10.93

-7.68
8 RYRMPRWHPH

2.12

-9.71

-7.59
9 RYIMPRIPPR

1.95

-9.37

-7.42
10 RYRMPRWPPR

2.55

-9.93

-7.38
11 RYRMPRWRPH

2.28

-9.64

-7.36
12 RYRMPRIRPK

2.15

-9.44

-7.29
13 RYHMPRIPPK

2.06

-9.34

-7.28
14 RYRMPRWPMK

2.2

-9.26

-7.06
15 RYHMPRIPPR

2.44

-9.49

-7.05
16 RYRMPRIRPR

2.18

-9.2

-7.02
17 RYRMPRIHPK

2.66

-9.55

-6.89
18 RYRMPRWRPR

1.84

-8.66

-6.82
19 RYHMPRWRPR

1.9

-8.71

-6.81
20 RYHMPRWPPK

2.24

-9.04

-6.8
21 RYRMPRWPMR

2.23

-8.94

-6.71
22 RYHMPRWPPH

2.12

-8.72

-6.6
23 RYIMPRWPPR

2.11

-8.66

-6.55
24 RYRMPRIPPK

1.51

-7.9

-6.39
25 RYRMPRWPPK

2.29

-8.66

-6.37
26 RYHMPRWPPR

2.07

-8.43

-6.36
27 RYRMPRWPPH

2.05

-8.38

-6.33
28 RDRMPRWPPK

2.77

-8.88

-6.11
29 RYIMPRWPPK

2.11

-8.17

-6.06
30 RYRMPRIPPH

1.91

-7.56

-5.65

 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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