Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-10.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 2.043 ΔGbinding -1.171
TOTAL
 0.872
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.335
Van der Waals -3.666 Backbone clash 0.019
Electrostatics 0.056 Helix dipole 0.000
Solvation Polar 3.943 Water bridges -0.049
Solvation Hyd -4.987 Disulfide 0.000
VdW clashes 0.193 Electrost. Kon 0.036
Entropy sc 0.463 Part.cov.bonds 0.000
Entropy mc

2.779

 ΔGstability

26.538
       

Predicted ligand sequences for model [RVS167_FMK-SSH-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKKCPMR 0.0
2 RPKKCPMK 0.04
3 RPRKCPMR 0.12
4 RPKKCPMH 0.12
5 RPWKCPMR 0.12
6 RPKKCWMR 0.12
7 RPRKCPMK 0.16
8 RPWKCPMK 0.16
9 RPKKCWMK 0.17
10 RPKKCRMR 0.19
11 RPKKCRMK 0.23
12 RPWKCPMH 0.23
13 RPRKCPMH 0.24
14 RPWKCWMR 0.24
15 RPRKCWMR 0.24
16 RPKKCWMH 0.24
17 RPWKCWMK 0.28
18 RPRKCWMK 0.29
19 RPKKCRMH 0.31
20 RPWKCRMR 0.31
21 RPRKCRMR 0.31
22 RPWKCRMK 0.35
23 RPRKCRMK 0.35
24 RPWKCWMH 0.36
25 RPRKCWMH 0.36
26 RPKKCPRR 0.38
27 RPKKCPRK 0.42
28 RPKRCPMR 0.43
29 RPWKCRMH 0.43
30 RPRKCRMH 0.43
31 RPKMCPMR 0.46
32 RPKRCPMK 0.47
33 RPWKCPRR 0.49
34 RPRKCPRR 0.5
35 RPKKCPRH 0.5
36 RPKKCWRR 0.5
37 RPKMCPMK 0.51
38 RPWKCPRK 0.54
39 RPRKCPRK 0.54
40 RPKRCPMH 0.55
41 RPRRCPMR 0.55
42 RPKRCWMR 0.55
43 RPWRCPMR 0.55
44 RPKKCWRK 0.55
45 RPKKCRRR 0.57
46 RPKMCPMH 0.58
47 RPRMCPMR 0.58
48 RPWMCPMR 0.58
49 RPRRCPMK 0.59
50 RPWRCPMK 0.59
51 RPKMCWMR 0.59
52 RPKRCWMK 0.6
53 RPWKCPRH 0.61
54 RPKKCRRK 0.61
55 RPRKCWRR 0.62
56 RPRKCPRH 0.62
57 RPKRCRMR 0.62
58 RPKKCWRH 0.62
59 RPWKCWRR 0.62
60 RPWMCPMK 0.62
61 RPKMCWMK 0.63
62 RPRMCPMK 0.63
63 RPWKCWRK 0.66
64 RPKMCRMR 0.66
65 RPRKCWRK 0.67
66 RPWRCPMH 0.67
67 RPKRCWMH 0.67
68 RPWRCWMR 0.67
69 RPRRCPMH 0.67
70 RPKRCRMK 0.67
71 RPRRCWMR 0.67
72 RPRKCRRR 0.69
73 RPWKCRRR 0.69
74 RPKKCRRH 0.69
75 RPWMCWMR 0.7
76 RPRMCPMH 0.7
77 RPWMCPMH 0.7
78 RPKMCRMK 0.7
79 RPKMCWMH 0.71
80 RPWRCWMK 0.71
81 RPRMCWMR 0.71
82 RPRRCWMK 0.72
83 RPRKCRRK 0.73
84 RPWKCRRK 0.73
85 RPRRCRMR 0.74
86 RPRKCWRH 0.74
87 RPWRCRMR 0.74
88 RPKRCRMH 0.74
89 RPWKCWRH 0.74
90 RPWMCWMK 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRKCRMR

2.34

-9.31

-6.97
2 RPKKCRMK

2.72

-9.27

-6.55
3 RPKKCRMH

2.27

-8.35

-6.08
4 RPRKCRMK

2.79

-8.53

-5.74
5 RPWKCRMH

2.27

-7.81

-5.54
6 RPRKCRMH

2.56

-8.06

-5.5
7 RPKKCRMR

2.32

-7.77

-5.45
8 RPRKCWMH

2.15

-7.49

-5.34
9 RPWKCRMR

2.89

-7.86

-4.97
10 RPKKCPRK

2.28

-7.18

-4.9
11 RPWKCWMR

2.29

-7.11

-4.82
12 RPKRCPMR

2.38

-7.06

-4.68
13 RPRKCPMH

2.34

-6.93

-4.59
14 RPRKCWMR

2.17

-6.75

-4.58
15 RPRKCPMR

2.18

-6.68

-4.5
16 RPKKCWMR

2.46

-6.9

-4.44
17 RPRKCWMK

2.45

-6.73

-4.28
18 RPWKCRMK

2.34

-6.56

-4.22
19 RPKKCPMH

2.25

-6.46

-4.21
20 RPRKCPMK

2.31

-6.51

-4.2
21 RPWKCWMK

2.34

-6.52

-4.18
22 RPWKCPMK

2.56

-6.53

-3.97
23 RPKKCPRR

2.38

-6.34

-3.96
24 RPKKCWMH

2.41

-6.28

-3.87
25 RPKKCPMK

2.56

-6.26

-3.7
26 RPWKCPMR

3.31

-6.95

-3.64
27 RPWKCWMH

2.26

-5.31

-3.05
28 RPKKCPMR

2.17

-4.98

-2.81
29 RPKKCWMK

2.23

-5.02

-2.79
30 RPWKCPMH

2.46

-4.61

-2.15

 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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