Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-13.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 0.497 ΔGbinding -3.002
TOTAL
 -2.505
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.559
Van der Waals -3.244 Backbone clash 0.005
Electrostatics 0.076 Helix dipole 0.000
Solvation Polar 3.526 Water bridges -0.087
Solvation Hyd -4.336 Disulfide 0.000
VdW clashes 0.039 Electrost. Kon 0.059
Entropy sc 1.051 Part.cov.bonds 0.000
Entropy mc

3.179

 ΔGstability

22.119
       

Predicted ligand sequences for model [RVS167_FMK-SSH-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RNYIIYWK 0.0
2 RNRIIYWK 0.0
3 RNRIMYWK 0.08
4 RNYIMYWK 0.08
5 RNRIKYWK 0.22
6 RNYIKYWK 0.23
7 RDRIIYWK 0.25
8 RNRIIYFK 0.25
9 RNYIIYFK 0.25
10 RDYIIYWK 0.26
11 RNYIIYWW 0.27
12 RNRIIYWW 0.27
13 RNYIIYWH 0.28
14 RNRIIYWH 0.28
15 RDRIMYWK 0.33
16 RNRIMYFK 0.33
17 RDYIMYWK 0.33
18 RNYIMYFK 0.33
19 RNRIIPWK 0.34
20 RNRIMYWW 0.34
21 RNYIIPWK 0.35
22 RNRIMYWH 0.35
23 RNYIMYWW 0.35
24 RNYIMYWH 0.36
25 REYIIYWK 0.39
26 RERIIYWK 0.39
27 RNYLIYWK 0.4
28 RNRLIYWK 0.4
29 RNYIMPWK 0.42
30 RNRIMPWK 0.42
31 RERIMYWK 0.46
32 RNYIKYFK 0.47
33 RNRIKYFK 0.47
34 RDRIKYWK 0.47
35 REYIMYWK 0.47
36 RDYIKYWK 0.48
37 RNYLMYWK 0.48
38 RNRLMYWK 0.48
39 YNRIIYWK 0.49
40 YNYIIYWK 0.49
41 RNRIKYWW 0.49
42 RNYIKYWW 0.49
43 RNRIKYWH 0.5
44 RDRIIYFK 0.5
45 RNYIKYWH 0.5
46 RDYIIYFK 0.51
47 RNRIIYFW 0.51
48 RDRIIYWW 0.52
49 RDYIIYWW 0.52
50 RNRIIYFH 0.52
51 RNYIIYFW 0.52
52 RDRIIYWH 0.53
53 RDYIIYWH 0.53
54 RNYIIYFH 0.53
55 RNRIKPWK 0.56
56 RNYIKPWK 0.57
57 YNYIMYWK 0.57
58 YNRIMYWK 0.57
59 RDRIMYFK 0.58
60 RDYIMYFK 0.58
61 RNRIIPFK 0.59
62 RNYIIPFK 0.59
63 RDRIMYWW 0.59
64 RNRIMYFW 0.59
65 RDRIIPWK 0.59
66 RNYIMYFW 0.59
67 RDYIIPWK 0.6
68 RDRIMYWH 0.6
69 RNRIMYFH 0.6
70 RDYIMYWW 0.6
71 RNYIMYFH 0.6
72 RNYIIPWW 0.61
73 RDYIMYWH 0.61
74 REYIKYWK 0.61
75 RERIKYWK 0.61
76 RNRIIPWW 0.61
77 RNRIIPWH 0.62
78 RNYIIPWH 0.62
79 RNRLKYWK 0.62
80 RNYLKYWK 0.63
81 REYIIYFK 0.64
82 RERIIYFK 0.64
83 RDRLIYWK 0.65
84 RNYLIYFK 0.65
85 RERIIYWW 0.65
86 RNRLIYFK 0.65
87 REYIIYWW 0.66
88 RERIIYWH 0.66
89 RDYLIYWK 0.66
90 REYIIYWH 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDRIIYWK

2.36

-13.82

-11.46
2 RERIIYWK

2.31

-13.75

-11.44
3 RDRIMYWK

2.39

-13.14

-10.75
4 RNRLIYWK

2.89

-13.34

-10.45
5 RNRIIYWH

2.38

-12.06

-9.68
6 RNRIIYWK

2.45

-12.04

-9.59
7 RNRIIYFK

2.95

-12.53

-9.58
8 RNRIIPWK

3.37

-12.52

-9.15
9 RDYIMYWK

2.23

-11.35

-9.12
10 RNYIIYWW

2.45

-10.98

-8.53
11 RNYLIYWK

2.41

-10.94

-8.53
12 RNYIMYWH

2.33

-10.82

-8.49
13 RNRIKYWK

2.89

-11.35

-8.46
14 RDYIIYWK

2.32

-10.6

-8.28
15 RNYIIYFK

2.43

-10.69

-8.26
16 RNRIIYWW

2.45

-10.57

-8.12
17 RNYIIPWK

2.94

-11.01

-8.07
18 REYIIYWK

2.47

-10.28

-7.81
19 RNYIIYWH

2.25

-9.94

-7.69
20 RNRIMYWK

2.49

-10.05

-7.56
21 RNYIMYFK

2.27

-9.74

-7.47
22 RNYIIYWK

2.36

-9.77

-7.41
23 RNYIMYWK

2.49

-9.74

-7.25
24 RNRIMYWH

2.54

-9.62

-7.08
25 RNRIMYFK

2.92

-9.87

-6.95
26 RNYIMYWW

4.1

-10.98

-6.88
27 RNRIMYWW

2.61

-9.47

-6.86
28 RNYIMPWK

2.84

-9.47

-6.63
29 RNRIMPWK

2.81

-9.33

-6.52
30 RNYIKYWK

2.86

-8.79

-5.93

 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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