Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-19.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    

(Help)

Intraclash 1.627 ΔGbinding -0.762
TOTAL
 0.865
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.275
Van der Waals -4.686 Backbone clash 0.001
Electrostatics 0.151 Helix dipole 0.000
Solvation Polar 4.536 Water bridges -0.009
Solvation Hyd -6.562 Disulfide 0.000
VdW clashes 1.544 Electrost. Kon 0.163
Entropy sc 0.850 Part.cov.bonds 0.000
Entropy mc

4.251

 ΔGstability

28.586
       

Predicted ligand sequences for model [RVS167_FMK-SSH-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFMHGILF 0.0
2 RPFMHGRLF 0.02
3 RPFMHGELF 0.04
4 RPWMHGILF 0.06
5 RPYMHGILF 0.06
6 RPYMHGRLF 0.08
7 RPWMHGRLF 0.08
8 RPYMHGELF 0.09
9 RPFMRGILF 0.09
10 RPWMHGELF 0.1
11 RPFMRGRLF 0.11
12 RPFMRGELF 0.13
13 RPFPHGILF 0.14
14 RPFMKGILF 0.14
15 RPYMRGILF 0.15
16 RPWMRGILF 0.15
17 RPFMKGRLF 0.16
18 RPFPHGRLF 0.16
19 RPYMRGRLF 0.17
20 RPWMRGRLF 0.17
21 RPFMKGELF 0.17
22 RPFPHGELF 0.18
23 RPYMRGELF 0.18
24 RPYMKGILF 0.19
25 RPWMRGELF 0.19
26 RPWMKGILF 0.2
27 RPWPHGILF 0.2
28 RPYPHGILF 0.2
29 RPYMKGRLF 0.21
30 RPWPHGRLF 0.22
31 RPYPHGRLF 0.22
32 RPWMKGRLF 0.22
33 RPFPRGILF 0.23
34 RPYMKGELF 0.23
35 RPWMKGELF 0.23
36 RPYPHGELF 0.23
37 RPWPHGELF 0.24
38 RPFPRGRLF 0.26
39 RPFPRGELF 0.27
40 RPFPKGILF 0.28
41 RPWPRGILF 0.29
42 RPFKHGILF 0.29
43 RPYPRGILF 0.29
44 RPFPKGRLF 0.3
45 RPFKHGRLF 0.31
46 RPFPKGELF 0.31
47 RPYPRGRLF 0.31
48 RPYPRGELF 0.32
49 RPWPRGRLF 0.32
50 RPFKHGELF 0.32
51 RPWPRGELF 0.33
52 RPYPKGILF 0.33
53 RPYKHGILF 0.34
54 RPWPKGILF 0.34
55 RPYPKGRLF 0.35
56 RPWKHGILF 0.35
57 RPYKHGRLF 0.36
58 RPWPKGRLF 0.36
59 RPWPKGELF 0.37
60 RPWKHGRLF 0.37
61 RPYPKGELF 0.37
62 RPYKHGELF 0.38
63 RPWKHGELF 0.38
64 RPFKRGILF 0.38
65 RPFKRGRLF 0.4
66 RPFKRGELF 0.41
67 RPFKKGILF 0.42
68 RPYKRGILF 0.43
69 RPWKRGILF 0.44
70 RPFKKGRLF 0.44
71 RPWKRGRLF 0.46
72 RPFKKGELF 0.46
73 RPYKRGRLF 0.46
74 RPYKRGELF 0.47
75 RPWKRGELF 0.47
76 RPWKKGILF 0.48
77 RPYKKGILF 0.48
78 RRFMHGILF 0.48
79 RPYKKGRLF 0.5
80 RPWKKGRLF 0.5
81 RPFMHGILR 0.5
82 RRFMHGRLF 0.51
83 RPYKKGELF 0.51
84 RPFMHGRLR 0.52
85 RRFMHGELF 0.52
86 RPWKKGELF 0.52
87 RPFMHGELR 0.53
88 RRYMHGILF 0.54
89 RRWMHGILF 0.55
90 RPYMHGILR 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPFMRGELF

2.98

-7.41

-4.43
2 RPFPHGELF

3.69

-7.66

-3.97
3 RPYMRGELF

3.61

-7.57

-3.96
4 RPWMRGRLF

3.41

-7.33

-3.92
5 RPWMRGELF

3.71

-7.51

-3.8
6 RPFMHGELF

3.24

-6.87

-3.63
7 RPWMRGILF

3.42

-7.03

-3.61
8 RPWMKGILF

3.37

-6.89

-3.52
9 RPFPHGILF

3.17

-6.68

-3.51
10 RPYMRGRLF

3.34

-6.8

-3.46
11 RPFMHGRLF

3.42

-6.78

-3.36
12 RPFMKGELF

3.29

-6.24

-2.95
13 RPFMKGRLF

3.63

-6.49

-2.86
14 RPFMRGILF

3.23

-5.8

-2.57
15 RPYMRGILF

3.43

-5.91

-2.48
16 RPWMHGRLF

3.68

-5.97

-2.29
17 RPFPHGRLF

3.24

-5.48

-2.24
18 RPFMRGRLF

3.59

-5.77

-2.18
19 RPYMHGILF

3.02

-5.01

-1.99
20 RPYMKGILF

3.56

-5.51

-1.95
21 RPWPHGRLF

3.07

-4.94

-1.87
22 RPYMHGELF

3.81

-5.59

-1.78
23 RPWPHGILF

2.94

-4.7

-1.76
24 RPYMHGRLF

2.96

-4.57

-1.61
25 RPFMKGILF

3.07

-4.56

-1.49
26 RPYPHGILF

3.31

-4.79

-1.48
27 RPFMHGILF

3.03

-4.49

-1.46
28 RPYMKGRLF

2.99

-4.28

-1.29
29 RPWMHGILF

2.95

-4.12

-1.17
30 RPWMHGELF

3.05

-4.09

-1.04

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER