Predicted ligand sequences


ADAN-name: 2FF42.PDB (view again the scoring matrix)

PDB name: [2FF4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L E V p E A D
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    

(Help)

Intraclash 2.642 ΔGbinding -8.278
TOTAL
 -5.636
Backbone Hb -3.900 Cis_bond 0.000
Sidechain Hb -11.450 Torsional clash 3.085
Van der Waals -8.124 Backbone clash 1.926
Electrostatics -2.132 Helix dipole 0.000
Solvation Polar 16.715 Water bridges -0.816
Solvation Hyd -7.781 Disulfide 0.000
VdW clashes 0.336 Electrost. Kon -1.379
Entropy sc 1.922 Part.cov.bonds 0.000
Entropy mc

5.246

 ΔGstability

-45.159
       

Predicted ligand sequences for template [2FF42.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).
 
  2FF42.PDB  

(data)
# Predicted Sequences Value Calculate
1 PMMssMRs 0.0
2 PMMssMRM 0.01
3 PMyssMRs 0.17
4 PMWssMRs 0.17
5 PMyssMRM 0.19
6 PMWssMRM 0.19
7 PMMssFRs 0.2
8 PMMssFRM 0.21
9 PMMssLRs 0.28
10 PMMssLRM 0.3
11 PMMEsMRs 0.36
12 PMMEsMRM 0.37
13 PMyssFRs 0.37
14 PMWssFRs 0.37
15 PMyssFRM 0.38
16 PMWssFRM 0.38
17 RMMssMRs 0.43
18 RMMssMRM 0.44
19 PMMPsMRs 0.45
20 PMyssLRs 0.46
21 PMWssLRs 0.46
22 PMMPsMRM 0.46
23 PMyssLRM 0.47
24 PMWssLRM 0.47
25 PMMssMRT 0.49
26 PMyEsMRs 0.53
27 PMWEsMRs 0.53
28 PMyEsMRM 0.55
29 PMWEsMRM 0.55
30 PMMEsFRs 0.55
31 PMMEsFRM 0.57
32 RMWssMRs 0.6
33 RMyssMRs 0.6
34 RMWssMRM 0.61
35 RMyssMRM 0.61
36 RMMssFRs 0.62
37 PMWPsMRs 0.62
38 PMyPsMRs 0.62
39 PMyPsMRM 0.63
40 PMWPsMRM 0.63
41 PMMEsLRs 0.64
42 RMMssFRM 0.64
43 PMMPsFRs 0.64
44 PMMEsLRM 0.65
45 PMMPsFRM 0.65
46 PMyssMRT 0.67
47 PMWssMRT 0.67
48 PMMssFRT 0.69
49 RMMssLRs 0.71
50 RMMssLRM 0.72
51 PMMPsLRs 0.73
52 PMWEsFRs 0.73
53 PMyEsFRs 0.73
54 PMMPsLRM 0.74
55 PMyEsFRM 0.74
56 PMWEsFRM 0.74
57 RMMEsMRs 0.78
58 PMMssLRT 0.78
59 RMyssFRs 0.8
60 RMWssFRs 0.8
61 RMMEsMRM 0.8
62 RMyssFRM 0.81
63 PMWPsFRs 0.81
64 PMWEsLRs 0.81
65 PMyPsFRs 0.81
66 PMyEsLRs 0.81
67 RMWssFRM 0.81
68 PMWEsLRM 0.83
69 PMWPsFRM 0.83
70 PMyEsLRM 0.83
71 PMyPsFRM 0.83
72 PMMEsMRT 0.85
73 PMyssFRT 0.86
74 PMWssFRT 0.86
75 RMMPsMRs 0.87
76 RMMPsMRM 0.89
77 RMWssLRs 0.89
78 RMyssLRs 0.89
79 RMWssLRM 0.9
80 RMyssLRM 0.9
81 PMWPsLRs 0.9
82 PMyPsLRs 0.9
83 RMMssMRT 0.92
84 PMWPsLRM 0.92
85 PMyPsLRM 0.92
86 PMMPsMRT 0.94
87 PMyssLRT 0.95
88 PMWssLRT 0.95
89 RMWEsMRs 0.96
90 RMyEsMRs 0.96
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PMMssFRM

2.45

-13.86

-11.41
2 PMMssLRs

3.51

-14.66

-11.15
3 PMWssLRs

3.49

-14.62

-11.13
4 PMMssMRs

3.5

-14.41

-10.91
5 PMMssFRs

4.06

-14.68

-10.62
6 PMMEsMRM

2.47

-12.99

-10.52
7 PMWssLRM

2.4

-12.9

-10.5
8 PMMPsMRM

3.43

-13.86

-10.43
9 PMMEsMRs

2.45

-12.86

-10.41
10 PMyEsMRM

2.45

-12.84

-10.39
11 PMyssLRs

3.87

-14.15

-10.28
12 PMyssMRs

2.39

-12.57

-10.18
13 PMMPsMRs

3.39

-13.49

-10.1
14 PMyssFRM

2.49

-12.53

-10.04
15 PMMEsFRs

3.41

-13.38

-9.97
16 PMMssMRM

3.53

-13.49

-9.96
17 PMWEsMRM

2.49

-12.44

-9.95
18 PMWEsMRs

3.5

-13.42

-9.92
19 PMMssLRM

2.58

-12.49

-9.91
20 PMyEsMRs

2.45

-12.33

-9.88
21 PMWssFRM

2.42

-12.24

-9.82
22 PMMssMRT

2.41

-11.93

-9.52
23 PMyssMRM

2.43

-11.87

-9.44
24 PMWssMRM

2.43

-11.79

-9.36
25 PMWssFRs

3.04

-12.16

-9.12
26 RMMssMRs

3.39

-12.43

-9.04
27 PMWssMRs

3.41

-12.44

-9.03
28 PMyssFRs

3.42

-11.68

-8.26
29 RMMssMRM

2.43

-10.42

-7.99
30 PMyssLRM

3.44

-10.87

-7.43

 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