Predicted ligand sequences


ADAN-name: 2CE92.PDB (view again the scoring matrix)

PDB name: [2CE9.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M W R P W
position 1 2 3 4 5
poly-Ala 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 4.997 ΔGbinding -18.719
TOTAL
 -13.722
Backbone Hb -2.625 Cis_bond 0.000
Sidechain Hb -4.150 Torsional clash 0.731
Van der Waals -9.967 Backbone clash 0.051
Electrostatics -4.054 Helix dipole 0.000
Solvation Polar 9.982 Water bridges -0.005
Solvation Hyd -15.114 Disulfide 0.000
VdW clashes 0.134 Electrost. Kon -1.432
Entropy sc 5.390 Part.cov.bonds 0.000
Entropy mc

2.392

 ΔGstability

6.249
       

Predicted ligand sequences for template [2CE92.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).
 
  2CE92.PDB  

(data)
# Predicted Sequences Value Calculate
1 FWFFW 0.0
2 FWFWW 0.13
3 FWMFW 0.52
4 WWFFW 0.52
5 FWFMW 0.56
6 FWYFW 0.61
7 FWMWW 0.65
8 WWFWW 0.65
9 MWFFW 0.66
10 yWFFW 0.66
11 YWFFW 0.67
12 FWYWW 0.74
13 MWFWW 0.79
14 YWFWW 0.8
15 yWFWW 0.8
16 FWEFW 0.94
17 FWFFF 0.99
18 WWMFW 1.03
19 FWMMW 1.07
20 FWEWW 1.08
21 WWFMW 1.08
22 FWFWF 1.12
23 WWYFW 1.13
24 WWMWW 1.16
25 FWYMW 1.17
26 MWMFW 1.17
27 yWMFW 1.18
28 YWMFW 1.19
29 yWFMW 1.22
30 MWFMW 1.22
31 YWFMW 1.23
32 WWYWW 1.26
33 MWYFW 1.27
34 yWYFW 1.27
35 YWYFW 1.28
36 yWMWW 1.31
37 MWMWW 1.31
38 YWMWW 1.32
39 MWYWW 1.4
40 yWYWW 1.41
41 YWYWW 1.42
42 WWEFW 1.46
43 FWMFF 1.5
44 WWFFF 1.5
45 FWEMW 1.5
46 FWFMF 1.54
47 WWMMW 1.59
48 WWEWW 1.59
49 MWEFW 1.6
50 FWYFF 1.6
51 yWEFW 1.61
52 YWEFW 1.62
53 FWMWF 1.63
54 WWFWF 1.63
55 MWFFF 1.64
56 yWFFF 1.65
57 YWFFF 1.66
58 WWYMW 1.69
59 MWMMW 1.73
60 MWEWW 1.73
61 FWYWF 1.73
62 yWEWW 1.74
63 yWMMW 1.74
64 YWEWW 1.75
65 YWMMW 1.75
66 MWFWF 1.78
67 yWFWF 1.78
68 YWFWF 1.79
69 MWYMW 1.83
70 yWYMW 1.83
71 YWYMW 1.84
72 FWEFF 1.93
73 WWEMW 2.02
74 WWMFF 2.02
75 FWMMF 2.06
76 FWEWF 2.06
77 WWFMF 2.06
78 WWYFF 2.11
79 WWMWF 2.15
80 MWMFF 2.16
81 MWEMW 2.16
82 yWMFF 2.16
83 FWYMF 2.16
84 yWEMW 2.17
85 YWMFF 2.17
86 YWEMW 2.18
87 MWFMF 2.2
88 yWFMF 2.21
89 YWFMF 2.22
90 WWYWF 2.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWMWW

2.84

-17.52

-14.68
2 FWFFF

3.01

-16.84

-13.83
3 yWMFW

3.04

-16.43

-13.39
4 MWMFW

2.91

-16.27

-13.36
5 FWMMW

2.89

-15.75

-12.86
6 FWEFW

2.72

-14.96

-12.24
7 FWEWW

2.88

-15.07

-12.19
8 FWMFW

3.06

-15.1

-12.04
9 YWMFW

4.01

-15.8

-11.79
10 WWFMW

3.01

-14.63

-11.62
11 FWYMW

3.75

-14.71

-10.96
12 WWYFW

3.41

-13.95

-10.54
13 WWMWW

3.2

-13.53

-10.33
14 yWFFW

3.88

-13.51

-9.63
15 MWFFW

3.37

-12.49

-9.12
16 FWFWF

4.97

-13.94

-8.97
17 WWFFW

4.59

-13.26

-8.67
18 WWFWW

3.16

-11.77

-8.61
19 FWFFW

4.66

-12.95

-8.29
20 FWFMW

5.01

-12.9

-7.89
21 FWFWW

3.34

-10.93

-7.59
22 yWFWW

3.44

-10.75

-7.31
23 YWFWW

3.23

-10.42

-7.19
24 FWYWW

5.11

-11.22

-6.11
25 FWYFW

3.75

-9.57

-5.82
26 MWFWW

3.64

-9.46

-5.82
27 WWMFW

3.57

-9.02

-5.45
28 yWFMW

4.14

-9.36

-5.22
29 MWFMW

4.64

-8.81

-4.17
30 YWFFW

4.96

-8.84

-3.88

 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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