Predicted ligand sequences


ADAN-name: 2BFY3.PDB (view again the scoring matrix)

PDB name: [2BFY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P I D V D R M Y G T I D S P K L E E L F
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
 A
A
A
A
A
G
A
A
 A 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 4.913 ΔGbinding -30.931
TOTAL
 -26.018
Backbone Hb -2.763 Cis_bond 0.000
Sidechain Hb -3.812 Torsional clash 1.749
Van der Waals -18.470 Backbone clash 0.319
Electrostatics -3.448 Helix dipole 0.002
Solvation Polar 16.499 Water bridges -0.496
Solvation Hyd -27.978 Disulfide 0.000
VdW clashes 1.451 Electrost. Kon -3.265
Entropy sc 6.659 Part.cov.bonds 0.000
Entropy mc

2.939

 ΔGstability

-35.262
       

Predicted ligand sequences for template [2BFY3.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).
 
  2BFY3.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRyEsWMFGQWEMEDyDDMM 0.0
2 FRyEsWMFGQWEMEDyDDMF 0.0
3 FRyEsWMFGQWDMEDyDDMM 0.02
4 FRyEsWMFGQWDMEDyDDMF 0.02
5 FRyEsWMFGQWEMEDyDDML 0.08
6 FRyEsWMFGQWsMEDyDDMF 0.08
7 FRyEsWMFGQWsMEDyDDMM 0.08
8 FRyEsWMFGQWDMEDyDDML 0.1
9 FRyEsWMFGQWEMEDFDDMF 0.11
10 FRyEsWMFGQWEMEDFDDMM 0.11
11 FRyEsWMFGsWEMEDyDDMF 0.11
12 FRyEsWMFGsWEMEDyDDMM 0.11
13 FRyEsWMFGQWEMEDyCDMM 0.12
14 FRyEsWMFGQWEMEDyCDMF 0.12
15 FRyEsWMFGQWDMEDFDDMF 0.13
16 FRyEsWMFGQWDMEDFDDMM 0.13
17 FRyEsWMFGsWDMEDyDDMF 0.13
18 FRyEsWMFGsWDMEDyDDMM 0.13
19 FRyEsWMFGQWDMEDyCDMM 0.14
20 FRyEsWMFGQWDMEDyCDMF 0.14
21 FRyEsWMFGQWsMEDyDDML 0.16
22 FRyEsWMFGyWEMEDyDDMF 0.17
23 FRyEsWMFGyWEMEDyDDMM 0.17
24 FRyEsWMFGQWEMEDysDMM 0.17
25 FRyEsWMFGQWEMEDysDMF 0.17
26 FRyWsWMFGQWEMEDyDDMM 0.17
27 FRyWsWMFGQWEMEDyDDMF 0.17
28 FRyEsWMFGQWsMEDFDDMM 0.18
29 FRyWsWMFGQWDMEDyDDMM 0.19
30 FRyWsWMFGQWDMEDyDDMF 0.19
31 FRyEsWMFGsWsMEDyDDMM 0.19
32 FRyEsWMFGsWsMEDyDDMF 0.19
33 FRyEsWMFGyWDMEDyDDMF 0.19
34 FRyEsWMFGyWDMEDyDDMM 0.19
35 FRyEsWMFGQWEMEDFDDML 0.19
36 FRyEsWMFGQWsMEDFDDMF 0.19
37 FRyEsWMFGQWEMEDyDDLF 0.19
38 FRyEsWMFGQWEMEDyDDLM 0.19
39 FRyEsWMFGsWEMEDyDDML 0.19
40 FRyEsWMFGQWDMEDysDMM 0.19
41 FRyEsWMFGQWDMEDysDMF 0.19
42 FRyMsWMFGQWEMEDyDDMF 0.2
43 FRyMsWMFGQWEMEDyDDMM 0.2
44 FRyEsWMFGQWEMEDyCDML 0.2
45 FRyEsWMFGQWsMEDyCDMF 0.2
46 FRyEsWMFGQWsMEDyCDMM 0.2
47 FRyEsWMFGQWESEDyDDMM 0.2
48 FRyEsWMFGQWDMEDyDDLM 0.21
49 FRyEsWMFGQWDMEDyDDLF 0.21
50 FRyEsWMFGQWDMEDFDDML 0.21
51 FRyEsWMFGQWESEDyDDMF 0.21
52 FRyEsWMFGsWDMEDyDDML 0.21
53 FRyMsWMFGQWDMEDyDDMF 0.22
54 FRyMsWMFGQWDMEDyDDMM 0.22
55 FRyEsWMFGQWDMEDyCDML 0.22
56 FRyEsWMFGsWEMEDFDDMM 0.22
57 FRyEsWMFGsWEMEDFDDMF 0.22
58 FRyEsWMFGQWDSEDyDDMM 0.22
59 FRyEsWMFGQWEMEDFCDMF 0.22
60 FRyEsWMFGQWEMEDFCDMM 0.22
61 FRyEsWMFGQWDSEDyDDMF 0.23
62 FRyEsWMFGQWEMEDYDDMM 0.23
63 FRyEsWMFGsWEMEDyCDMF 0.23
64 FRyEsWMFGsWEMEDyCDMM 0.23
65 FRyEsWMFGQWDMEDFCDMF 0.24
66 FRyEsWMFGQWDMEDFCDMM 0.24
67 FRyEsWMFGsWDMEDFDDMM 0.24
68 FRyEsWMFGsWDMEDFDDMF 0.24
69 FRyEsWMFGQWEMEDYDDMF 0.24
70 FRyEsWMFGsWDMEDyCDMF 0.25
71 FRyEsWMFGsWDMEDyCDMM 0.25
72 FRyEsWMFGyWEMEDyDDML 0.25
73 FRyEsWMFGQWEMEDysDML 0.25
74 FRyWsWMFGQWEMEDyDDML 0.25
75 FRyEsWMFGQWsMEDysDMF 0.25
76 FRyEsWMFGQWsMEDysDMM 0.25
77 FRyEsWMFGyWsMEDyDDMM 0.25
78 FRyEsWMFGyWsMEDyDDMF 0.25
79 FRyWsWMFGQWsMEDyDDMF 0.25
80 FRyWsWMFGQWsMEDyDDMM 0.25
81 FRyEsWMFGQWDMEDYDDMM 0.26
82 FRyEsWMFGQWDMEDYDDMF 0.26
83 FRyEsWMFGQWsMEDyDDLF 0.27
84 FRyEsWMFGQWsMEDyDDLM 0.27
85 FRyWsWMFGQWDMEDyDDML 0.27
86 FRyEsWMFGsWsMEDyDDML 0.27
87 FRyEsWMFGyWDMEDyDDML 0.27
88 FRyEsWMFGQWsMEDFDDML 0.27
89 FRyEsWMFGQWEMEDyDDLL 0.27
90 FRyEsWMFGQWDMEDysDML 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRyEsWMFGQWDMEDFDDMF

4.73

-42.68

-37.95
2 FRyWsWMFGQWDMEDyDDMF

4.85

-41.68

-36.83
3 FRyEsWMFGQWEMEDFDDMM

5.27

-41.92

-36.65
4 FRyEsWMFGyWEMEDyDDMM

4.96

-41.06

-36.1
5 FRyEsWMFGsWDMEDyDDMF

4.75

-40.72

-35.97
6 FRyEsWMFGQWEMEDyDDMF

4.75

-40.49

-35.74
7 FRyEsWMFGQWEMEDFDDMF

5.41

-40.92

-35.51
8 FRyEsWMFGQWsMEDyDDMM

6.17

-40.97

-34.8
9 FRyEsWMFGQWDMEDyCDMF

4.7

-39.26

-34.56
10 FRyEsWMFGQWDMEDyDDMM

5.1

-39.44

-34.34
11 FRyEsWMFGsWEMEDyDDMF

5.35

-39.29

-33.94
12 FRyEsWMFGQWDMEDyDDML

5.28

-38.83

-33.55
13 FRyEsWMFGQWDMEDyCDMM

5.74

-39.22

-33.48
14 FRyEsWMFGQWsMEDyDDMF

5.52

-38.81

-33.29
15 FRyEsWMFGQWEMEDyCDMF

5.07

-38.21

-33.14
16 FRyEsWMFGQWEMEDysDMF

8.17

-41.15

-32.98
17 FRyEsWMFGQWEMEDyCDMM

5.72

-38.68

-32.96
18 FRyEsWMFGsWDMEDyDDMM

5.03

-37.74

-32.71
19 FRyEsWMFGyWEMEDyDDMF

7.49

-40.15

-32.66
20 FRyEsWMFGQWDMEDFDDMM

4.94

-37.51

-32.57
21 FRyWsWMFGQWDMEDyDDMM

7.38

-39.51

-32.13
22 FRyWsWMFGQWEMEDyDDMM

4.75

-36.82

-32.07
23 FRyEsWMFGQWEMEDyDDMM

6.05

-37.79

-31.74
24 FRyWsWMFGQWEMEDyDDMF

8.58

-40.26

-31.68
25 FRyEsWMFGQWsMEDFDDMM

8.19

-39.49

-31.3
26 FRyEsWMFGQWEMEDyDDML

6.64

-37.05

-30.41
27 FRyEsWMFGQWsMEDyDDML

8.49

-38.49

-30.0
28 FRyEsWMFGQWDMEDyDDMF

8.44

-38.1

-29.66
29 FRyEsWMFGsWEMEDyDDMM

9.13

-38.79

-29.66
30 FRyEsWMFGQWEMEDysDMM

8.52

-37.06

-28.54

 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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