Predicted ligand sequences


ADAN-name: 2BFX3.PDB (view again the scoring matrix)

PDB name: [2BFX.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 4.767 ΔGbinding -36.890
TOTAL
 -32.123
Backbone Hb -3.688 Cis_bond 0.000
Sidechain Hb -10.325 Torsional clash 1.245
Van der Waals -19.917 Backbone clash 1.480
Electrostatics -5.093 Helix dipole -0.008
Solvation Polar 18.743 Water bridges -0.303
Solvation Hyd -29.747 Disulfide 0.000
VdW clashes 1.512 Electrost. Kon -4.548
Entropy sc 9.756 Part.cov.bonds 0.000
Entropy mc

5.481

 ΔGstability

-54.108
       

Predicted ligand sequences for template [2BFX3.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).
 
  2BFX3.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMWMDRFFGpWyMEsLEsMF 0.0
2 FRWMDRFFGpWyMEsLEsMF 0.0
3 FRWMDRFFGsWyMEsLEsMF 0.02
4 FMWMDRFFGsWyMEsLEsMF 0.02
5 FMWMDRFFGpWyMEsLEsLF 0.03
6 FRWMDRFFGpWyMEsLEsLF 0.03
7 FRWMDRFFGsWyMEsLEsLF 0.04
8 FMWMDRFFGsWyMEsLEsLF 0.04
9 FRWMDRFFGpWyMEELEsMF 0.08
10 FRWMDRFFGIWyMEsLEsMF 0.08
11 FMWMDRFFGpWyMEELEsMF 0.08
12 FMWMDRFFGIWyMEsLEsMF 0.08
13 FRWMDRFFGsWyMEELEsMF 0.1
14 FRFMDRFFGpWyMEsLEsMF 0.1
15 FMWMDRFFGsWyMEELEsMF 0.1
16 FMFMDRFFGpWyMEsLEsMF 0.1
17 FMWMDRFFGpWyMEELEsLF 0.1
18 FMFMDRFFGsWyMEsLEsMF 0.11
19 FMWMDRFFGIWyMEsLEsLF 0.11
20 FRWMDRFFGpWyMEELEsLF 0.11
21 FRWMDRFFGIWyMEsLEsLF 0.11
22 FRFMDRFFGsWyMEsLEsMF 0.12
23 FRWMDRFFGpWyMEsLEsMW 0.12
24 FMWMDRFFGsWyMEELEsLF 0.12
25 FRWMDRFFGsWyMEELEsLF 0.12
26 FMWMDRFFGpWyMEsLEsMW 0.12
27 FRFMDRFFGpWyMEsLEsLF 0.12
28 FMFMDRFFGpWyMEsLEsLF 0.12
29 FRWMDRFFGsWyMEsLEsMW 0.13
30 FMWMDRFFGsWyMEsLEsMW 0.13
31 FRFMDRFFGsWyMEsLEsLF 0.14
32 FMFMDRFFGsWyMEsLEsLF 0.14
33 FRWMDRFFGpWyMEsLEsLW 0.14
34 FMWMDRFFGpWyMEsLEsLW 0.14
35 FKWMDRFFGpWyMEsLEsMF 0.15
36 FMWMDRFFGpWyMPsLEsMF 0.16
37 FRWMDRFFGpWMMEsLEsMF 0.16
38 FMyMDRFFGpWyMEsLEsMF 0.16
39 FRyMDRFFGpWyMEsLEsMF 0.16
40 FRWMDRFFGpWyMPsLEsMF 0.16
41 FRWMDRFFGsWyMEsLEsLW 0.16
42 FRWMDRFFGIWyMEELEsMF 0.16
43 FMWMDRFFGIWyMEELEsMF 0.16
44 FMWMDRFFGpWMMEsLEsMF 0.16
45 FMWMDRFFGsWyMEsLEsLW 0.16
46 FRWEDRFFGpWyMEsLEsMF 0.17
47 FKWMDRFFGsWyMEsLEsMF 0.17
48 FMWEDRFFGpWyMEsLEsMF 0.17
49 FMWMDRFFGsWMMEsLEsMF 0.18
50 FRFMDRFFGpWyMEELEsMF 0.18
51 FMWMDRFFGsWyMPsLEsMF 0.18
52 FRyMDRFFGsWyMEsLEsMF 0.18
53 FRWMDRFFGsWyMPsLEsMF 0.18
54 FMWEDRFFGsWyMEsLEsMF 0.18
55 FRWMDRFFGsWMMEsLEsMF 0.18
56 FMFMDRFFGpWyMEELEsMF 0.18
57 FMWMDRFFGIWyMEELEsLF 0.18
58 FMyMDRFFGsWyMEsLEsMF 0.18
59 FRFMDRFFGIWyMEsLEsMF 0.18
60 FMFMDRFFGIWyMEsLEsMF 0.18
61 FKWMDRFFGpWyMEsLEsLF 0.18
62 FRWMDRFFGIWyMEELEsLF 0.19
63 FMWMDRFFGpWMMEsLEsLF 0.19
64 FRFMDRFFGsWyMEELEsMF 0.19
65 FMWEDRFFGpWyMEsLEsLF 0.19
66 FKWMDRFFGsWyMEsLEsLF 0.19
67 FRWEDRFFGsWyMEsLEsMF 0.19
68 FMWMDRFFGpWyMEELEsMW 0.19
69 FRWMDRFFGpWMMEsLEsLF 0.19
70 FRWEDRFFGpWyMEsLEsLF 0.19
71 FMWMDRFFGpWyMPsLEsLF 0.19
72 FMFMDRFFGsWyMEELEsMF 0.19
73 FMyMDRFFGpWyMEsLEsLF 0.19
74 FRyMDRFFGpWyMEsLEsLF 0.19
75 FRWMDRFFGpWyMPsLEsLF 0.19
76 FRWMDRFFGsWyMPsLEsLF 0.2
77 FRFMDRFFGpWyMEELEsLF 0.2
78 FRWMDRFFGsWMMEsLEsLF 0.2
79 FRWMDRFFGpWyMEELEsMW 0.2
80 FMFMDRFFGpWyMEELEsLF 0.2
81 FMyMDRFFGsWyMEsLEsLF 0.2
82 FRFMDRFFGIWyMEsLEsLF 0.2
83 FMFMDRFFGIWyMEsLEsLF 0.2
84 FMWMDRFFGsWMMEsLEsLF 0.2
85 FMWMDRFFGsWyMPsLEsLF 0.2
86 FRWMDRFFGIWyMEsLEsMW 0.2
87 FRyMDRFFGsWyMEsLEsLF 0.2
88 FMWMDRFFGIWyMEsLEsMW 0.2
89 FRWMDRFFGsWyMEELEsMW 0.21
90 FMWEDRFFGsWyMEsLEsLF 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRWMDRFFGpWyMEsLEsMW

5.21

-42.21

-37.0
2 FRWMDRFFGsWyMEELEsMF

4.93

-41.78

-36.85
3 FRWMDRFFGsWyMEsLEsMW

4.68

-41.4

-36.72
4 FMWMDRFFGpWyMEsLEsMW

6.37

-41.84

-35.47
5 FMFMDRFFGsWyMEsLEsMF

5.48

-40.77

-35.29
6 FMFMDRFFGpWyMEsLEsMF

5.63

-40.12

-34.49
7 FRWMDRFFGsWyMEsLEsMF

7.13

-41.06

-33.93
8 FMWMDRFFGsWyMEsLEsLF

6.87

-40.79

-33.92
9 FMWMDRFFGpWyMEELEsLF

4.63

-37.87

-33.24
10 FMWMDRFFGsWyMEELEsMF

6.1

-37.38

-31.28
11 FRWMDRFFGsWyMEELEsLF

6.5

-37.69

-31.19
12 FRWMDRFFGIWyMEsLEsLF

5.98

-36.56

-30.58
13 FRWMDRFFGpWyMEELEsMF

6.88

-37.37

-30.49
14 FMFMDRFFGpWyMEsLEsLF

7.66

-38.14

-30.48
15 FMWMDRFFGpWyMEsLEsMF

7.05

-37.47

-30.42
16 FRWMDRFFGpWyMEsLEsLF

6.83

-37.2

-30.37
17 FMWMDRFFGpWyMEELEsMF

6.87

-37.16

-30.29
18 FRWMDRFFGpWyMEsLEsMF

7.78

-37.91

-30.13
19 FMWMDRFFGsWyMEELEsLF

6.51

-36.48

-29.97
20 FMWMDRFFGIWyMEsLEsLF

6.29

-35.92

-29.63
21 FRFMDRFFGpWyMEsLEsLF

7.35

-36.82

-29.47
22 FMWMDRFFGsWyMEsLEsMW

7.05

-36.48

-29.43
23 FRFMDRFFGsWyMEsLEsMF

7.16

-36.18

-29.02
24 FMWMDRFFGpWyMEsLEsLF

6.22

-35.01

-28.79
25 FRWMDRFFGpWyMEELEsLF

7.37

-36.11

-28.74
26 FRWMDRFFGsWyMEsLEsLF

5.06

-33.78

-28.72
27 FMWMDRFFGsWyMEsLEsMF

5.68

-33.8

-28.12
28 FMWMDRFFGIWyMEsLEsMF

8.03

-36.06

-28.03
29 FRWMDRFFGIWyMEsLEsMF

5.45

-33.39

-27.94
30 FRFMDRFFGpWyMEsLEsMF

7.34

-34.96

-27.62

 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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