Predicted ligand sequences


ADAN-name: 2B052.PDB (view again the scoring matrix)

PDB name: [2B05.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R A I s L P
position 1 2 3 4 5 6
poly-Ala 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 2.965 ΔGbinding -15.220
TOTAL
 -12.255
Backbone Hb -2.980 Cis_bond 0.000
Sidechain Hb -7.400 Torsional clash 0.060
Van der Waals -8.210 Backbone clash 0.480
Electrostatics -4.080 Helix dipole -0.020
Solvation Polar 13.960 Water bridges -0.610
Solvation Hyd -10.700 Disulfide 0.000
VdW clashes 0.220 Electrost. Kon -2.480
Entropy sc 5.220 Part.cov.bonds 0.000
Entropy mc

1.810

 ΔGstability

-56.550
       

Predicted ligand sequences for template [2B052.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).
 
  2B052.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPWEYW 0.0
2 FPWEMW 0.06
3 FPIEYW 0.07
4 FPIEMW 0.13
5 FPWEYF 0.15
6 FAWEYW 0.19
7 FPWEMF 0.21
8 RPWEYW 0.21
9 FPIEYF 0.22
10 FCWEYW 0.25
11 LPWEYW 0.26
12 FAIEYW 0.26
13 FAWEMW 0.26
14 FPsEYW 0.26
15 RPWEMW 0.27
16 RPIEYW 0.28
17 FPIEMF 0.28
18 FPWsYW 0.29
19 FCWEMW 0.32
20 FPsEMW 0.32
21 FCIEYW 0.32
22 LPWEMW 0.32
23 FAIEMW 0.32
24 LPIEYW 0.33
25 FAWEYF 0.34
26 RPIEMW 0.34
27 FPWsMW 0.35
28 FPIsYW 0.35
29 RPWEYF 0.36
30 FPWEYP 0.38
31 FCIEMW 0.38
32 LPIEMW 0.39
33 RAWEYW 0.4
34 FAIEYF 0.41
35 FAWEMF 0.41
36 FPsEYF 0.41
37 LPWEYF 0.41
38 FCWEYF 0.41
39 FPIsMW 0.42
40 RPIEYF 0.43
41 RPWEMF 0.43
42 FPWEMP 0.44
43 FPWsYF 0.44
44 FAsEYW 0.45
45 LAWEYW 0.45
46 FPIEYP 0.45
47 RCWEYW 0.46
48 FPsEMF 0.47
49 RPsEYW 0.47
50 RAIEYW 0.47
51 FCIEYF 0.47
52 FCWEMF 0.47
53 FPWpYW 0.47
54 LPWEMF 0.47
55 RAWEMW 0.47
56 FAWsYW 0.48
57 LPIEYF 0.48
58 FAIEMF 0.48
59 RPIEMF 0.49
60 FPWsMF 0.5
61 RPWsYW 0.5
62 FCsEYW 0.51
63 FPIEMP 0.51
64 LCWEYW 0.51
65 FPIsYF 0.51
66 FAsEMW 0.51
67 LAIEYW 0.52
68 LPsEYW 0.52
69 LAWEMW 0.52
70 FPWpMW 0.53
71 RCIEYW 0.53
72 RPsEMW 0.53
73 RCWEMW 0.53
74 FPssYW 0.54
75 LPIEMF 0.54
76 RAIEMW 0.54
77 FPIpYW 0.54
78 FCIEMF 0.54
79 FAWsMW 0.54
80 FCWsYW 0.54
81 FAIsYW 0.55
82 LPWsYW 0.55
83 RAWEYF 0.56
84 RPWsMW 0.56
85 FAWEYP 0.57
86 LCWEMW 0.57
87 FPIsMF 0.57
88 FCsEMW 0.57
89 RPIsYW 0.57
90 LCIEYW 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPWEMF

3.21

-15.78

-12.57
2 FPWsMW

3.41

-15.81

-12.4
3 FAWEMW

2.48

-14.67

-12.19
4 LPWEMW

3.44

-15.58

-12.14
5 RPWEMW

3.28

-15.24

-11.96
6 FPWEYF

3.53

-15.34

-11.81
7 FPWsYW

3.44

-15.21

-11.77
8 RPIEMW

3.55

-15.03

-11.48
9 FPIEMF

3.39

-14.86

-11.47
10 LPWEYW

3.44

-14.87

-11.43
11 RPWEYF

3.91

-15.32

-11.41
12 FPWEYP

3.37

-14.68

-11.31
13 FPWEMW

3.62

-14.86

-11.24
14 FPIsYW

3.68

-14.86

-11.18
15 FPsEMW

3.36

-14.46

-11.1
16 FPIEMW

4.04

-15.09

-11.05
17 FAIEMW

2.94

-13.97

-11.03
18 FPsEYW

3.65

-14.61

-10.96
19 FPWEYW

3.63

-14.52

-10.89
20 LPIEYW

3.83

-14.72

-10.89
21 RPIEYW

3.47

-14.3

-10.83
22 FCWEMW

2.78

-13.49

-10.71
23 FPIEYW

3.77

-14.48

-10.71
24 FPIEYF

4.34

-14.99

-10.65
25 FAWEYF

2.68

-13.18

-10.5
26 FCIEYW

3.09

-13.52

-10.43
27 FAIEYW

3.0

-13.4

-10.4
28 RPWEYW

3.83

-14.13

-10.3
29 FCWEYW

3.06

-13.05

-9.99
30 FAWEYW

2.82

-12.45

-9.63

 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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