Predicted ligand sequences


ADAN-name: 1WBP2.PDB (view again the scoring matrix)

PDB name: [1WBP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R E R S P T R
position 1 2 3 4 5 6 7
poly-Ala
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 5.171 ΔGbinding -9.109
TOTAL
 -3.938
Backbone Hb -7.025 Cis_bond 0.000
Sidechain Hb -7.113 Torsional clash 1.206
Van der Waals -8.615 Backbone clash 0.510
Electrostatics -5.969 Helix dipole -0.081
Solvation Polar 14.978 Water bridges -0.161
Solvation Hyd -8.589 Disulfide 0.000
VdW clashes 2.797 Electrost. Kon -2.246
Entropy sc 5.390 Part.cov.bonds 0.000
Entropy mc

6.317

 ΔGstability

52.142
       

Predicted ligand sequences for template [1WBP2.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).
 
  1WBP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 NWMRMGK 0.0
2 NWMRMMK 0.01
3 NWMRMWK 0.03
4 NWMMMGK 0.03
5 NWMMMMK 0.04
6 NWMMMWK 0.06
7 NWMRMFK 0.08
8 NWMFMGK 0.08
9 NWMYMGK 0.08
10 NWMYMMK 0.09
11 NWMFMMK 0.09
12 NWMFMWK 0.11
13 NWMMMFK 0.11
14 NWMYMWK 0.11
15 NWMYMFK 0.16
16 NWRRMGK 0.16
17 NWMFMFK 0.16
18 NWRRMMK 0.17
19 NWRMMGK 0.18
20 NWRRMWK 0.18
21 NWRMMMK 0.19
22 NWRMMWK 0.21
23 NWRRMFK 0.23
24 NWRFMGK 0.24
25 NWRYMGK 0.24
26 NWRFMMK 0.25
27 NWRYMMK 0.25
28 NWRYMWK 0.26
29 NWRFMWK 0.26
30 NWRMMFK 0.26
31 NWMRMGM 0.3
32 NWRYMFK 0.31
33 NWRFMFK 0.31
34 NWMRMMM 0.31
35 NWMRMWM 0.33
36 NWMMMGM 0.33
37 NWMMMMM 0.34
38 NWMMMWM 0.36
39 NWMRMFM 0.38
40 NWMFMGM 0.38
41 NWMYMGM 0.38
42 NWMYMMM 0.39
43 NWMFMMM 0.39
44 NWMFMWM 0.41
45 NWMMMFM 0.41
46 NWMYMWM 0.41
47 NWMRMGL 0.45
48 NWMYMFM 0.46
49 NWMRMML 0.46
50 NWMRMGH 0.46
51 NWRRMGM 0.46
52 NWMFMFM 0.46
53 NWMRMMH 0.47
54 NWRRMMM 0.47
55 NWRMMGM 0.48
56 NWRRMWM 0.48
57 NWMRMWL 0.48
58 NWMMMGL 0.48
59 NWMMMML 0.49
60 NWMRMWH 0.49
61 NWMMMGH 0.49
62 NWRMMMM 0.5
63 NWMMMMH 0.5
64 NWMMMWL 0.51
65 NWMMMWH 0.51
66 NWRMMWM 0.51
67 NWRRMFM 0.53
68 NWMRMFL 0.53
69 NWMYMGL 0.53
70 NWMFMGL 0.53
71 NWRFMGM 0.54
72 NWMYMML 0.54
73 NWMRMFH 0.54
74 NWMYMGH 0.54
75 NWMFMGH 0.54
76 NWMFMML 0.54
77 NWRYMGM 0.54
78 NWMYMMH 0.55
79 NWMFMMH 0.55
80 NWRFMMM 0.55
81 NWRYMMM 0.55
82 NWRYMWM 0.56
83 NWMFMWL 0.56
84 NWMMMFH 0.56
85 NWMMMFL 0.56
86 NWMYMWL 0.56
87 NWRFMWM 0.56
88 NWRMMFM 0.56
89 NWMFMWH 0.57
90 NWMYMWH 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NWMRMGK

2.92

-10.0

-7.08
2 NWMRMMK

3.3

-10.26

-6.96
3 NWMMMGK

2.5

-9.4

-6.9
4 NWRRMMK

3.49

-10.15

-6.66
5 NWRRMGK

3.36

-9.86

-6.5
6 NWMFMGK

3.06

-9.47

-6.41
7 NWMYMFK

2.88

-9.22

-6.34
8 NWMYMMK

2.69

-9.0

-6.31
9 NWMYMGK

2.81

-8.91

-6.1
10 NWMMMMK

3.02

-9.05

-6.03
11 NWMRMFK

3.97

-9.99

-6.02
12 NWMYMWK

3.0

-8.91

-5.91
13 NWMMMWK

2.8

-8.39

-5.59
14 NWRYMGK

3.43

-9.02

-5.59
15 NWRMMGK

3.4

-8.95

-5.55
16 NWMMMFK

3.27

-8.79

-5.52
17 NWRRMWK

3.47

-8.96

-5.49
18 NWRYMWK

3.58

-8.98

-5.4
19 NWMFMMK

3.53

-8.93

-5.4
20 NWMFMWK

3.56

-8.92

-5.36
21 NWRYMMK

3.49

-8.83

-5.34
22 NWRMMMK

3.6

-8.87

-5.27
23 NWRFMWK

3.71

-8.92

-5.21
24 NWMRMWK

3.81

-8.9

-5.09
25 NWRMMWK

3.56

-8.6

-5.04
26 NWRRMFK

3.5

-8.43

-4.93
27 NWRMMFK

3.75

-8.57

-4.82
28 NWMFMFK

3.99

-8.79

-4.8
29 NWRFMGK

4.33

-9.0

-4.67
30 NWRFMMK

3.94

-8.26

-4.32

 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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