Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-29.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 1.103 ΔGbinding -0.935
TOTAL
 0.168
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.401
Van der Waals -3.863 Backbone clash 0.000
Electrostatics -0.030 Helix dipole 0.000
Solvation Polar 4.200 Water bridges 0.000
Solvation Hyd -5.731 Disulfide 0.000
VdW clashes 2.430 Electrost. Kon -0.090
Entropy sc 0.605 Part.cov.bonds 0.000
Entropy mc

2.419

 ΔGstability

38.152
       

Predicted ligand sequences for model [NBP2_1GCQ-29.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).
 
  NBP2_1GCQ-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYRPRRPYFH 0.0
2 HYRPRRPYFH 0.02
3 RYRLRRPYFH 0.07
4 HYRLRRPYFH 0.08
5 KYRPRRPYFH 0.08
6 RYRWRRPYFH 0.12
7 HYRWRRPYFH 0.14
8 RYRPRRRYFH 0.14
9 RYRPRRPYFR 0.15
10 RYRPRRPYFF 0.15
11 KYRLRRPYFH 0.15
12 HYRPRRRYFH 0.16
13 RYRPRRFYFH 0.16
14 HYRPRRPYFR 0.17
15 HYRPRRPYFF 0.17
16 HYRPRRFYFH 0.18
17 RYRLRRRYFH 0.2
18 RYRLRRPYFR 0.21
19 KYRWRRPYFH 0.21
20 RYRLRRPYFF 0.22
21 KYRPRRRYFH 0.22
22 HYRLRRRYFH 0.22
23 HYRLRRPYFR 0.23
24 RYRLRRFYFH 0.23
25 KYRPRRPYFR 0.23
26 KYRPRRPYFF 0.23
27 HYRLRRPYFF 0.24
28 HYRLRRFYFH 0.25
29 KYRPRRFYFH 0.25
30 RYRPRRPRFH 0.26
31 RYRWRRRYFH 0.26
32 RYRWRRPYFR 0.27
33 RYRWRRPYFF 0.28
34 HYRWRRRYFH 0.28
35 HYRPRRPRFH 0.28
36 HYRWRRPYFF 0.29
37 RYRPRRRYFR 0.29
38 KYRLRRRYFH 0.29
39 RYRPRRRYFF 0.29
40 HYRWRRPYFR 0.29
41 RYRWRRFYFH 0.29
42 KYRLRRPYFF 0.3
43 KYRLRRPYFR 0.3
44 KYRLRRFYFH 0.31
45 HYRPRRRYFR 0.31
46 HYRPRRRYFF 0.31
47 HYRWRRFYFH 0.31
48 RYRPRRFYFR 0.31
49 RYRLRRPRFH 0.32
50 RYRPRRFYFF 0.32
51 HYRPRRFYFF 0.33
52 HYRPRRFYFR 0.33
53 HYRLRRPRFH 0.34
54 KYRPRRPRFH 0.34
55 KYRWRRRYFH 0.34
56 KYRWRRPYFR 0.35
57 RYRLRRRYFR 0.35
58 RYRLRRRYFF 0.35
59 KYRWRRPYFF 0.36
60 KYRPRRRYFF 0.37
61 HYRLRRRYFF 0.37
62 HYRLRRRYFR 0.37
63 KYRPRRRYFR 0.37
64 KYRWRRFYFH 0.37
65 RYRLRRFYFR 0.38
66 RYRLRRFYFF 0.38
67 RYRWRRPRFH 0.38
68 RYRPRRRRFH 0.39
69 HYRLRRFYFR 0.4
70 HYRLRRFYFF 0.4
71 HYRWRRPRFH 0.4
72 RRRPRRPYFH 0.4
73 KYRPRRFYFR 0.4
74 KYRPRRFYFF 0.4
75 KYRLRRPRFH 0.4
76 RYRPRRPRFF 0.41
77 RYRPRRPRFR 0.41
78 RYRWRRRYFR 0.41
79 RYRWRRRYFF 0.41
80 HYRPRRRRFH 0.41
81 RYRPRRFRFH 0.42
82 HRRPRRPYFH 0.42
83 HYRPRRPRFR 0.42
84 HYRWRRRYFR 0.43
85 HYRWRRRYFF 0.43
86 HYRPRRPRFF 0.43
87 KYRLRRRYFR 0.43
88 HYRPRRFRFH 0.44
89 KYRLRRRYFF 0.44
90 RYRWRRFYFF 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KYRPRRRYFH

2.28

-19.66

-17.38
2 HYRWRRPYFH

1.76

-18.61

-16.85
3 HYRPRRPYFR

2.09

-18.7

-16.61
4 RYRLRRPYFH

1.76

-18.21

-16.45
5 HYRLRRPYFF

1.74

-18.07

-16.33
6 RYRLRRPYFF

1.56

-17.81

-16.25
7 HYRLRRPYFR

2.32

-18.55

-16.23
8 RYRPRRRYFH

2.11

-18.3

-16.19
9 HYRPRRRYFH

1.96

-18.12

-16.16
10 KYRPRRFYFH

1.58

-17.73

-16.15
11 RYRPRRPRFH

2.61

-18.68

-16.07
12 KYRPRRPYFH

1.73

-17.79

-16.06
13 HYRLRRPYFH

1.85

-17.87

-16.02
14 KYRWRRPYFH

1.62

-17.63

-16.01
15 RYRLRRPYFR

1.92

-17.91

-15.99
16 KYRPRRPYFR

2.02

-17.99

-15.97
17 RYRWRRPYFH

2.75

-18.67

-15.92
18 HYRLRRRYFH

1.93

-17.85

-15.92
19 KYRLRRPYFH

1.75

-17.52

-15.77
20 RYRPRRPYFR

2.78

-18.39

-15.61
21 RYRLRRFYFH

1.47

-17.03

-15.56
22 RYRPRRPYFH

1.59

-16.93

-15.34
23 RYRPRRFYFH

1.77

-17.07

-15.3
24 HYRLRRFYFH

2.06

-17.34

-15.28
25 RYRLRRRYFH

2.0

-17.26

-15.26
26 HYRPRRPYFF

2.84

-18.07

-15.23
27 HYRPRRPYFH

2.3

-17.46

-15.16
28 HYRPRRFYFH

1.48

-15.8

-14.32
29 KYRPRRPYFF

1.75

-15.93

-14.18
30 RYRPRRPYFF

1.73

-15.57

-13.84

 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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