Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.145 ΔGbinding -0.860
TOTAL
 -0.715
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.323
Van der Waals -1.649 Backbone clash 0.015
Electrostatics -0.136 Helix dipole 0.000
Solvation Polar 1.752 Water bridges 0.000
Solvation Hyd -2.355 Disulfide 0.000
VdW clashes 0.408 Electrost. Kon -0.225
Entropy sc 0.189 Part.cov.bonds 0.000
Entropy mc

0.833

 ΔGstability

14.886
       

Predicted ligand sequences for model [NBP2_1YN8-12.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_1YN8-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWWFRMMR 0.0
2 RWWFPMMR 0.02
3 RWWIRMMR 0.05
4 RWWIPMMR 0.07
5 RWWPRMMR 0.14
6 KWWFRMMR 0.14
7 RWWFRRMR 0.14
8 RWWFPRMR 0.15
9 RWWPPMMR 0.16
10 KWWFPMMR 0.16
11 RWWFHMMR 0.17
12 KWWIRMMR 0.19
13 RWWIRRMR 0.19
14 RWWFRKMR 0.2
15 RWWIPRMR 0.2
16 RWWFPKMR 0.21
17 RWWFRMMK 0.21
18 RWMFRMMR 0.21
19 KWWIPMMR 0.21
20 RWWFPMMK 0.22
21 RWWIHMMR 0.22
22 RWMFPMMR 0.23
23 RWWIRKMR 0.25
24 RWWIPKMR 0.26
25 FWWFRMMR 0.26
26 RWWIRMMK 0.26
27 RWWPRRMR 0.27
28 RWMIRMMR 0.27
29 FWWFPMMR 0.28
30 KWWPRMMR 0.28
31 RWWIPMMK 0.28
32 KWWFRRMR 0.28
33 RWMIPMMR 0.28
34 RWWPPRMR 0.29
35 KWWFPRMR 0.29
36 KWWPPMMR 0.3
37 KWWFHMMR 0.31
38 RWWFHRMR 0.31
39 RWWPHMMR 0.31
40 FWWIRMMR 0.32
41 FWWIPMMR 0.33
42 KWWIRRMR 0.33
43 RWWPRKMR 0.33
44 RWWPRMMK 0.34
45 RWWFRRMK 0.34
46 KWWFRKMR 0.34
47 RWMFRRMR 0.35
48 RWWFRMMP 0.35
49 RWWPPKMR 0.35
50 KWWFPKMR 0.35
51 KWWFRMMK 0.35
52 KWWIPRMR 0.35
53 RWMPRMMR 0.35
54 RWWFPMMP 0.36
55 RWWPPMMK 0.36
56 RWMFPRMR 0.36
57 KWMFRMMR 0.36
58 RWWIHRMR 0.36
59 RWWFPRMK 0.36
60 RWWFHKMR 0.37
61 KWWIHMMR 0.37
62 KWWFPMMK 0.37
63 KWMFPMMR 0.37
64 RWMPPMMR 0.37
65 RWWFHMMK 0.38
66 KWWIRKMR 0.39
67 RWMFHMMR 0.39
68 RWWIRRMK 0.39
69 RWWFRKMK 0.4
70 RWMIRRMR 0.4
71 FWWPRMMR 0.4
72 KWWIRMMK 0.4
73 FWWFRRMR 0.4
74 RWWIRMMP 0.4
75 RWMFRKMR 0.41
76 RWWIPRMK 0.41
77 KWMIRMMR 0.41
78 KWWIPKMR 0.41
79 RWWIPMMP 0.41
80 RWWFPKMK 0.42
81 RWWIHKMR 0.42
82 KWMIPMMR 0.42
83 RWMIPRMR 0.42
84 RWMFRMMK 0.42
85 KWWIPMMK 0.42
86 KWWPRRMR 0.42
87 RWWFRMFR 0.42
88 FWWPPMMR 0.42
89 FWWFPRMR 0.42
90 RWMFPKMR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWMIRMMR

1.69

-7.15

-5.46
2 RWMFPMMR

1.77

-6.18

-4.41
3 RWMFRMMR

2.08

-6.36

-4.28
4 RWWIPMMR

3.29

-7.48

-4.19
5 KWWPRMMR

2.25

-6.4

-4.15
6 RWWIRMMR

3.04

-7.14

-4.1
7 RWWFPMMR

2.51

-6.52

-4.01
8 FWWFRMMR

2.24

-6.12

-3.88
9 RWWIHMMR

3.5

-7.2

-3.7
10 KWWIRMMR

3.17

-6.85

-3.68
11 RWWFRMMR

2.99

-6.5

-3.51
12 KWWIPMMR

3.29

-6.7

-3.41
13 RWWFPMMK

2.58

-5.91

-3.33
14 KWWFRMMR

3.06

-6.37

-3.31
15 RWWPRMMR

3.04

-6.17

-3.13
16 FWWFPMMR

2.12

-5.12

-3.0
17 RWWFHMMR

3.0

-5.98

-2.98
18 RWWIRMMK

3.27

-6.25

-2.98
19 RWWIRRMR

3.76

-6.59

-2.83
20 RWWFRMMK

3.69

-6.51

-2.82
21 RWWFPRMR

3.18

-5.89

-2.71
22 RWWPRRMR

3.46

-6.15

-2.69
23 KWWFPMMR

2.55

-5.08

-2.53
24 RWWFRKMR

2.46

-4.94

-2.48
25 RWWFRRMR

2.3

-4.58

-2.28
26 RWWIPRMR

3.44

-5.57

-2.13
27 RWWIRKMR

3.08

-5.19

-2.11
28 RWWPPMMR

4.16

-6.04

-1.88
29 RWWFPKMR

3.24

-4.99

-1.75
30 RWWIPKMR

3.68

-5.38

-1.7

 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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