Predicted ligand sequences


ADAN-name: 2NMB2.PDB (view again the scoring matrix)

PDB name: [2NMB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A Y I G P y L
position 1 2 3 4 5 6 7
poly-Ala
A
A
 A
G
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 16.958 ΔGbinding -5.017
TOTAL
 11.941
Backbone Hb -0.825 Cis_bond 0.000
Sidechain Hb -0.825 Torsional clash 1.139
Van der Waals -6.293 Backbone clash 1.612
Electrostatics -2.552 Helix dipole 0.002
Solvation Polar 6.952 Water bridges -0.099
Solvation Hyd -10.094 Disulfide 0.000
VdW clashes 2.760 Electrost. Kon -1.652
Entropy sc 2.718 Part.cov.bonds 0.000
Entropy mc

3.754

 ΔGstability

266.625
       

Predicted ligand sequences for template [2NMB2.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).
 
  2NMB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGGGMSD 0.0
2 RGGGMTD 0.06
3 RGGGMSN 0.21
4 RWGGMSD 0.23
5 RGGGMTN 0.26
6 RWGGMTD 0.28
7 RWGGMSN 0.43
8 RGNGMSD 0.44
9 HGGGMSD 0.47
10 RWGGMTN 0.49
11 RGNGMTD 0.5
12 HGGGMTD 0.52
13 RGNGMSN 0.64
14 RWNGMSD 0.66
15 RGGGKSD 0.67
16 HGGGMSN 0.67
17 HWGGMSD 0.69
18 RGNGMTN 0.7
19 RGAGMSD 0.71
20 RWNGMTD 0.72
21 RGGGKTD 0.72
22 HGGGMTN 0.73
23 HWGGMTD 0.75
24 RGAGMTD 0.77
25 RWNGMSN 0.87
26 RGGGKSN 0.87
27 RWGGKSD 0.89
28 HWGGMSN 0.9
29 HGNGMSD 0.9
30 RGAGMSN 0.92
31 RWNGMTN 0.93
32 RGGGKTN 0.93
33 RWAGMSD 0.94
34 RWGGKTD 0.95
35 HGNGMTD 0.96
36 HWGGMTN 0.96
37 RGAGMTN 0.98
38 RWAGMTD 1.0
39 RWGGKSN 1.1
40 RGNGKSD 1.1
41 HGNGMSN 1.11
42 HWNGMSD 1.13
43 HGGGKSD 1.13
44 RWAGMSN 1.15
45 RWGGKTN 1.16
46 RGNGKTD 1.16
47 HGNGMTN 1.17
48 HGAGMSD 1.18
49 HWNGMTD 1.19
50 HGGGKTD 1.19
51 RWAGMTN 1.2
52 HGAGMTD 1.24
53 RGNGKSN 1.31
54 RWNGKSD 1.33
55 HWNGMSN 1.34
56 HGGGKSN 1.34
57 HWGGKSD 1.36
58 RGNGKTN 1.37
59 RGAGKSD 1.38
60 HGAGMSN 1.39
61 HWNGMTN 1.39
62 RWNGKTD 1.39
63 HGGGKTN 1.4
64 HWAGMSD 1.41
65 HWGGKTD 1.42
66 RGAGKTD 1.44
67 HGAGMTN 1.45
68 HWAGMTD 1.46
69 RWNGKSN 1.54
70 HWGGKSN 1.56
71 HGNGKSD 1.57
72 RGAGKSN 1.59
73 RWNGKTN 1.59
74 RWAGKSD 1.61
75 HWAGMSN 1.61
76 HWGGKTN 1.62
77 HGNGKTD 1.63
78 RGAGKTN 1.65
79 RWAGKTD 1.66
80 HWAGMTN 1.67
81 HGNGKSN 1.78
82 HWNGKSD 1.79
83 RWAGKSN 1.81
84 HGNGKTN 1.83
85 HGAGKSD 1.85
86 HWNGKTD 1.85
87 RWAGKTN 1.87
88 HGAGKTD 1.91
89 HWNGKSN 2.0
90 HGAGKSN 2.05
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGAGMSD

6.34

-2.94

3.4
2 RGNGMSD

7.21

-3.76

3.45
3 RGAGMTD

7.75

-4.0

3.75
4 RGNGMSN

7.19

-3.09

4.1
5 RGGGMSD

6.28

-2.12

4.16
6 RGNGMTD

7.67

-3.32

4.35
7 RGGGMTD

6.87

-2.18

4.69
8 RWGGMSD

7.15

-2.25

4.9
9 RWGGMTD

8.41

-3.44

4.97
10 RGGGMSN

6.29

-1.29

5.0
11 HWGGMSN

7.23

-1.98

5.25
12 RWGGMSN

6.63

-1.3

5.33
13 RGGGKSD

6.71

-1.27

5.44
14 RGGGKTD

7.55

-1.84

5.71
15 HGGGMSD

7.81

-1.95

5.86
16 RGGGMTN

7.06

-1.13

5.93
17 RGNGMTN

8.08

-2.1

5.98
18 RGAGMSN

6.73

-0.72

6.01
19 RWGGMTN

7.95

-1.87

6.08
20 HGGGMTD

8.89

-2.69

6.2
21 HGGGMSN

7.51

-1.1

6.41
22 RWNGMSD

11.07

-4.47

6.6
23 RGGGKSN

6.9

0.03

6.93
24 RWNGMSN

10.79

-3.75

7.04
25 RWNGMTD

12.27

-4.64

7.63
26 HWGGMSD

9.67

-2.01

7.66
27 HGGGMTN

8.84

-0.67

8.17
28 RWGGKSD

9.02

0.35

9.37
29 HGNGMSD

11.56

-1.96

9.6
30 HWGGMTD

15.52

-2.55

12.97

 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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