Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-28.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 3.229 ΔGbinding -0.371
TOTAL
 2.858
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.627
Van der Waals -4.678 Backbone clash 0.108
Electrostatics 0.006 Helix dipole 0.000
Solvation Polar 4.753 Water bridges 0.000
Solvation Hyd -7.280 Disulfide 0.000
VdW clashes 3.391 Electrost. Kon -0.081
Entropy sc 0.605 Part.cov.bonds 0.000
Entropy mc

3.561

 ΔGstability

38.605
       

Predicted ligand sequences for model [NBP2_1GCQ-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRFFTWPHR 0.0
2 RRRFFTWRHR 0.01
3 RRRFYTWPHR 0.02
4 RRRFYTWRHR 0.02
5 RRRFSTWPHR 0.04
6 RRRFSTWRHR 0.05
7 RRRFFTWKHR 0.07
8 RRRFYTWKHR 0.08
9 RRRFSTWKHR 0.11
10 RRHFFTWRHR 0.11
11 RRHFFTWPHR 0.11
12 RRPFFTWPHR 0.12
13 RRHFYTWPHR 0.13
14 RRPFFTWRHR 0.13
15 RRHFYTWRHR 0.13
16 RRRFFTWIHR 0.13
17 RRPFYTWRHR 0.14
18 RRPFYTWPHR 0.14
19 RRRMFTWPHR 0.15
20 RRHFSTWPHR 0.15
21 RRRFYTWIHR 0.15
22 RRHFSTWRHR 0.16
23 RRPFSTWPHR 0.16
24 RRRMFTWRHR 0.16
25 RRHFFTWKHR 0.17
26 RRRMYTWPHR 0.17
27 RRRFSTWIHR 0.17
28 RRPFSTWRHR 0.17
29 RRPFFTWKHR 0.18
30 RRRMYTWRHR 0.18
31 RRHFYTWKHR 0.19
32 RRRMSTWRHR 0.2
33 RRRMSTWPHR 0.2
34 RRPFYTWKHR 0.2
35 RRRKFTWPHR 0.2
36 RRRKFTWRHR 0.21
37 RRHFSTWKHR 0.21
38 RRRKYTWPHR 0.22
39 RRRMFTWKHR 0.22
40 RRRKYTWRHR 0.23
41 RRPFSTWKHR 0.23
42 RRRKSTWPHR 0.24
43 RRRMYTWKHR 0.24
44 RRHFFTWIHR 0.24
45 RRPFFTWIHR 0.25
46 RRRKSTWRHR 0.25
47 RRRMSTWKHR 0.26
48 RRHFYTWIHR 0.26
49 RRHMFTWPHR 0.26
50 RRHMFTWRHR 0.27
51 RRPFYTWIHR 0.27
52 RRRKFTWKHR 0.27
53 RRHFSTWIHR 0.28
54 RRPMFTWRHR 0.28
55 RRRKYTWKHR 0.28
56 RRHMYTWPHR 0.28
57 RRPMFTWPHR 0.28
58 RRPFSTWIHR 0.29
59 RRPMYTWPHR 0.29
60 RRHMYTWRHR 0.29
61 RRRMFTWIHR 0.29
62 RRRMYTWIHR 0.3
63 RRPMYTWRHR 0.3
64 RRHMSTWPHR 0.3
65 RRRFITWPHR 0.3
66 RRHMSTWRHR 0.31
67 RRRFITWRHR 0.31
68 RRHKFTWPHR 0.31
69 RRRKSTWKHR 0.31
70 RRHKFTWRHR 0.32
71 RRPKFTWPHR 0.32
72 RRPMSTWRHR 0.32
73 RRPMSTWPHR 0.32
74 RRHKYTWPHR 0.33
75 RRPKFTWRHR 0.33
76 RRHKYTWRHR 0.33
77 RRHMFTWKHR 0.33
78 RRRMSTWIHR 0.33
79 RRRKFTWIHR 0.33
80 RRPMFTWKHR 0.34
81 RRPKYTWPHR 0.34
82 RRRKYTWIHR 0.35
83 RRRIFTWRHR 0.35
84 RRHKSTWPHR 0.35
85 RRPKYTWRHR 0.35
86 RRHMYTWKHR 0.35
87 RRRIFTWPHR 0.35
88 RRHKSTWRHR 0.36
89 RRPKSTWPHR 0.36
90 RRPMYTWKHR 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRHFFTWRHR

2.92

-15.76

-12.84
2 RRRFYTWRHR

2.42

-14.5

-12.08
3 RRPFFTWRHR

2.87

-14.94

-12.07
4 RRRFFTWRHR

2.89

-14.83

-11.94
5 RRRMFTWPHR

3.72

-13.51

-9.79
6 RRRFFTWIHR

2.91

-12.57

-9.66
7 RRHFYTWPHR

2.96

-12.54

-9.58
8 RRRMYTWRHR

2.54

-12.01

-9.47
9 RRRFYTWKHR

2.76

-11.82

-9.06
10 RRRFYTWIHR

2.43

-11.45

-9.02
11 RRRMYTWPHR

3.27

-12.04

-8.77
12 RRRMFTWRHR

3.75

-12.45

-8.7
13 RRPFSTWRHR

2.71

-11.35

-8.64
14 RRRFFTWKHR

3.46

-12.02

-8.56
15 RRRFFTWPHR

3.91

-12.42

-8.51
16 RRRFSTWRHR

2.72

-11.02

-8.3
17 RRPFFTWPHR

3.92

-12.2

-8.28
18 RRPFFTWKHR

2.53

-10.78

-8.25
19 RRRFSTWKHR

2.44

-10.66

-8.22
20 RRHFFTWKHR

2.74

-10.79

-8.05
21 RRHFYTWRHR

2.91

-10.74

-7.83
22 RRRFYTWPHR

3.57

-11.2

-7.63
23 RRHFSTWRHR

3.06

-10.55

-7.49
24 RRPFYTWRHR

2.89

-10.3

-7.41
25 RRRFSTWPHR

4.15

-11.54

-7.39
26 RRHFFTWPHR

3.95

-10.99

-7.04
27 RRRFSTWIHR

4.29

-11.07

-6.78
28 RRPFSTWPHR

4.27

-11.03

-6.76
29 RRPFYTWPHR

3.8

-10.23

-6.43
30 RRHFSTWPHR

3.34

-9.21

-5.87

 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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