Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-26.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
poly-Ala 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 0.140 ΔGbinding -2.359
TOTAL
 -2.219
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.371
Van der Waals -3.481 Backbone clash 0.011
Electrostatics 0.020 Helix dipole 0.000
Solvation Polar 3.251 Water bridges -0.000
Solvation Hyd -5.099 Disulfide 0.000
VdW clashes 0.343 Electrost. Kon -0.036
Entropy sc 0.368 Part.cov.bonds 0.000
Entropy mc

1.904

 ΔGstability

14.433
       

Predicted ligand sequences for model [NBP2_1YN8-26.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_1YN8-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRRFPR 0.0
2 RRRRKRFPR 0.06
3 RRRRRRFRR 0.12
4 RRRRHRFPR 0.13
5 RRRRKRFRR 0.18
6 RHRRRRFPR 0.23
7 RRRRRRIPR 0.25
8 RKRRRRFPR 0.26
9 RRRRHRFRR 0.26
10 RHRRKRFPR 0.29
11 RRRRKRIPR 0.31
12 RRRRRRYPR 0.32
13 RRRRRRFER 0.32
14 RKRRKRFPR 0.32
15 RHRRRRFRR 0.35
16 RHRRHRFPR 0.36
17 RRRRRRIRR 0.37
18 RRRRKRYPR 0.38
19 RRRRKRFER 0.38
20 RRRRHRIPR 0.38
21 RKRRHRFPR 0.39
22 RKRRRRFRR 0.39
23 KRRRRRFPR 0.4
24 RHRRKRFRR 0.41
25 RRRRKRIRR 0.43
26 RRRRHRFER 0.45
27 RKRRKRFRR 0.45
28 RRRRRRYRR 0.45
29 RRRRHRYPR 0.45
30 KRRRKRFPR 0.46
31 RHRRRRIPR 0.47
32 DRRRRRFPR 0.47
33 RHRRHRFRR 0.48
34 RRRKRRFPR 0.49
35 RRRRHRIRR 0.5
36 RKRRRRIPR 0.51
37 RRRRKRYRR 0.51
38 RKRRHRFRR 0.52
39 RHRRKRIPR 0.53
40 DRRRKRFPR 0.53
41 KRRRRRFRR 0.53
42 KRRRHRFPR 0.53
43 RRRKKRFPR 0.55
44 RHRRRRFER 0.55
45 RHRRRRYPR 0.55
46 RRRRRRIER 0.57
47 RKRRKRIPR 0.57
48 RRRRHRYRR 0.58
49 RKRRRRYPR 0.58
50 RKRRRRFER 0.58
51 KRRRKRFRR 0.59
52 DRRRHRFPR 0.6
53 RHRRRRIRR 0.6
54 DRRRRRFRR 0.6
55 RHRRKRYPR 0.61
56 RRRKRRFRR 0.61
57 RHRRKRFER 0.61
58 RHRRHRIPR 0.61
59 RRRKHRFPR 0.62
60 RKRRRRIRR 0.63
61 RRRRKRIER 0.63
62 KHRRRRFPR 0.63
63 RRRRRRYER 0.64
64 RKRRKRYPR 0.64
65 RKRRKRFER 0.64
66 RKRRHRIPR 0.64
67 KRRRRRIPR 0.65
68 KRRRHRFRR 0.66
69 RHRRKRIRR 0.66
70 DRRRKRFRR 0.66
71 KKRRRRFPR 0.66
72 RHRRRRYRR 0.67
73 RRRKKRFRR 0.68
74 RHRRHRFER 0.68
75 RHRRHRYPR 0.68
76 RKRRKRIRR 0.69
77 KHRRKRFPR 0.69
78 RRRRHRIER 0.7
79 RRRRKRYER 0.7
80 DHRRRRFPR 0.7
81 RKRRRRYRR 0.71
82 KRRRKRIPR 0.71
83 RKRRHRYPR 0.71
84 KRRRRRFER 0.72
85 DRRRRRIPR 0.72
86 RHRKRRFPR 0.72
87 RKRRHRFER 0.72
88 KKRRKRFPR 0.72
89 KRRRRRYPR 0.72
90 RHRRHRIRR 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRRRRFPR

3.44

-11.16

-7.72
2 RHRRKRFPR

2.89

-10.54

-7.65
3 RHRRHRFPR

3.65

-11.0

-7.35
4 RRRRHRFRR

3.71

-10.98

-7.27
5 RRRRRRYRR

3.72

-10.84

-7.12
6 RRRRKRIRR

4.17

-11.24

-7.07
7 RKRRRRFPR

3.39

-10.18

-6.79
8 RRRRKRFER

3.51

-10.16

-6.65
9 RHRRRRFPR

3.82

-10.4

-6.58
10 RRRRRRFPR

3.41

-9.97

-6.56
11 RRRRKRYPR

4.0

-10.48

-6.48
12 RHRRRRFRR

3.31

-9.68

-6.37
13 RRRRRRYPR

3.81

-10.14

-6.33
14 RRRRHRFER

3.37

-9.66

-6.29
15 RKRRKRFPR

3.41

-9.59

-6.18
16 RRRRRRFER

3.41

-9.38

-5.97
17 RHRRKRFRR

3.69

-9.61

-5.92
18 RRRRKRIPR

4.59

-10.35

-5.76
19 RRRRRRIRR

4.2

-9.86

-5.66
20 RRRRRRFRR

4.16

-9.81

-5.65
21 RRRRHRFPR

3.54

-9.18

-5.64
22 KRRRKRFPR

3.75

-9.36

-5.61
23 RRRRHRYPR

2.64

-7.88

-5.24
24 RKRRKRFRR

3.7

-8.91

-5.21
25 RRRRKRFPR

3.69

-8.28

-4.59
26 RRRRHRIPR

3.36

-7.89

-4.53
27 RKRRRRFRR

3.6

-8.09

-4.49
28 RRRRRRIPR

4.79

-9.26

-4.47
29 RRRRKRFRR

4.19

-8.59

-4.4
30 RKRRHRFPR

3.69

-7.99

-4.3

 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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