Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-20.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
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 1.302 ΔGbinding -3.702
TOTAL
 -2.400
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.224
Van der Waals -5.063 Backbone clash 0.101
Electrostatics 0.076 Helix dipole 0.000
Solvation Polar 6.567 Water bridges -0.029
Solvation Hyd -7.174 Disulfide 0.000
VdW clashes 0.622 Electrost. Kon -0.107
Entropy sc 1.605 Part.cov.bonds 0.000
Entropy mc

2.627

 ΔGstability

14.450
       

Predicted ligand sequences for model [NBP2_1YN8-20.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_1YN8-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFRRGHHI 0.0
2 RRYRRGHHI 0.06
3 RRHRRGHHI 0.11
4 RRFRRGHKI 0.17
5 RRFRRGRHI 0.19
6 RRFRRGHRI 0.2
7 RRYRRGHKI 0.23
8 RRYRRGRHI 0.25
9 RRYRRGHRI 0.27
10 RRFRRGHHP 0.27
11 RRHRRGHKI 0.28
12 RRHRRGRHI 0.3
13 RRHRRGHRI 0.31
14 RRYRRGHHP 0.33
15 RRFRKGHHI 0.35
16 RRFRRGRKI 0.36
17 RRHRRGHHP 0.38
18 RRFRWGHHI 0.38
19 RRFRRGRRI 0.4
20 RRYRKGHHI 0.41
21 RRYRRGRKI 0.42
22 RRYRWGHHI 0.44
23 RRFRRGHKP 0.44
24 RRHRKGHHI 0.46
25 RRYRRGRRI 0.46
26 RRFRRGRHP 0.46
27 RRHRRGRKI 0.47
28 RRFRRGHRP 0.48
29 RRHRWGHHI 0.49
30 RRYRRGHKP 0.5
31 RRHRRGRRI 0.5
32 RRYRRGRHP 0.52
33 RRFRKGHKI 0.52
34 RRYRRGHRP 0.54
35 RRFRKGRHI 0.54
36 RRFRWGHKI 0.55
37 RRHRRGHKP 0.55
38 RRFRKGHRI 0.56
39 RRHRRGRHP 0.57
40 RRFRWGRHI 0.57
41 RRYRKGHKI 0.58
42 RRFRWGHRI 0.59
43 RRHRRGHRP 0.59
44 RRYRKGRHI 0.6
45 RRYRWGHKI 0.61
46 RRYRKGHRI 0.62
47 RRFRKGHHP 0.62
48 RRHRKGHKI 0.63
49 RRFRRGRKP 0.63
50 RRYRWGRHI 0.63
51 RRHRKGRHI 0.65
52 RRYRWGHRI 0.65
53 RRFRWGHHP 0.66
54 RRHRWGHKI 0.66
55 RRHRKGHRI 0.66
56 RRFRRGRRP 0.67
57 RRHRWGRHI 0.68
58 RRHRWGHRI 0.69
59 RRYRKGHHP 0.69
60 RRYRRGRKP 0.69
61 RRFRKGRKI 0.71
62 RRYRWGHHP 0.72
63 RRHRKGHHP 0.73
64 RRYRRGRRP 0.73
65 RRFRWGRKI 0.74
66 RRHRRGRKP 0.74
67 RRFRKGRRI 0.75
68 RRHRWGHHP 0.76
69 RRYRKGRKI 0.77
70 RRHRRGRRP 0.78
71 RRFRWGRRI 0.78
72 RRYRWGRKI 0.8
73 RRFRKGHKP 0.8
74 RRYRKGRRI 0.81
75 RRFRKGRHP 0.82
76 RRHRKGRKI 0.82
77 RRFRWGHKP 0.83
78 RRFRKGHRP 0.83
79 RRYRWGRRI 0.84
80 RRYRKGHKP 0.85
81 RRHRWGRKI 0.85
82 RRFRWGRHP 0.85
83 RRHRKGRRI 0.86
84 RRFRWGHRP 0.86
85 RRYRKGRHP 0.88
86 RRYRKGHRP 0.89
87 RRYRWGHKP 0.89
88 RRHRWGRRI 0.89
89 RRHRKGHKP 0.9
90 RRYRWGRHP 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRYRRGHKI

3.36

-13.15

-9.79
2 RRFRRGHRP

4.49

-12.73

-8.24
3 RRHRRGHKI

3.41

-11.55

-8.14
4 RRFRRGHRI

3.5

-11.37

-7.87
5 RRFRRGRKI

3.25

-11.1

-7.85
6 RRHRRGHRI

3.47

-11.29

-7.82
7 RRYRRGRRI

3.34

-11.11

-7.77
8 RRFRRGHHP

4.03

-11.7

-7.67
9 RRFRRGHKP

5.07

-12.66

-7.59
10 RRHRRGHHI

3.84

-11.43

-7.59
11 RRFRRGRHP

4.44

-11.92

-7.48
12 RRFRRGHKI

3.0

-10.43

-7.43
13 RRYRRGHKP

4.12

-11.17

-7.05
14 RRYRRGHRI

4.05

-11.03

-6.98
15 RRHRRGRHI

3.97

-10.82

-6.85
16 RRFRRGHHI

2.71

-9.37

-6.66
17 RRHRKGHHI

3.33

-9.72

-6.39
18 RRHRRGHHP

4.02

-10.4

-6.38
19 RRYRRGRHI

3.42

-9.51

-6.09
20 RRYRRGRKI

4.27

-10.25

-5.98
21 RRYRWGHHI

3.21

-9.19

-5.98
22 RRHRRGRKI

4.76

-10.46

-5.7
23 RRFRRGRHI

3.72

-9.31

-5.59
24 RRYRKGHHI

3.62

-9.15

-5.53
25 RRYRRGHHP

3.43

-8.88

-5.45
26 RRYRRGHHI

4.1

-9.28

-5.18
27 RRFRRGRRI

3.77

-8.29

-4.52
28 RRHRWGHHI

3.33

-7.71

-4.38
29 RRFRKGHHI

3.46

-7.77

-4.31
30 RRFRWGHHI

3.42

-6.46

-3.04

 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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