Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 0.333 ΔGbinding -0.721
TOTAL
 -0.388
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.734
Van der Waals -3.094 Backbone clash 0.019
Electrostatics 0.041 Helix dipole 0.000
Solvation Polar 2.897 Water bridges 0.000
Solvation Hyd -4.522 Disulfide 0.000
VdW clashes 0.397 Electrost. Kon -0.040
Entropy sc 0.340 Part.cov.bonds 0.000
Entropy mc

2.527

 ΔGstability

14.705
       

Predicted ligand sequences for model [NBP2_1YN8-11.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_1YN8-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPLHPY 0.0
2 YPPIHPY 0.01
3 YPWLHPY 0.06
4 YPWIHPY 0.07
5 YRPLHPY 0.09
6 YRPIHPY 0.1
7 YPPLHGY 0.15
8 YRWLHPY 0.15
9 YRWIHPY 0.16
10 YPPIHGY 0.17
11 YPRLHPY 0.17
12 YPRIHPY 0.18
13 YPPLHSY 0.19
14 YPPIHSY 0.21
15 YPWLHGY 0.21
16 YPPKHPY 0.21
17 YPWIHGY 0.22
18 YRPLHGY 0.24
19 YPWLHSY 0.25
20 YRPIHGY 0.26
21 YRRLHPY 0.26
22 YPWIHSY 0.26
23 YPWKHPY 0.27
24 YRRIHPY 0.27
25 YRPLHSY 0.28
26 RPPLHPY 0.29
27 YRPIHSY 0.29
28 RPPIHPY 0.3
29 YRWLHGY 0.3
30 YRPKHPY 0.3
31 YRWIHGY 0.31
32 YPRLHGY 0.32
33 YRWLHSY 0.34
34 YPRIHGY 0.34
35 RPWLHPY 0.34
36 RPWIHPY 0.35
37 YRWIHSY 0.35
38 YRWKHPY 0.36
39 YPRLHSY 0.36
40 YPPKHGY 0.37
41 YPRIHSY 0.38
42 YPRKHPY 0.38
43 RRPLHPY 0.38
44 RRPIHPY 0.39
45 YKPLHPY 0.4
46 YRRLHGY 0.41
47 YPPKHSY 0.41
48 YRRIHGY 0.42
49 YKPIHPY 0.42
50 YPWKHGY 0.43
51 RRWLHPY 0.43
52 RRWIHPY 0.44
53 RPPLHGY 0.44
54 RPPIHGY 0.45
55 RPRLHPY 0.45
56 YRRLHSY 0.45
57 YKWLHPY 0.46
58 YRPKHGY 0.46
59 YRRIHSY 0.46
60 YPWKHSY 0.47
61 YKWIHPY 0.47
62 RPRIHPY 0.47
63 YRRKHPY 0.47
64 RPPLHSY 0.48
65 RPPIHSY 0.49
66 RPPKHPY 0.5
67 RPWLHGY 0.5
68 YRPKHSY 0.5
69 YRWKHGY 0.51
70 RPWIHGY 0.51
71 RRPLHGY 0.53
72 RPWLHSY 0.54
73 YPRKHGY 0.54
74 RRPIHGY 0.54
75 RRRLHPY 0.54
76 YRWKHSY 0.55
77 RPWIHSY 0.55
78 RPWKHPY 0.56
79 YKPLHGY 0.56
80 RRRIHPY 0.56
81 YKPIHGY 0.57
82 RRPLHSY 0.57
83 YKRLHPY 0.57
84 YPRKHSY 0.58
85 RRPIHSY 0.58
86 YKRIHPY 0.58
87 RRWLHGY 0.59
88 RRPKHPY 0.59
89 RRWIHGY 0.6
90 YKPLHSY 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRLHPY

1.76

-9.31

-7.55
2 YPPLHPY

1.68

-9.11

-7.43
3 YPWLHPY

1.72

-9.12

-7.4
4 YPPKHPY

1.69

-9.07

-7.38
5 YPPLHSY

1.82

-9.02

-7.2
6 YPWLHSY

1.89

-8.96

-7.07
7 YPPLHGY

1.71

-8.7

-6.99
8 YPWLHGY

1.76

-8.74

-6.98
9 YPPIHPY

1.88

-8.79

-6.91
10 YPPIHGY

1.9

-8.73

-6.83
11 YPWKHPY

2.44

-9.26

-6.82
12 RPPLHPY

1.74

-8.49

-6.75
13 YPWIHGY

2.19

-8.76

-6.57
14 YPWIHPY

1.99

-8.49

-6.5
15 YPWIHSY

1.86

-8.22

-6.36
16 YRPLHGY

1.9

-8.09

-6.19
17 YRPKHPY

2.06

-8.22

-6.16
18 YPPIHSY

2.12

-8.2

-6.08
19 YRPLHSY

2.23

-8.26

-6.03
20 YRWLHPY

1.86

-7.87

-6.01
21 YRPLHPY

2.14

-8.08

-5.94
22 YRRLHPY

1.96

-7.84

-5.88
23 YRWLHGY

1.94

-7.77

-5.83
24 RPPIHPY

2.01

-7.74

-5.73
25 YRPIHPY

2.06

-7.55

-5.49
26 YRPIHSY

2.5

-7.94

-5.44
27 YRPIHGY

2.12

-7.48

-5.36
28 YRRIHPY

2.43

-7.72

-5.29
29 YRWIHPY

2.4

-6.95

-4.55
30 YPRIHPY

1.9

-6.34

-4.44

 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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