Predicted ligand sequences


ADAN-name: 1NLO2.PDB (view again the scoring matrix)

PDB name: [1NLO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P L P P L P
position 1 2 3 4 5 6
poly-Ala 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 5.379 ΔGbinding -7.440
TOTAL
 -2.061
Backbone Hb -2.190 Cis_bond 0.000
Sidechain Hb -2.170 Torsional clash 0.070
Van der Waals -6.040 Backbone clash 0.650
Electrostatics 0.000 Helix dipole 0.000
Solvation Polar 5.020 Water bridges -0.200
Solvation Hyd -8.800 Disulfide 0.000
VdW clashes 1.470 Electrost. Kon 0.000
Entropy sc 4.000 Part.cov.bonds 0.000
Entropy mc

1.400

 ΔGstability

51.690
       

Predicted ligand sequences for template [1NLO2.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).
 
  1NLO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DLGGMF 0.0
2 DLGEMF 0.01
3 ELGGMF 0.03
4 ELGEMF 0.05
5 DLGDMF 0.05
6 ELGDMF 0.08
7 DLGFMF 0.13
8 ELGFMF 0.16
9 GLGGMF 0.22
10 GLGEMF 0.23
11 GLGDMF 0.27
12 DLGGFF 0.34
13 GLGFMF 0.35
14 DLGEFF 0.35
15 ELGGFF 0.37
16 ELGEFF 0.39
17 DLGDFF 0.39
18 DIGGMF 0.41
19 DLGGMY 0.42
20 ELGDFF 0.42
21 DIGEMF 0.42
22 DLGEMY 0.43
23 EIGGMF 0.44
24 EIGEMF 0.45
25 ELGGMY 0.45
26 DIGDMF 0.46
27 ELGEMY 0.47
28 DLGDMY 0.47
29 DLGFFF 0.47
30 EIGDMF 0.49
31 ELGFFF 0.5
32 ELGDMY 0.5
33 DIGFMF 0.54
34 DLGFMY 0.55
35 GLGGFF 0.56
36 EIGFMF 0.57
37 GLGEFF 0.57
38 ELGFMY 0.58
39 GLGDFF 0.6
40 GIGGMF 0.63
41 GIGEMF 0.64
42 GLGGMY 0.64
43 GLGEMY 0.65
44 GIGDMF 0.67
45 GLGDMY 0.69
46 GLGFFF 0.69
47 DIGGFF 0.75
48 DIGEFF 0.76
49 GIGFMF 0.76
50 DLGGFY 0.76
51 GLGFMY 0.77
52 DLGEFY 0.77
53 EIGGFF 0.78
54 ELGGFY 0.79
55 DIGDFF 0.79
56 EIGEFF 0.79
57 ELGEFY 0.8
58 DLGDFY 0.81
59 DIGGMY 0.83
60 EIGDFF 0.83
61 ELGDFY 0.84
62 DIGEMY 0.84
63 EIGGMY 0.86
64 EIGEMY 0.88
65 DIGFFF 0.88
66 DIGDMY 0.88
67 DLGFFY 0.89
68 EIGDMY 0.91
69 EIGFFF 0.91
70 ELGFFY 0.92
71 DIGFMY 0.96
72 GIGGFF 0.97
73 GLGGFY 0.98
74 GIGEFF 0.98
75 EIGFMY 0.99
76 GLGEFY 0.99
77 GIGDFF 1.01
78 GLGDFY 1.02
79 GIGGMY 1.05
80 GIGEMY 1.06
81 GIGDMY 1.09
82 GIGFFF 1.09
83 GLGFFY 1.11
84 DIGGFY 1.17
85 DIGEFY 1.18
86 GIGFMY 1.18
87 EIGGFY 1.2
88 DIGDFY 1.21
89 EIGEFY 1.21
90 EIGDFY 1.25
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ELGDMF

1.81

-7.56

-5.75
2 GLGDMF

1.99

-7.47

-5.48
3 DLGEMY

1.88

-7.15

-5.27
4 ELGEMF

2.2

-7.45

-5.25
5 DLGFMF

1.91

-6.83

-4.92
6 ELGGMF

1.99

-6.73

-4.74
7 DIGDMF

2.65

-7.31

-4.66
8 ELGGMY

1.98

-6.62

-4.64
9 EIGDMF

2.57

-7.21

-4.64
10 ELGEFF

1.65

-6.22

-4.57
11 DIGGMF

2.78

-7.26

-4.48
12 DLGGFF

1.72

-6.19

-4.47
13 EIGGMF

2.46

-6.93

-4.47
14 DLGEFF

1.84

-6.26

-4.42
15 DIGEMF

2.76

-7.15

-4.39
16 GLGFMF

2.1

-6.48

-4.38
17 GLGGMF

2.42

-6.8

-4.38
18 DLGDFF

1.6

-5.97

-4.37
19 DLGEMF

2.44

-6.77

-4.33
20 DLGGMY

1.95

-6.19

-4.24
21 ELGFMF

2.19

-6.39

-4.2
22 DLGDMF

2.21

-6.0

-3.79
23 GLGEMF

5.67

-7.17

-1.5
24 EIGEMF

6.52

-7.46

-0.94
25 DLGGMF

6.37

-7.27

-0.9
26 ELGEMY

5.57

-6.44

-0.87
27 DLGDMY

5.67

-6.52

-0.85
28 ELGDFF

5.66

-6.49

-0.83
29 DLGFFF

5.84

-6.48

-0.64
30 ELGGFF

5.87

-5.98

-0.11

 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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