Predicted ligand sequences


ADAN-name: 1XXV2.PDB (view again the scoring matrix)

PDB name: [1XXV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D A D E Y
position 1 2 3 4 5
poly-Ala 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    

(Help)

Intraclash 1.677 ΔGbinding -5.858
TOTAL
 -4.181
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.241
Van der Waals -4.852 Backbone clash 0.183
Electrostatics -2.578 Helix dipole 0.032
Solvation Polar 7.515 Water bridges -0.554
Solvation Hyd -5.723 Disulfide 0.000
VdW clashes 0.331 Electrost. Kon -2.678
Entropy sc 1.555 Part.cov.bonds 0.000
Entropy mc

2.128

 ΔGstability

-12.554
       

Predicted ligand sequences for template [1XXV2.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).
 
  1XXV2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DNFDW 0.0
2 DNFSW 0.03
3 DNFDy 0.09
4 DNFSy 0.12
5 PNFDW 0.26
6 DNEDW 0.26
7 DNFDM 0.27
8 PNFSW 0.29
9 DNFSM 0.3
10 DNESW 0.3
11 DyFDW 0.31
12 DNDDW 0.34
13 DyFSW 0.34
14 DNFEW 0.34
15 PNFDy 0.35
16 DNEDy 0.35
17 GNFDW 0.36
18 DNDSW 0.37
19 DNESy 0.38
20 PNFSy 0.38
21 GNFSW 0.39
22 DyFDy 0.4
23 DyFSy 0.43
24 DNDDy 0.43
25 DNFEy 0.43
26 GNFDy 0.45
27 DNDSy 0.46
28 GNFSy 0.48
29 PNEDW 0.52
30 PNFDM 0.53
31 DNEDM 0.54
32 PNESW 0.55
33 PNFSM 0.56
34 DyEDW 0.57
35 DNESM 0.57
36 PyFDW 0.57
37 DyFDM 0.58
38 PNFEW 0.6
39 DNEEW 0.6
40 DyESW 0.6
41 PNDDW 0.6
42 PyFSW 0.6
43 PNEDy 0.61
44 DyFSM 0.61
45 DNDDM 0.61
46 DNFEM 0.61
47 GNEDW 0.62
48 GNFDM 0.63
49 PNDSW 0.63
50 DNDSM 0.64
51 PNESy 0.64
52 DyDDW 0.65
53 DyFEW 0.65
54 GNESW 0.65
55 GNFSM 0.66
56 DyEDy 0.66
57 PyFDy 0.66
58 GyFDW 0.67
59 DyDSW 0.68
60 DNDEW 0.68
61 PNFEy 0.69
62 DNEEy 0.69
63 PNDDy 0.69
64 DyESy 0.69
65 PyFSy 0.69
66 GNFEW 0.7
67 GNDDW 0.7
68 GyFSW 0.7
69 GNEDy 0.71
70 PNDSy 0.72
71 GNDSW 0.73
72 DyFEy 0.73
73 DyDDy 0.74
74 GNESy 0.74
75 GyFDy 0.76
76 DyDSy 0.77
77 DNDEy 0.77
78 GNFEy 0.78
79 PNEDM 0.79
80 GNDDy 0.79
81 GyFSy 0.79
82 GNDSy 0.82
83 PNESM 0.83
84 PyEDW 0.83
85 DyEDM 0.84
86 PyFDM 0.84
87 PyESW 0.86
88 PNEEW 0.86
89 PNFEM 0.87
90 DNEEM 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DNEDy

1.4

-9.32

-7.92
2 DNFEW

1.75

-9.24

-7.49
3 GNFDy

1.44

-8.89

-7.45
4 DNEDW

1.41

-8.61

-7.2
5 PNFDy

1.38

-8.49

-7.11
6 DNFDM

1.51

-8.55

-7.04
7 DNFDW

1.71

-8.71

-7.0
8 DNFSy

1.77

-8.7

-6.93
9 DNDDW

1.42

-8.29

-6.87
10 DNESy

1.64

-8.49

-6.85
11 DNDDy

1.46

-8.12

-6.66
12 DNFEy

1.55

-8.15

-6.6
13 PNEDW

1.19

-7.77

-6.58
14 GNFDW

1.37

-7.93

-6.56
15 DNDSy

1.6

-8.15

-6.55
16 PNFDW

1.35

-7.86

-6.51
17 PNFDM

1.31

-7.8

-6.49
18 DNESW

1.54

-7.91

-6.37
19 DNFSW

1.68

-8.02

-6.34
20 DyFDW

1.52

-7.7

-6.18
21 DNDSW

1.57

-7.71

-6.14
22 GNFSy

1.56

-7.61

-6.05
23 PNFSy

1.46

-7.51

-6.05
24 DNFDy

1.65

-7.67

-6.02
25 PNFSW

1.4

-7.22

-5.82
26 GNFSW

1.38

-7.07

-5.69
27 DyFSy

1.7

-7.01

-5.31
28 DNFSM

1.74

-6.98

-5.24
29 DyFDy

1.55

-6.77

-5.22
30 DyFSW

2.0

-6.96

-4.96

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER