Predicted ligand sequences


ADAN-name: 1MFL2.PDB (view again the scoring matrix)

PDB name: [1MFL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L D V P V
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    

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Intraclash 1.672 ΔGbinding -10.060
TOTAL
 -8.388
Backbone Hb -8.570 Cis_bond 0.000
Sidechain Hb -2.330 Torsional clash 0.020
Van der Waals -7.030 Backbone clash 0.750
Electrostatics -0.300 Helix dipole 0.000
Solvation Polar 12.750 Water bridges -0.760
Solvation Hyd -9.360 Disulfide 0.000
VdW clashes 0.160 Electrost. Kon -0.230
Entropy sc 2.930 Part.cov.bonds 0.000
Entropy mc

2.650

 ΔGstability

-5.250
       

Predicted ligand sequences for template [1MFL2.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).
 
  1MFL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDFYL 0.0
2 DDMYL 0.05
3 DDFWL 0.1
4 DDFML 0.12
5 DDQYL 0.15
6 DDMWL 0.15
7 DDMML 0.17
8 EDFYL 0.17
9 EDMYL 0.22
10 DDQWL 0.25
11 PDFYL 0.27
12 DDQML 0.27
13 EDFWL 0.27
14 EDFML 0.29
15 EDQYL 0.32
16 EDMWL 0.32
17 PDMYL 0.32
18 EDMML 0.34
19 PDFWL 0.37
20 DDFYV 0.38
21 PDFML 0.39
22 PDMWL 0.42
23 EDQWL 0.42
24 PDQYL 0.42
25 DDMYV 0.43
26 DDFYM 0.43
27 PDMML 0.44
28 EDQML 0.44
29 DIFYL 0.48
30 DDFWV 0.48
31 DDMYM 0.48
32 DMFYL 0.49
33 DDFMV 0.5
34 PDQWL 0.52
35 DDFWM 0.53
36 DDQYV 0.53
37 DIMYL 0.53
38 DDMWV 0.53
39 DMMYL 0.54
40 PDQML 0.54
41 DDMMV 0.55
42 EDFYV 0.55
43 DDFMM 0.55
44 DDQYM 0.58
45 DIFWL 0.58
46 DDMWM 0.58
47 DDMMM 0.6
48 EDFYM 0.6
49 EDMYV 0.6
50 DIFML 0.6
51 DMFWL 0.6
52 DMFML 0.62
53 DIMWL 0.63
54 DIQYL 0.63
55 DDQWV 0.63
56 DMQYL 0.64
57 DMMWL 0.64
58 PDFYV 0.65
59 DDQMV 0.65
60 EIFYL 0.65
61 EDMYM 0.65
62 DIMML 0.65
63 EDFWV 0.65
64 EMFYL 0.66
65 DMMML 0.66
66 EDFMV 0.67
67 DDQWM 0.68
68 EDQYV 0.7
69 PDFYM 0.7
70 DDQMM 0.7
71 EIMYL 0.7
72 EDFWM 0.7
73 EDMWV 0.7
74 PDMYV 0.7
75 EMMYL 0.71
76 EDMMV 0.72
77 EDFMM 0.72
78 DIQWL 0.73
79 DMQWL 0.74
80 EDQYM 0.75
81 PIFYL 0.75
82 PDFWV 0.75
83 EIFWL 0.75
84 EDMWM 0.75
85 DIQML 0.75
86 PDMYM 0.75
87 PMFYL 0.76
88 DMQML 0.76
89 EIFML 0.77
90 EMFWL 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDFYL

2.09

-13.84

-11.75
2 DDFML

2.14

-13.79

-11.65
3 EDFYL

2.17

-13.5

-11.33
4 PDFML

2.04

-13.33

-11.29
5 PDQYL

1.92

-13.12

-11.2
6 DIFYL

1.98

-13.16

-11.18
7 EDMML

2.38

-13.52

-11.14
8 DDFYV

1.74

-12.86

-11.12
9 DDFWL

2.0

-13.09

-11.09
10 EDQYL

2.02

-13.1

-11.08
11 PDFYL

2.26

-13.31

-11.05
12 DDQML

2.09

-13.14

-11.05
13 DDQYL

2.17

-13.18

-11.01
14 DDMYV

1.71

-12.7

-10.99
15 PDMWL

2.19

-12.98

-10.79
16 PDMYL

2.16

-12.89

-10.73
17 EDMWL

2.08

-12.63

-10.55
18 PDMML

2.26

-12.74

-10.48
19 EDQML

2.51

-12.99

-10.48
20 EDFWL

2.28

-12.74

-10.46
21 DDMWL

2.15

-12.61

-10.46
22 DDFWV

1.7

-11.98

-10.28
23 DDQWL

2.07

-12.05

-9.98
24 EDFML

1.91

-11.79

-9.88
25 EDMYL

2.05

-11.78

-9.73
26 EDQWL

2.33

-11.83

-9.5
27 DDMYL

1.82

-11.0

-9.18
28 DDMML

2.02

-10.79

-8.77
29 PDFWL

1.83

-10.32

-8.49
30 DDFYM

2.45

-8.61

-6.16

 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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