Predicted ligand sequences


ADAN-name: 1MFG2.PDB (view again the scoring matrix)

PDB name: [1MFG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E Y L G L D V P V
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
 G
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 2.294 ΔGbinding -11.490
TOTAL
 -9.196
Backbone Hb -10.060 Cis_bond 0.000
Sidechain Hb -3.320 Torsional clash 0.050
Van der Waals -10.510 Backbone clash 0.870
Electrostatics -1.060 Helix dipole 0.000
Solvation Polar 17.470 Water bridges -0.990
Solvation Hyd -13.030 Disulfide 0.000
VdW clashes 0.360 Electrost. Kon -0.660
Entropy sc 5.450 Part.cov.bonds 0.000
Entropy mc

4.800

 ΔGstability

-5.750
       

Predicted ligand sequences for template [1MFG2.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).
 
  1MFG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WYDGDHILV 0.0
2 WYDGDNILV 0.01
3 PYDGDHILV 0.02
4 PYDGDNILV 0.03
5 WYDGDHLLV 0.06
6 WYDGDNLLV 0.07
7 PYDGDHLLV 0.08
8 PYDGDNLLV 0.09
9 WYDGDHIMV 0.09
10 WYDGDNIMV 0.09
11 WYDGDHMLV 0.1
12 WYDGDNMLV 0.1
13 PYDGDNIMV 0.11
14 PYDGDHIMV 0.11
15 PYDGDHMLV 0.12
16 PYDGDNMLV 0.12
17 WFDGDNILV 0.13
18 WFDGDHILV 0.13
19 DYDGDHILV 0.13
20 WYDGDHLMV 0.14
21 PFDGDHILV 0.14
22 DYDGDNILV 0.14
23 WYDGDNLMV 0.15
24 PFDGDNILV 0.15
25 PYDGDHLMV 0.16
26 PYDGDNLMV 0.17
27 WYDGDHMMV 0.18
28 WFDGDHLLV 0.18
29 DYDGDHLLV 0.19
30 WFDGDNLLV 0.19
31 WYDGDNMMV 0.19
32 PFDGDHLLV 0.2
33 DYDGDNLLV 0.2
34 PYDGDHMMV 0.2
35 WFDGDHIMV 0.21
36 PYDGDNMMV 0.21
37 PFDGDNLLV 0.21
38 WYDGDHIIV 0.22
39 WFDGDHMLV 0.22
40 DYDGDHIMV 0.22
41 DYDGDNIMV 0.22
42 WFDGDNIMV 0.22
43 PFDGDHIMV 0.23
44 WFDGDNMLV 0.23
45 WYDGDNIIV 0.23
46 DYDGDHMLV 0.23
47 DYDGDNMLV 0.23
48 PFDGDNIMV 0.24
49 PFDGDHMLV 0.24
50 PYDGDHIIV 0.24
51 PYDGDNIIV 0.25
52 PFDGDNMLV 0.25
53 DFDGDNILV 0.26
54 DFDGDHILV 0.26
55 WYDGEHILV 0.26
56 WYDGENILV 0.27
57 WFDGDHLMV 0.27
58 DYDGDHLMV 0.28
59 WYDGDHLIV 0.28
60 DYDGDNLMV 0.28
61 PYDGEHILV 0.28
62 WFDGDNLMV 0.28
63 PFDGDHLMV 0.29
64 WYDGDNLIV 0.29
65 PYDGENILV 0.29
66 PYDGDHLIV 0.3
67 PFDGDNLMV 0.3
68 WFDGDHMMV 0.31
69 PYDGDNLIV 0.31
70 DYDGDHMMV 0.31
71 DFDGDHLLV 0.31
72 WFDGDNMMV 0.31
73 WYDGEHLLV 0.32
74 DYDGDNMMV 0.32
75 WYDGDHMIV 0.32
76 WYDGDNMIV 0.32
77 DFDGDNLLV 0.32
78 PFDGDHMMV 0.33
79 WYDGENLLV 0.33
80 PFDGDNMMV 0.33
81 WYDDDNILV 0.33
82 WYDDDHILV 0.33
83 PYDGDNMIV 0.34
84 DFDGDHIMV 0.34
85 PYDGEHLLV 0.34
86 WFDGDHIIV 0.34
87 PYDGDHMIV 0.34
88 WYDGENIMV 0.35
89 WFDGDNIIV 0.35
90 PYDDDNILV 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WYDGDNIMV

1.6

-15.42

-13.82
2 WYDGDNLMV

1.48

-15.06

-13.58
3 WYDGDNILV

1.89

-15.3

-13.41
4 WFDGDNILV

1.83

-15.22

-13.39
5 DYDGDNILV

1.76

-15.03

-13.27
6 WYDGDHMMV

1.83

-15.04

-13.21
7 WYDGDNMLV

1.61

-14.8

-13.19
8 WFDGDNLLV

1.72

-14.78

-13.06
9 PFDGDNILV

1.93

-14.97

-13.04
10 PYDGDNILV

1.93

-14.85

-12.92
11 WYDGDNLLV

1.57

-14.4

-12.83
12 PYDGDHLMV

1.42

-14.22

-12.8
13 WYDGDHLMV

1.7

-14.47

-12.77
14 PYDGDNLLV

1.62

-14.38

-12.76
15 PYDGDNMLV

1.62

-14.33

-12.71
16 WYDGDHIMV

1.64

-14.2

-12.56
17 PYDGDNIMV

1.62

-14.17

-12.55
18 WYDGDHILV

2.1

-14.53

-12.43
19 WFDGDHILV

1.97

-14.28

-12.31
20 WYDGDHMLV

1.88

-14.06

-12.18
21 WFDGDHLLV

2.08

-14.18

-12.1
22 PFDGDHILV

1.78

-13.81

-12.03
23 DYDGDHILV

1.92

-13.78

-11.86
24 DYDGDHLLV

1.78

-13.42

-11.64
25 PYDGDHMLV

1.69

-12.66

-10.97
26 PYDGDNLMV

1.64

-12.4

-10.76
27 WYDGDHLLV

2.22

-12.2

-9.98
28 PYDGDHIMV

1.76

-11.31

-9.55
29 PYDGDHILV

2.03

-11.28

-9.25
30 PYDGDHLLV

2.26

-11.13

-8.87

 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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