Predicted ligand sequences


ADAN-name: 1N7T2.PDB (view again the scoring matrix)

PDB name: [1N7T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T G W E T W V
position 1 2 3 4 5 6 7
poly-Ala 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 3.760 ΔGbinding -7.680
TOTAL
 -3.920
Backbone Hb -3.750 Cis_bond 0.000
Sidechain Hb -0.440 Torsional clash 0.140
Van der Waals -10.540 Backbone clash 0.890
Electrostatics -1.200 Helix dipole 0.000
Solvation Polar 13.520 Water bridges -0.760
Solvation Hyd -14.060 Disulfide 0.000
VdW clashes 0.660 Electrost. Kon -0.950
Entropy sc 4.170 Part.cov.bonds 0.000
Entropy mc

5.530

 ΔGstability

60.980
       

Predicted ligand sequences for template [1N7T2.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).
 
  1N7T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PGWMDPV 0.0
2 PGWMDMV 0.01
3 PGWMDWV 0.03
4 PGWMLPV 0.13
5 PGWMLMV 0.14
6 PGWMLWV 0.16
7 YGWMDPV 0.23
8 PGWMFPV 0.24
9 YGWMDMV 0.24
10 WGWMDPV 0.24
11 PGWMFMV 0.25
12 WGWMDMV 0.25
13 YGWMDWV 0.26
14 WGWMDWV 0.27
15 PGWMFWV 0.27
16 PGWMDPM 0.33
17 PGMMDPV 0.33
18 PGMMDMV 0.34
19 PGWMDMM 0.34
20 PGMMDWV 0.36
21 YGWMLPV 0.36
22 PGWMDWM 0.36
23 YGWMLMV 0.37
24 PGWFDPV 0.37
25 PGWFDMV 0.38
26 WGWMLPV 0.38
27 WGWMLMV 0.39
28 YGWMLWV 0.39
29 WGWMLWV 0.4
30 PGWFDWV 0.4
31 PGWMLPM 0.47
32 PGWMLMM 0.47
33 PGMMLMV 0.47
34 YGWMFPV 0.47
35 PGMMLPV 0.47
36 WGWMFPV 0.48
37 YGWMFMV 0.48
38 WGWMFMV 0.49
39 PGMMLWV 0.49
40 PGWMLWM 0.49
41 YGWMFWV 0.5
42 WGWMFWV 0.51
43 PGWFLMV 0.51
44 PGWFLPV 0.51
45 PGWFLWV 0.53
46 YGWMDPM 0.56
47 YGMMDPV 0.56
48 PGMMFPV 0.57
49 PGWMFPM 0.57
50 YGWMDMM 0.57
51 YGMMDMV 0.57
52 WGMMDPV 0.57
53 PGMMFMV 0.58
54 PGWMFMM 0.58
55 WGWMDMM 0.58
56 WGMMDMV 0.58
57 WGWMDPM 0.58
58 YGMMDWV 0.59
59 YGWMDWM 0.59
60 PGMMFWV 0.6
61 WGWMDWM 0.6
62 YGWFDPV 0.6
63 PGWMFWM 0.6
64 WGMMDWV 0.6
65 PGWFFPV 0.61
66 WGWFDPV 0.61
67 YGWFDMV 0.61
68 PGWFFMV 0.62
69 WGWFDMV 0.62
70 YGWFDWV 0.63
71 WGWFDWV 0.64
72 PGWFFWV 0.64
73 PGMMDPM 0.66
74 PGMMDMM 0.67
75 PGMMDWM 0.69
76 YGMMLPV 0.69
77 YGWMLPM 0.7
78 YGWMLMM 0.7
79 PGWFDPM 0.7
80 YGMMLMV 0.7
81 PGMFDPV 0.7
82 WGMMLPV 0.71
83 PGWFDMM 0.71
84 PGMFDMV 0.71
85 WGWMLPM 0.71
86 WGWMLMM 0.72
87 YGWMLWM 0.72
88 WGMMLMV 0.72
89 YGMMLWV 0.72
90 PGMFDWV 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WGWMLMV

3.86

-8.73

-4.87
2 WGWMLPV

3.05

-7.89

-4.84
3 YGWMDMV

2.98

-7.17

-4.19
4 PGWMDMM

3.49

-7.59

-4.1
5 PGWMDPV

2.72

-6.79

-4.07
6 PGWMFWV

2.69

-6.62

-3.93
7 PGWMFPV

2.64

-6.53

-3.89
8 PGWMLPV

2.83

-6.66

-3.83
9 YGWMLMV

3.85

-7.68

-3.83
10 PGWMLWV

2.84

-6.62

-3.78
11 PGWFDPV

2.33

-6.07

-3.74
12 WGWMDMV

3.92

-7.62

-3.7
13 PGWMFMV

3.8

-7.48

-3.68
14 PGWMDWV

2.78

-6.41

-3.63
15 PGWMLMV

3.72

-7.33

-3.61
16 YGWMLWV

3.2

-6.61

-3.41
17 YGWMLPV

3.07

-6.41

-3.34
18 PGMMDWV

3.5

-6.82

-3.32
19 PGMMDPV

2.6

-5.92

-3.32
20 PGWFDWV

2.92

-6.12

-3.2
21 PGWMDMV

3.41

-6.5

-3.09
22 YGWMDWV

4.07

-6.96

-2.89
23 PGWFDMV

3.36

-6.1

-2.74
24 YGWMDPV

2.84

-5.56

-2.72
25 PGWMDPM

3.43

-5.99

-2.56
26 PGWMDWM

3.21

-5.74

-2.53
27 PGMMDMV

3.71

-6.16

-2.45
28 WGWMLWV

4.26

-6.58

-2.32
29 WGWMDPV

3.95

-6.02

-2.07
30 WGWMDWV

4.31

-6.01

-1.7

 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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