Predicted ligand sequences

ADAN-name: 1RQQ3.PDB (view again the scoring matrix)

PDB name: [1RQQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I y E T D y y R
position 1 2 3 4 5 6 7 8
poly-Ala
A
A
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    

(Help)

Intraclash 3.639 ΔGbinding -11.466
TOTAL
 -7.827
Backbone Hb -3.862 Cis_bond 0.000
Sidechain Hb -4.662 Torsional clash 0.326
Van der Waals -6.092 Backbone clash 0.418
Electrostatics -4.722 Helix dipole -0.018
Solvation Polar 11.411 Water bridges -0.776
Solvation Hyd -6.285 Disulfide 0.000
VdW clashes 0.976 Electrost. Kon -2.777
Entropy sc 2.891 Part.cov.bonds 0.000
Entropy mc

2.123

 ΔGstability

7.802
       

Predicted ligand sequences for template [1RQQ3.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).
 
  1RQQ3.PDB    
# Predicted Sequences Value Calculate
1 pyEDGypy 0.0
2 DyEDGypy 0.01
3 pyEyGypy 0.03
4 DyEyGypy 0.05
5 pyEDGyPy 0.12
6 pyELGypy 0.13
7 pyEDGyyy 0.14
8 DyEDGyPy 0.14
9 DyELGypy 0.14
10 DyEDGyyy 0.16
11 pyEyGyPy 0.16
12 DyEyGyPy 0.17
13 pyEyGyyy 0.18
14 DyEyGyyy 0.19
15 EyEDGypy 0.21
16 EyEyGypy 0.24
17 pyELGyPy 0.25
18 DyELGyPy 0.26
19 pyELGyyy 0.27
20 DyELGyyy 0.28
21 EyELGypy 0.33
22 EyEDGyPy 0.33
23 pyEDGypE 0.34
24 pyEDDypy 0.35
25 EyEDGyyy 0.35
26 DyEDGypE 0.36
27 EyEyGyPy 0.36
28 DyEDDypy 0.37
29 pyEyGypE 0.38
30 pyEDGypp 0.39
31 pyEyDypy 0.39
32 EyEyGyyy 0.39
33 DyEyGypE 0.39
34 DyEyDypy 0.4
35 DyEDGypp 0.4
36 pyDDGypy 0.41
37 DyDDGypy 0.42
38 pyEyGypp 0.42
39 pyDyGypy 0.44
40 DyEyGypp 0.44
41 DyDyGypy 0.45
42 EyELGyPy 0.46
43 pyELGypE 0.47
44 pyEDGyPE 0.47
45 pyEDDyPy 0.47
46 DyEDGyPE 0.48
47 DyELGypE 0.48
48 pyELDypy 0.48
49 EyELGyyy 0.48
50 DyELDypy 0.49
51 pyEDGyyE 0.49
52 DyEDDyPy 0.49
53 DyEDGyyE 0.5
54 pyEyGyPE 0.5
55 pyEDDyyy 0.5
56 DyEDDyyy 0.51
57 pyEDGyPp 0.51
58 pyELGypp 0.51
59 pyEyDyPy 0.51
60 DyEyDyPy 0.52
61 DyEyGyPE 0.52
62 pyEyGyyE 0.52
63 pyEDGyyp 0.53
64 DyEDGyPp 0.53
65 pyDLGypy 0.53
66 pyDDGyPy 0.53
67 DyELGypp 0.53
68 pyEyDyyy 0.53
69 DyDDGyPy 0.54
70 DyEyDyyy 0.54
71 DyEyGyyE 0.54
72 pyDDGyyy 0.55
73 DyDLGypy 0.55
74 EyEDGypE 0.55
75 DyEDGyyp 0.55
76 pyEyGyPp 0.55
77 DyEyGyPp 0.56
78 DyDDGyyy 0.56
79 pyDyGyPy 0.56
80 EyEDDypy 0.56
81 pyEyGyyp 0.57
82 DyDyGyPy 0.58
83 pyDyGyyy 0.58
84 DyEyGyyp 0.58
85 EyEyDypy 0.59
86 pyELGyPE 0.59
87 EyEDGypp 0.59
88 EyEyGypE 0.59
89 DyDyGyyy 0.6
90 pyELDyPy 0.6
   (binding_energy)    (stability_energy)

(data)

    
# Precalculated Models Intraclash ΔGbinding Total
1 DyEyGypy

2.24

-15.51

-13.27
2 pyEyGypy

1.59

-14.76

-13.17
3 DyEDGyPy

1.17

-13.94

-12.77
4 DyELGypy

2.43

-14.81

-12.38
5 pyEDGypy

2.08

-14.35

-12.27
6 pyEyGypE

2.86

-14.85

-11.99
7 pyEDDypy

3.2

-15.06

-11.86
8 pyELGyyy

1.99

-13.74

-11.75
9 DyEDGypy

2.12

-13.62

-11.5
10 pyEDGypE

1.27

-12.68

-11.41
11 pyELGyPy

2.16

-13.56

-11.4
12 pyEyGyPy

1.56

-12.86

-11.3
13 DyELGyyy

2.0

-13.14

-11.14
14 pyELGypy

1.49

-12.62

-11.13
15 DyEyGyyy

2.32

-13.42

-11.1
16 pyEyGyyy

2.42

-13.49

-11.07
17 EyEyGyPy

2.08

-13.15

-11.07
18 DyEDDypy

3.45

-14.52

-11.07
19 EyEyGypy

2.43

-13.49

-11.06
20 pyEDGyPy

2.1

-12.76

-10.66
21 DyEDGyyy

1.91

-12.49

-10.58
22 DyELGyPy

2.18

-12.62

-10.44
23 DyEDGypE

2.31

-12.69

-10.38
24 pyEDGyyy

1.21

-11.48

-10.27
25 EyEDGyyy

2.33

-12.59

-10.26
26 EyEDGypy

2.0

-12.07

-10.07
27 EyEDGyPy

1.27

-11.27

-10.0
28 EyELGypy

2.2

-12.09

-9.89
29 pyEDGypp

2.2

-11.94

-9.74
30 DyEyGyPy

1.57

-10.94

-9.37

 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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