Predicted ligand sequences


ADAN-name: 2BR92.PDB (view again the scoring matrix)

PDB name: [2BR9.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R Q R s A P
position 1 2 3 4 5 6
poly-Ala
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    

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Intraclash 2.498 ΔGbinding -11.990
TOTAL
 -9.492
Backbone Hb -2.590 Cis_bond 0.000
Sidechain Hb -8.820 Torsional clash 0.040
Van der Waals -7.480 Backbone clash 0.160
Electrostatics -4.190 Helix dipole -0.060
Solvation Polar 15.300 Water bridges -0.850
Solvation Hyd -8.450 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -2.610
Entropy sc 5.890 Part.cov.bonds 0.000
Entropy mc

1.650

 ΔGstability

-83.750
       

Predicted ligand sequences for template [2BR92.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).
 
  2BR92.PDB  

(data)
# Predicted Sequences Value Calculate
1 yMYEMy 0.0
2 yMYEMP 0.04
3 yMYEMW 0.09
4 yMYEMK 0.13
5 yIYEMy 0.19
6 yMYEMY 0.23
7 yIYEMP 0.23
8 yIYEMW 0.27
9 yIYEMK 0.32
10 yMIEMy 0.35
11 yMIEMP 0.39
12 yIYEMY 0.42
13 yMIEMW 0.43
14 yMKEMy 0.46
15 yMIEMK 0.47
16 yMKEMP 0.51
17 yIIEMy 0.53
18 yMKEMW 0.55
19 yMMEMy 0.55
20 yIIEMP 0.58
21 yMIEMY 0.58
22 yMKEMK 0.59
23 yMVEMy 0.59
24 yMMEMP 0.6
25 yIIEMW 0.62
26 yMVEMP 0.64
27 yMMEMW 0.64
28 yIKEMy 0.65
29 yIIEMK 0.66
30 yMVEMW 0.68
31 yMMEMK 0.68
32 yMKEMY 0.69
33 yIKEMP 0.69
34 yMVEMK 0.72
35 yLYEMy 0.72
36 yIKEMW 0.73
37 yIMEMy 0.74
38 yLYEMP 0.76
39 yIIEMY 0.77
40 yIKEMK 0.78
41 yMMEMY 0.78
42 yIVEMy 0.78
43 yIMEMP 0.79
44 yLYEMW 0.8
45 yMVEMY 0.82
46 yIVEMP 0.82
47 yIMEMW 0.83
48 yLYEMK 0.84
49 yIVEMW 0.86
50 yIMEMK 0.87
51 yIKEMY 0.88
52 yIVEMK 0.91
53 yLYEMY 0.95
54 yIMEMY 0.97
55 yIVEMY 1.01
56 yLIEMy 1.06
57 yLIEMP 1.11
58 yLIEMW 1.15
59 yMYEFy 1.17
60 yLKEMy 1.18
61 yLIEMK 1.19
62 yMYEFP 1.21
63 yLKEMP 1.22
64 yMYEFW 1.25
65 yLKEMW 1.26
66 yLMEMy 1.27
67 yMYEFK 1.29
68 yLIEMY 1.3
69 yLVEMy 1.31
70 yLKEMK 1.31
71 yLMEMP 1.32
72 yLVEMP 1.35
73 yLMEMW 1.36
74 yIYEFy 1.36
75 yLVEMW 1.4
76 yLMEMK 1.4
77 yMYEFY 1.4
78 yIYEFP 1.4
79 yLKEMY 1.41
80 yLVEMK 1.44
81 yIYEFW 1.44
82 yIYEFK 1.48
83 yLMEMY 1.5
84 yMIEFy 1.52
85 yLVEMY 1.54
86 yMIEFP 1.56
87 yIYEFY 1.59
88 yMIEFW 1.6
89 yMKEFy 1.63
90 yMIEFK 1.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yIKEMy

3.02

-18.18

-15.16
2 yIIEMP

2.8

-17.45

-14.65
3 yMIEMP

2.69

-16.81

-14.12
4 yMVEMP

2.79

-16.74

-13.95
5 yMIEMy

2.78

-16.58

-13.8
6 yMYEMK

2.79

-16.53

-13.74
7 yIYEMy

2.89

-16.54

-13.65
8 yMIEMW

2.69

-16.32

-13.63
9 yMVEMW

2.73

-16.23

-13.5
10 yIYEMP

2.49

-15.93

-13.44
11 yIIEMy

2.7

-16.04

-13.34
12 yMYEMW

2.95

-16.29

-13.34
13 yMYEMP

2.91

-15.98

-13.07
14 yIIEMW

2.59

-15.59

-13.0
15 yMKEMW

2.41

-15.39

-12.98
16 yMYEMy

2.64

-15.51

-12.87
17 yMIEMK

2.96

-15.68

-12.72
18 yIYEMY

2.74

-15.45

-12.71
19 yIYEMK

2.56

-15.2

-12.64
20 yMKEMy

3.08

-15.63

-12.55
21 yMKEMP

2.44

-14.97

-12.53
22 yMMEMP

3.18

-15.58

-12.4
23 yMMEMW

2.92

-14.94

-12.02
24 yMVEMy

3.09

-15.07

-11.98
25 yIIEMK

3.38

-15.33

-11.95
26 yMMEMy

2.55

-14.37

-11.82
27 yMIEMY

2.45

-14.11

-11.66
28 yMKEMK

3.23

-14.84

-11.61
29 yIYEMW

3.43

-14.54

-11.11
30 yMYEMY

4.23

-15.12

-10.89

 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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