Predicted ligand sequences


ADAN-name: 2PHK2.PDB (view again the scoring matrix)

PDB name: [2PHK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R Q M S F R L
position 1 2 3 4 5 6 7
poly-Ala
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    

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Intraclash 3.759 ΔGbinding -11.412
TOTAL
 -7.653
Backbone Hb -5.350 Cis_bond 0.000
Sidechain Hb -4.500 Torsional clash 0.649
Van der Waals -9.279 Backbone clash 0.013
Electrostatics -2.349 Helix dipole 0.035
Solvation Polar 14.139 Water bridges -0.245
Solvation Hyd -12.203 Disulfide 0.000
VdW clashes 0.595 Electrost. Kon -1.943
Entropy sc 3.448 Part.cov.bonds 0.000
Entropy mc

5.590

 ΔGstability

1.450
       

Predicted ligand sequences for template [2PHK2.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).
 
  2PHK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWFFWW 0.0
2 RRWQFWW 0.04
3 RRFFFWW 0.17
4 YRWFFWW 0.21
5 RRFQFWW 0.21
6 RRWFWWW 0.21
7 RRLFFWW 0.23
8 RRWQWWW 0.25
9 YRWQFWW 0.25
10 RRLQFWW 0.26
11 RRWFFWF 0.27
12 RRWQFWF 0.31
13 RRWFFWM 0.38
14 YRFFFWW 0.38
15 RRFFWWW 0.38
16 RRWQFWM 0.41
17 YRFQFWW 0.41
18 RRFQWWW 0.42
19 YRWFWWW 0.42
20 RRWFFWL 0.42
21 YRLFFWW 0.43
22 RRLFWWW 0.44
23 RRFFFWF 0.44
24 RRWQFWL 0.46
25 YRWQWWW 0.46
26 RRLQWWW 0.47
27 YRLQFWW 0.47
28 RRWFWWF 0.48
29 YRWFFWF 0.48
30 RRFQFWF 0.48
31 RRLFFWF 0.5
32 RRWQWWF 0.52
33 YRWQFWF 0.52
34 RRLQFWF 0.53
35 RRFFFWM 0.55
36 YRWFFWM 0.58
37 RRFQFWM 0.58
38 RRWFWWM 0.59
39 RRFFFWL 0.59
40 YRFFWWW 0.59
41 RRLFFWM 0.6
42 YRWQFWM 0.62
43 RRWFWWL 0.63
44 YRWFFWL 0.63
45 RRFQFWL 0.63
46 YRFQWWW 0.63
47 RRWQWWM 0.63
48 RRLQFWM 0.64
49 RRLFFWL 0.65
50 YRLFWWW 0.65
51 YRFFFWF 0.65
52 RRFFWWF 0.65
53 RRWQWWL 0.67
54 YRWQFWL 0.67
55 RRLQFWL 0.68
56 YRLQWWW 0.68
57 YRFQFWF 0.69
58 RRFQWWF 0.69
59 YRWFWWF 0.69
60 YRLFFWF 0.7
61 RRLFWWF 0.71
62 YRWQWWF 0.73
63 YRLQFWF 0.74
64 RRLQWWF 0.75
65 YRFFFWM 0.75
66 RRFFWWM 0.76
67 YRFQFWM 0.79
68 RRFQWWM 0.8
69 YRWFWWM 0.8
70 YRFFFWL 0.8
71 RRFFWWL 0.8
72 RRLFWWM 0.81
73 YRLFFWM 0.81
74 YRWQWWM 0.83
75 RRFQWWL 0.84
76 YRWFWWL 0.84
77 YRFQFWL 0.84
78 RRLQWWM 0.85
79 YRLQFWM 0.85
80 YRLFFWL 0.85
81 RRLFWWL 0.86
82 YRFFWWF 0.86
83 YRWQWWL 0.88
84 YRLQFWL 0.89
85 RRLQWWL 0.9
86 YRFQWWF 0.9
87 YRLFWWF 0.92
88 YRLQWWF 0.95
89 YRFFWWM 0.97
90 YRFQWWM 1.0
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFFFWF

4.3

-21.6

-17.3
2 RRWQFWF

4.1

-20.19

-16.09
3 RRFQFWF

3.95

-19.92

-15.97
4 RRFQWWW

3.91

-19.39

-15.48
5 RRWFFWM

3.99

-19.42

-15.43
6 YRLFFWW

4.08

-19.21

-15.13
7 RRWQWWW

3.79

-18.82

-15.03
8 YRWFWWW

4.11

-18.8

-14.69
9 RRLFWWW

3.71

-18.27

-14.56
10 RRWQFWL

3.53

-17.96

-14.43
11 RRFQFWW

3.71

-17.49

-13.78
12 RRWQFWM

4.04

-17.79

-13.75
13 YRLQFWW

3.92

-17.41

-13.49
14 RRFFFWW

4.04

-17.37

-13.33
15 YRFFFWW

4.02

-17.19

-13.17
16 RRWQFWW

4.25

-17.35

-13.1
17 RRLQFWW

3.72

-16.59

-12.87
18 RRWFWWW

4.14

-16.93

-12.79
19 YRWQWWW

3.74

-16.5

-12.76
20 YRWQFWW

4.17

-16.71

-12.54
21 YRWFFWF

4.23

-16.5

-12.27
22 RRLQWWW

3.61

-15.85

-12.24
23 RRWFWWF

3.75

-15.37

-11.62
24 RRWFFWW

3.83

-15.43

-11.6
25 RRWFFWL

4.11

-15.58

-11.47
26 RRWFFWF

4.23

-15.43

-11.2
27 RRLFFWW

4.07

-15.13

-11.06
28 RRFFWWW

3.61

-14.52

-10.91
29 YRWFFWW

3.99

-13.66

-9.67
30 YRFQFWW

3.28

-12.16

-8.88

 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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