Predicted ligand sequences


ADAN-name: 2DRK2.PDB (view again the scoring matrix)

PDB name: [2DRK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R P K P V P P P R G
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
 A
A
A
 A A
A
 A
G

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 1.589 ΔGbinding -12.220
TOTAL
 -10.631
Backbone Hb -3.260 Cis_bond 0.000
Sidechain Hb -3.360 Torsional clash 0.020
Van der Waals -8.730 Backbone clash 0.490
Electrostatics -1.970 Helix dipole 0.000
Solvation Polar 9.350 Water bridges -0.700
Solvation Hyd -10.540 Disulfide 0.000
VdW clashes 0.710 Electrost. Kon -1.650
Entropy sc 5.720 Part.cov.bonds 0.000
Entropy mc

2.200

 ΔGstability

-2.710
       

Predicted ligand sequences for template [2DRK2.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).
 
  2DRK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGRPEIPGRR 0.0
2 RHRPEIPGRR 0.01
3 RRRPEIPGRR 0.01
4 RGRPWIPGRR 0.02
5 RHRPWIPGRR 0.03
6 RRRPWIPGRR 0.03
7 RGRPEIPGFR 0.04
8 RGRREIPGRR 0.05
9 RHRPEIPGFR 0.05
10 RRRPEIPGFR 0.05
11 RGRPWIPGFR 0.05
12 RHRREIPGRR 0.06
13 RGRPEIPGRH 0.06
14 RRRREIPGRR 0.06
15 RGRRWIPGRR 0.07
16 RGRPPIPGRR 0.07
17 RHRPEIPGRH 0.07
18 RRRPWIPGFR 0.07
19 RRRPEIPGRH 0.07
20 RHRPWIPGFR 0.07
21 RHRRWIPGRR 0.08
22 RHRPPIPGRR 0.08
23 RRRPPIPGRR 0.08
24 RRRRWIPGRR 0.08
25 RGRPWIPGRH 0.08
26 RRRPWIPGRH 0.09
27 RHRPWIPGRH 0.09
28 RGRREIPGFR 0.09
29 RGRPEIFGRR 0.09
30 RHRPEIFGRR 0.1
31 RRRREIPGFR 0.1
32 RRRPEIFGRR 0.1
33 RHRREIPGFR 0.1
34 RGRPEIPGFH 0.1
35 RGRPPIPGFR 0.11
36 RGRREIPGRH 0.11
37 RHRPEIPGFH 0.11
38 RRRPEIPGFH 0.11
39 RRRPPIPGFR 0.11
40 RGRPWIPGFH 0.11
41 RGRPWIFGRR 0.11
42 RHRPPIPGFR 0.11
43 RGRRWIPGFR 0.11
44 RRRRWIPGFR 0.12
45 RHRRWIPGFR 0.12
46 RHRREIPGRH 0.12
47 RHRPWIFGRR 0.12
48 RRRREIPGRH 0.12
49 RGRRPIPGRR 0.12
50 RRRPWIFGRR 0.12
51 RGRPEIPIRR 0.13
52 RGRPEIFGFR 0.13
53 RGRRWIPGRH 0.13
54 RHRRPIPGRR 0.13
55 RRRRPIPGRR 0.13
56 RRRPWIPGFH 0.13
57 RHRPWIPGFH 0.13
58 RGRPPIPGRH 0.13
59 RHRRWIPGRH 0.14
60 RRRPEIPIRR 0.14
61 RHRPPIPGRH 0.14
62 RGRREIFGRR 0.14
63 RRRPEIFGFR 0.14
64 RGRPEIPPRR 0.14
65 RGRPWIPIRR 0.14
66 RRRRWIPGRH 0.14
67 RHRPEIFGFR 0.14
68 RRRPPIPGRH 0.14
69 RHRPEIPIRR 0.14
70 RHRPEIPPRR 0.15
71 RRRPWIPIRR 0.15
72 RHRREIFGRR 0.15
73 RGRREIPGFH 0.15
74 RRRPEIPPRR 0.15
75 RRRREIFGRR 0.15
76 RHRPWIPIRR 0.15
77 RGRPWIFGFR 0.15
78 RGRPEIFGRH 0.15
79 RGRRWIFGRR 0.16
80 RGRPEIPIFR 0.16
81 RHRPEIFGRH 0.16
82 RHRPWIFGFR 0.16
83 RGRPPIFGRR 0.16
84 RRRREIPGFH 0.16
85 RGRRPIPGFR 0.16
86 RRRPWIFGFR 0.16
87 RRRPEIFGRH 0.16
88 RGRPWIPPRR 0.16
89 RGRPEIPGRF 0.16
90 RHRREIPGFH 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRPWIPGFR

1.72

-15.37

-13.65
2 RRRREIPGRR

2.7

-15.46

-12.76
3 RGRPWIPGRR

1.97

-14.63

-12.66
4 RGRPEIFGRR

1.71

-14.36

-12.65
5 RGRPPIPGRR

1.88

-14.48

-12.6
6 RRRPWIPGRH

2.16

-14.76

-12.6
7 RHRPEIPGRR

1.86

-14.21

-12.35
8 RGRPEIPGFR

1.76

-14.1

-12.34
9 RHRPEIPGFR

1.65

-13.91

-12.26
10 RHRPPIPGRR

1.69

-13.95

-12.26
11 RRRPWIPGFR

2.65

-14.85

-12.2
12 RHRPEIFGRR

2.04

-14.24

-12.2
13 RHRREIPGRR

2.18

-14.32

-12.14
14 RHRPWIPGFR

2.58

-14.65

-12.07
15 RRRPEIPGFR

1.68

-13.75

-12.07
16 RGRPEIPGRH

2.01

-13.76

-11.75
17 RHRPEIPGRH

1.86

-13.6

-11.74
18 RRRPPIPGRR

2.33

-14.01

-11.68
19 RHRPWIPGRR

2.23

-13.91

-11.68
20 RRRPEIPGRR

1.81

-13.19

-11.38
21 RRRPWIPGRR

2.91

-14.11

-11.2
22 RHRRWIPGRR

2.84

-13.98

-11.14
23 RRRRWIPGRR

2.42

-13.5

-11.08
24 RGRREIPGRR

2.23

-13.31

-11.08
25 RGRRWIPGRR

3.95

-14.98

-11.03
26 RGRPEIPGRR

1.82

-12.81

-10.99
27 RHRPWIPGRH

2.54

-13.33

-10.79
28 RGRREIPGFR

2.75

-13.53

-10.78
29 RGRPWIPGRH

2.49

-13.23

-10.74
30 RRRPEIPGRH

2.18

-12.83

-10.65

 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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