Predicted ligand sequences


ADAN-name: 1YDR2.PDB (view again the scoring matrix)

PDB name: [1YDR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
A
G
A
A
G
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 4.697 ΔGbinding -30.696
TOTAL
 -25.999
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -10.175 Torsional clash 1.832
Van der Waals -17.273 Backbone clash 0.554
Electrostatics -13.746 Helix dipole 0.165
Solvation Polar 25.454 Water bridges -0.524
Solvation Hyd -20.962 Disulfide 0.000
VdW clashes 1.456 Electrost. Kon -5.383
Entropy sc 7.687 Part.cov.bonds 0.000
Entropy mc

5.597

 ΔGstability

-12.134
       

Predicted ligand sequences for template [1YDR2.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).
 
  1YDR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRFyFFRRGRRWRRKyWFRy 0.0
2 DRFyFFRKGRRWRRKyWFRy 0.0
3 DRFyFFRQGRRWRRKyWFRy 0.01
4 DRFpFFRKGRRWRRKyWFRy 0.03
5 DRFsFFRRGRRWRRKyWFRy 0.03
6 DRFsFFRKGRRWRRKyWFRy 0.03
7 DRFpFFRRGRRWRRKyWFRy 0.03
8 DRFsFFRQGRRWRRKyWFRy 0.04
9 DRFpFFRQGRRWRRKyWFRy 0.04
10 sRFyFFRKGRRWRRKyWFRy 0.05
11 sRFyFFRRGRRWRRKyWFRy 0.05
12 sRFyFFRQGRRWRRKyWFRy 0.06
13 DRFyFFWRGRRWRRKyWFRy 0.07
14 DRFyFFWKGRRWRRKyWFRy 0.07
15 sRFsFFRKGRRWRRKyWFRy 0.08
16 sRFpFFRRGRRWRRKyWFRy 0.08
17 DRFyFFWQGRRWRRKyWFRy 0.08
18 sRFpFFRKGRRWRRKyWFRy 0.08
19 sRFsFFRRGRRWRRKyWFRy 0.08
20 sRFsFFRQGRRWRRKyWFRy 0.09
21 sRFpFFRQGRRWRRKyWFRy 0.09
22 DRFpFFWKGRRWRRKyWFRy 0.1
23 DRFsFFWKGRRWRRKyWFRy 0.1
24 DRFsFFWQGRRWRRKyWFRy 0.11
25 DRFsFFWRGRRWRRKyWFRy 0.11
26 DRFpFFWRGRRWRRKyWFRy 0.11
27 DRFpFFWQGRRWRRKyWFRy 0.11
28 PRFyFFRKGRRWRRKyWFRy 0.12
29 sRFyFFWKGRRWRRKyWFRy 0.12
30 PRFyFFRRGRRWRRKyWFRy 0.12
31 sRFyFFWRGRRWRRKyWFRy 0.12
32 PRFyFFRQGRRWRRKyWFRy 0.13
33 sRFyFFWQGRRWRRKyWFRy 0.13
34 PRFpFFRRGRRWRRKyWFRy 0.15
35 sRFsFFWRGRRWRRKyWFRy 0.15
36 sRFpFFWKGRRWRRKyWFRy 0.15
37 PRFsFFRRGRRWRRKyWFRy 0.15
38 PRFsFFRKGRRWRRKyWFRy 0.15
39 sRFsFFWKGRRWRRKyWFRy 0.15
40 sRFpFFWRGRRWRRKyWFRy 0.15
41 PRFpFFRKGRRWRRKyWFRy 0.15
42 sRFsFFWQGRRWRRKyWFRy 0.16
43 PRFsFFRQGRRWRRKyWFRy 0.16
44 sRFpFFWQGRRWRRKyWFRy 0.16
45 PRFpFFRQGRRWRRKyWFRy 0.16
46 DRFyFFRKSRRWRRKyWFRy 0.17
47 DRFyFFRRSRRWRRKyWFRy 0.17
48 DRFyLFRKGRRWRRKyWFRy 0.17
49 DRFyLFRRGRRWRRKyWFRy 0.17
50 DRFyLFRQGRRWRRKyWFRy 0.18
51 DRFyFFRQSRRWRRKyWFRy 0.18
52 PRFyFFWKGRRWRRKyWFRy 0.19
53 PRFyFFWRGRRWRRKyWFRy 0.19
54 DRFsLFRKGRRWRRKyWFRy 0.2
55 DRFpFFRRSRRWRRKyWFRy 0.2
56 DRFsFFRKSRRWRRKyWFRy 0.2
57 DRFpFFRKSRRWRRKyWFRy 0.2
58 PRFyFFWQGRRWRRKyWFRy 0.2
59 DRFsFFRRSRRWRRKyWFRy 0.2
60 DRFpLFRKGRRWRRKyWFRy 0.2
61 DRFyFFRKGRRWRRKyYFRy 0.21
62 DRFyFFRKGRRWRRKyWIRy 0.21
63 DRFsFFRQSRRWRRKyWFRy 0.21
64 DRFsLFRRGRRWRRKyWFRy 0.21
65 DRFpFFRQSRRWRRKyWFRy 0.21
66 DRFsLFRQGRRWRRKyWFRy 0.21
67 DRFpLFRQGRRWRRKyWFRy 0.21
68 DRFpLFRRGRRWRRKyWFRy 0.21
69 DRRyFFRRGRRWRRKyWFRy 0.22
70 DRFyFFRQGRRWRRKyWIRy 0.22
71 DRFyFFRRGRRWRRKyWIRy 0.22
72 PRFsFFWRGRRWRRKyWFRy 0.22
73 sRFyLFRKGRRWRRKyWFRy 0.22
74 PRFpFFWKGRRWRRKyWFRy 0.22
75 DRFyFFRRGRRWRRKyYFRy 0.22
76 PRFsFFWKGRRWRRKyWFRy 0.22
77 DRRyFFRKGRRWRRKyWFRy 0.22
78 sRFyFFRKSRRWRRKyWFRy 0.22
79 sRFyLFRRGRRWRRKyWFRy 0.22
80 sRFyFFRQSRRWRRKyWFRy 0.22
81 PRFpFFWRGRRWRRKyWFRy 0.22
82 sRFyFFRRSRRWRRKyWFRy 0.22
83 DRFyFFRQGRRWRRKyYFRy 0.22
84 PRFsFFWQGRRWRRKyWFRy 0.23
85 DRRyFFRQGRRWRRKyWFRy 0.23
86 sRFyLFRQGRRWRRKyWFRy 0.23
87 PRFpFFWQGRRWRRKyWFRy 0.23
88 DRFyFFWKSRRWRRKyWFRy 0.24
89 DRFyLFWKGRRWRRKyWFRy 0.24
90 DRFyFFWRSRRWRRKyWFRy 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRFsFFRQGRRWRRKyWFRy

5.82

-39.83

-34.01
2 DRFyFFWRGRRWRRKyWFRy

6.68

-38.88

-32.2
3 DRFsFFRKGRRWRRKyWFRy

6.36

-38.09

-31.73
4 DRFpFFRKGRRWRRKyWFRy

5.56

-36.18

-30.62
5 DRFyFFRRGRRWRRKyWFRy

6.41

-37.01

-30.6
6 sRFyFFWKGRRWRRKyWFRy

5.28

-35.64

-30.36
7 sRFpFFRKGRRWRRKyWFRy

5.5

-35.83

-30.33
8 DRFyFFRKGRRWRRKyWFRy

7.35

-36.81

-29.46
9 DRFpFFRRGRRWRRKyWFRy

7.33

-36.21

-28.88
10 sRFpFFRQGRRWRRKyWFRy

6.31

-35.02

-28.71
11 DRFpFFWRGRRWRRKyWFRy

6.03

-34.65

-28.62
12 DRFpFFRQGRRWRRKyWFRy

6.88

-35.18

-28.3
13 DRFpFFWQGRRWRRKyWFRy

6.15

-34.42

-28.27
14 sRFyFFRRGRRWRRKyWFRy

7.74

-35.68

-27.94
15 DRFsFFWRGRRWRRKyWFRy

6.53

-34.17

-27.64
16 sRFsFFRRGRRWRRKyWFRy

7.73

-35.32

-27.59
17 DRFyFFWKGRRWRRKyWFRy

6.24

-33.78

-27.54
18 sRFyFFRQGRRWRRKyWFRy

8.73

-36.25

-27.52
19 DRFyFFWQGRRWRRKyWFRy

9.16

-36.65

-27.49
20 sRFpFFRRGRRWRRKyWFRy

6.78

-34.2

-27.42
21 sRFsFFRKGRRWRRKyWFRy

7.45

-34.78

-27.33
22 PRFyFFRRGRRWRRKyWFRy

6.43

-33.36

-26.93
23 PRFyFFRKGRRWRRKyWFRy

7.42

-34.06

-26.64
24 DRFpFFWKGRRWRRKyWFRy

6.81

-32.83

-26.02
25 sRFyFFRKGRRWRRKyWFRy

8.41

-34.34

-25.93
26 sRFsFFRQGRRWRRKyWFRy

7.48

-33.21

-25.73
27 DRFsFFRRGRRWRRKyWFRy

10.03

-35.48

-25.45
28 DRFsFFWKGRRWRRKyWFRy

7.09

-31.99

-24.9
29 DRFyFFRQGRRWRRKyWFRy

9.73

-33.54

-23.81
30 DRFsFFWQGRRWRRKyWFRy

6.99

-29.81

-22.82

 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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