Predicted ligand sequences


ADAN-name: 1XH72.PDB (view again the scoring matrix)

PDB name: [1XH7.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    

(Help)

Intraclash 4.809 ΔGbinding -30.542
TOTAL
 -25.733
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -9.512 Torsional clash 1.432
Van der Waals -17.693 Backbone clash 0.218
Electrostatics -12.113 Helix dipole 0.172
Solvation Polar 25.204 Water bridges -0.218
Solvation Hyd -21.383 Disulfide 0.000
VdW clashes 0.518 Electrost. Kon -4.633
Entropy sc 7.349 Part.cov.bonds 0.000
Entropy mc

5.160

 ΔGstability

-46.167
       

Predicted ligand sequences for template [1XH72.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).
 
  1XH72.PDB  

(data)
# Predicted Sequences Value Calculate
1 yRQyRFRKLRFLRRRRPFWW 0.0
2 yRQDRFRKLRFLRRRRPFWW 0.02
3 yRQyRFRHLRFLRRRRPFWW 0.03
4 yRQyRFRRLRFLRRRRPFWW 0.03
5 yRQRRFRKLRFLRRRRPFWW 0.04
6 yRQyRFRKLRFLRRRRPFWy 0.04
7 yRQDRFRHLRFLRRRRPFWW 0.05
8 yRQDRFRRLRFLRRRRPFWW 0.05
9 yRQDRFRKLRFLRRRRPFWy 0.06
10 yRQyRFRKLRFLHRRRPFWW 0.07
11 yRQRRFRRLRFLRRRRPFWW 0.07
12 yRQRRFRHLRFLRRRRPFWW 0.07
13 yRQyRFRHLRFLRRRRPFWy 0.08
14 yRQyRFRKLRFLRRRRPMWW 0.08
15 yRQyRFRRLRFLRRRRPFWy 0.08
16 yRQRRFRKLRFLRRRRPFWy 0.08
17 yRQDRFRKLRFLHRRRPFWW 0.09
18 yRQyRFRHLRFLHRRRPFWW 0.1
19 yRQRRFRKLRFLHRRRPFWW 0.1
20 yRQyRFRKLRFLRRRRPFWK 0.1
21 yRQDRFRHLRFLRRRRPFWy 0.1
22 yRQDRFRRLRFLRRRRPFWy 0.1
23 yRQDRFRKLRFLRRRRPMWW 0.1
24 yRQyRFRRLRFLHRRRPFWW 0.1
25 yRQyRFRKLRFLHRRRPFWy 0.11
26 yRQyRFRRLRFLRRRRPMWW 0.11
27 yRQRRFRKLRFLRRRRPMWW 0.11
28 yRQyRFRHLRFLRRRRPMWW 0.11
29 yRQyRFRKLRFLRRRRPMWy 0.12
30 yRQRRFRRLRFLRRRRPFWy 0.12
31 yRQDRFRKLRFLRRRRPFWK 0.12
32 yRQRRFRHLRFLRRRRPFWy 0.12
33 yRQDRFRRLRFLHRRRPFWW 0.12
34 yRQyRFRKLRFLRRRRPVWW 0.12
35 yRQDRFRHLRFLHRRRPFWW 0.12
36 yRQDRFRHLRFLRRRRPMWW 0.13
37 yRQDRFRKLRFLHRRRPFWy 0.13
38 yRQDRFRRLRFLRRRRPMWW 0.13
39 yRQyRFRHLRFLRRRRPFWK 0.14
40 yRQRRFRRLRFLHRRRPFWW 0.14
41 yRQDRFRKLRFLRRRRPMWy 0.14
42 yRQyRFRRLRFLRRRRPFWK 0.14
43 yRQDRFRKLRFLRRRRPVWW 0.14
44 yRQRRFRKLRFLRRRRPFWK 0.14
45 yRQRRFRHLRFLHRRRPFWW 0.14
46 yRQyRFRHLRFLHRRRPFWy 0.15
47 yRQRRFRKLRFLHRRRPFWy 0.15
48 yRQyRFRHLRFLRRRRPVWW 0.15
49 yRQyRFRRLRFLRRRRPVWW 0.15
50 yRQyRFRRLRFLHRRRPFWy 0.15
51 yRQRRFRKLRFLRRRRPVWW 0.15
52 yRQyRFRKHRFLRRRRPFWW 0.15
53 yRQRRFRHLRFLRRRRPMWW 0.15
54 yRQyRFRKLRFLHRRRPMWW 0.15
55 yRQyRFRKLRFLRRRHPFWW 0.15
56 yRQRRFRRLRFLRRRRPMWW 0.15
57 yRQDRFRHLRFLHRRRPFWy 0.16
58 yRQDRFRKLRFLHRRRPMWW 0.16
59 yRQDRFRHLRFLRRRRPFWK 0.16
60 yRQDRFRRLRFLRRRRPFWK 0.16
61 yRQyRFRRLRFLRRRRPMWy 0.16
62 yRQDRFRKHRFLRRRRPFWW 0.16
63 yRQDRFRKLRFLRRRHPFWW 0.16
64 yRQDRFRRLRFLHRRRPFWy 0.16
65 yRQyRFRKLRFLRRRRPVWy 0.16
66 yRQRRFRKLRFLRRRRPMWy 0.16
67 yRQyRFRHLRFLRRRRPMWy 0.16
68 yRQyRFRKLRFLHRRRPFWK 0.17
69 yRQDRFRHLRFLRRRRPMWy 0.17
70 yRQDRFRRLRFLRRRRPVWW 0.17
71 yRQRRFRHLRFLRRRRPFWK 0.17
72 yRQDRFRHLRFLRRRRPVWW 0.17
73 yRQRRFRRLRFLRRRRPFWK 0.17
74 yRQDRFRRLRFLRRRRPMWy 0.17
75 yRQyRFRKLRFLRRRRPMWK 0.18
76 yRQyRFRHLRFLHRRRPMWW 0.18
77 yRQRRFRRLRFLHRRRPFWy 0.18
78 yRQyRFRHLRFLRRRHPFWW 0.18
79 yRQyRFRRLRFLRRRHPFWW 0.18
80 yRQRRFRKLRFLRRRHPFWW 0.18
81 yRQRRFRKLRFLHRRRPMWW 0.18
82 yRQRRFRKHRFLRRRRPFWW 0.18
83 yRQyRFRRLRFLHRRRPMWW 0.18
84 yRQDRFRKLRFLRRRRPVWy 0.18
85 yRQyRFRRHRFLRRRRPFWW 0.18
86 yRQRRFRHLRFLHRRRPFWy 0.18
87 yRQyRFRHHRFLRRRRPFWW 0.18
88 yRQyRFRKLRFLHRRRPVWW 0.19
89 yRQDRFRKLRFLHRRRPFWK 0.19
90 yRQyRFRKHRFLRRRRPFWy 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yRQDRFRKLRFLRRRRPFWy

4.88

-42.26

-37.38
2 yRQyRFRRLRFLRRRRPFWW

7.14

-43.61

-36.47
3 yRQDRFRRLRFLRRRRPFWW

7.54

-43.01

-35.47
4 yRQDRFRRLRFLRRRRPFWy

7.54

-42.85

-35.31
5 yRQRRFRKLRFLRRRRPMWW

5.58

-40.68

-35.1
6 yRQyRFRHLRFLRRRRPFWy

8.09

-42.56

-34.47
7 yRQDRFRHLRFLRRRRPFWy

6.97

-41.1

-34.13
8 yRQRRFRHLRFLRRRRPFWW

8.16

-42.26

-34.1
9 yRQRRFRKLRFLRRRRPFWW

7.03

-41.05

-34.02
10 yRQRRFRRLRFLRRRRPFWW

8.18

-42.07

-33.89
11 yRQDRFRHLRFLRRRRPFWW

7.34

-41.21

-33.87
12 yRQyRFRKLRFLRRRRPMWy

4.78

-38.29

-33.51
13 yRQDRFRKLRFLRRRRPMWW

7.24

-40.35

-33.11
14 yRQyRFRHLRFLRRRRPMWW

8.98

-41.73

-32.75
15 yRQyRFRRLRFLHRRRPFWW

7.43

-40.1

-32.67
16 yRQDRFRKLRFLRRRRPFWW

7.73

-40.26

-32.53
17 yRQyRFRRLRFLRRRRPFWy

7.54

-40.06

-32.52
18 yRQyRFRRLRFLRRRRPMWW

5.47

-37.98

-32.51
19 yRQDRFRKLRFLHRRRPFWW

8.04

-39.84

-31.8
20 yRQyRFRHLRFLRRRRPFWW

11.06

-42.45

-31.39
21 yRQyRFRKLRFLRRRRPFWy

7.39

-38.75

-31.36
22 yRQyRFRKLRFLRRRRPFWK

7.91

-39.13

-31.22
23 yRQRRFRRLRFLRRRRPFWy

6.72

-37.89

-31.17
24 yRQyRFRHLRFLHRRRPFWW

11.07

-41.99

-30.92
25 yRQRRFRKLRFLRRRRPFWy

7.83

-38.73

-30.9
26 yRQyRFRKLRFLRRRRPMWW

7.69

-36.59

-28.9
27 yRQyRFRKLRFLHRRRPFWy

8.75

-37.64

-28.89
28 yRQyRFRKLRFLRRRRPFWW

7.23

-35.52

-28.29
29 yRQyRFRKLRFLHRRRPFWW

7.68

-35.81

-28.13
30 yRQRRFRKLRFLHRRRPFWW

12.22

-39.69

-27.47

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER