Predicted ligand sequences


ADAN-name: 1XH82.PDB (view again the scoring matrix)

PDB name: [1XH8.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 5.371 ΔGbinding -27.435
TOTAL
 -22.064
Backbone Hb -3.938 Cis_bond 0.000
Sidechain Hb -9.363 Torsional clash 1.036
Van der Waals -16.536 Backbone clash 0.123
Electrostatics -11.618 Helix dipole 0.106
Solvation Polar 24.307 Water bridges -0.285
Solvation Hyd -20.155 Disulfide 0.000
VdW clashes 0.630 Electrost. Kon -4.378
Entropy sc 6.364 Part.cov.bonds 0.000
Entropy mc

6.393

 ΔGstability

-65.208
       

Predicted ligand sequences for template [1XH82.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).
 
  1XH82.PDB  

(data)
# Predicted Sequences Value Calculate
1 yREDWYyHCGRRRRRRRIGW 0.0
2 yREDWYMHCGRRRRRRRIGW 0.01
3 yREsWYyHCGRRRRRRRIGW 0.03
4 yREDWYEHCGRRRRRRRIGW 0.03
5 yREDWYyHMGRRRRRRRIGW 0.04
6 yREpWYyHCGRRRRRRRIGW 0.04
7 yREpWYMHCGRRRRRRRIGW 0.04
8 yREDWYyKCGRRRRRRRIGW 0.04
9 yREsWYMHCGRRRRRRRIGW 0.04
10 yREDWYMHMGRRRRRRRIGW 0.05
11 yREDWYMKCGRRRRRRRIGW 0.05
12 yREDWYyQCGRRRRRRRIGW 0.05
13 yREDWYMQCGRRRRRRRIGW 0.06
14 yREsWYEHCGRRRRRRRIGW 0.06
15 yREDWYyHCGRRRRRRWIGW 0.07
16 yREDWYEHMGRRRRRRRIGW 0.07
17 yREpWYEHCGRRRRRRRIGW 0.07
18 yREDWYEKCGRRRRRRRIGW 0.07
19 yREsWYyQCGRRRRRRRIGW 0.08
20 yREpWYyKCGRRRRRRRIGW 0.08
21 yREsWYyHMGRRRRRRRIGW 0.08
22 yREDWYEQCGRRRRRRRIGW 0.08
23 yREpWYyQCGRRRRRRRIGW 0.08
24 yREDWYMHCGRRRRRRWIGW 0.08
25 yREpWYyHMGRRRRRRRIGW 0.08
26 yREsWYMHMGRRRRRRRIGW 0.08
27 yREsWYyKCGRRRRRRRIGW 0.08
28 yREpWYMQCGRRRRRRRIGW 0.09
29 yREsWYMKCGRRRRRRRIGW 0.09
30 yREDWYyQMGRRRRRRRIGW 0.09
31 yREsWYMQCGRRRRRRRIGW 0.09
32 yREDWYyKMGRRRRRRRIGW 0.09
33 yREpWYMHMGRRRRRRRIGW 0.09
34 yREpWYMKCGRRRRRRRIGW 0.09
35 yREsWYyHCGRRRRRRWIGW 0.1
36 yREDWYMKMGRRRRRRRIGW 0.1
37 yREDWYyHRGRRRRRRRIGW 0.1
38 yREDWYEHCGRRRRRRWIGW 0.1
39 yREDWYMQMGRRRRRRRIGW 0.1
40 yREsWYMHCGRRRRRRWIGW 0.11
41 yREsWYEHMGRRRRRRRIGW 0.11
42 yREDWYMHRGRRRRRRRIGW 0.11
43 yREDWYyHMGRRRRRRWIGW 0.11
44 yREsWYEQCGRRRRRRRIGW 0.11
45 yREpWYEKCGRRRRRRRIGW 0.11
46 yREpWYMHCGRRRRRRWIGW 0.11
47 yREpWYEHMGRRRRRRRIGW 0.11
48 yREDWYyKCGRRRRRRWIGW 0.11
49 yREsWYEKCGRRRRRRRIGW 0.11
50 yREpWYyHCGRRRRRRWIGW 0.11
51 yREpWYEQCGRRRRRRRIGW 0.11
52 yREsWYyQMGRRRRRRRIGW 0.12
53 yREpWYyKMGRRRRRRRIGW 0.12
54 yREDWYyQCGRRRRRRWIGW 0.12
55 yREDWYMKCGRRRRRRWIGW 0.12
56 yREDWYEQMGRRRRRRRIGW 0.12
57 yREDWYMQCGRRRRRRWIGW 0.12
58 yREsWYyKMGRRRRRRRIGW 0.12
59 yREDWYEKMGRRRRRRRIGW 0.12
60 yREDWYMHMGRRRRRRWIGW 0.12
61 yREsWYMQMGRRRRRRRIGW 0.13
62 yREsWYMKMGRRRRRRRIGW 0.13
63 yREsWYEHCGRRRRRRWIGW 0.13
64 yREsWYyHRGRRRRRRRIGW 0.13
65 yREpWYMQMGRRRRRRRIGW 0.13
66 yREpWYyQMGRRRRRRRIGW 0.13
67 yREpWYMKMGRRRRRRRIGW 0.13
68 yREDWYEHRGRRRRRRRIGW 0.13
69 yyEDWYyHCGRRRRRRRIGW 0.13
70 yREDWYEHMGRRRRRRWIGW 0.14
71 yREpWYEHCGRRRRRRWIGW 0.14
72 yREDWYEKCGRRRRRRWIGW 0.14
73 yyEDWYMHCGRRRRRRRIGW 0.14
74 yREpWYMHRGRRRRRRRIGW 0.14
75 yREDWYyKRGRRRRRRRIGW 0.14
76 yREsWYMHRGRRRRRRRIGW 0.14
77 yREpWYyHRGRRRRRRRIGW 0.14
78 yREsWYyKCGRRRRRRWIGW 0.15
79 yREpWYyQCGRRRRRRWIGW 0.15
80 yREsWYEQMGRRRRRRRIGW 0.15
81 yREsWYMHMGRRRRRRWIGW 0.15
82 yREsWYyQCGRRRRRRWIGW 0.15
83 yREpWYEKMGRRRRRRRIGW 0.15
84 yREsWYEKMGRRRRRRRIGW 0.15
85 yREpWYyKCGRRRRRRWIGW 0.15
86 yREsWYyHMGRRRRRRWIGW 0.15
87 yREDWYMKRGRRRRRRRIGW 0.15
88 yREpWYyHMGRRRRRRWIGW 0.15
89 yREDWYyQRGRRRRRRRIGW 0.15
90 yREDWYEQCGRRRRRRWIGW 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yREDWYEHCGRRRRRRRIGW

3.03

-38.95

-35.92
2 yREDWYMQCGRRRRRRRIGW

3.6

-38.25

-34.65
3 yREpWYEHCGRRRRRRRIGW

2.77

-36.84

-34.07
4 yREpWYMQCGRRRRRRRIGW

3.13

-37.01

-33.88
5 yREpWYyHCGRRRRRRRIGW

2.94

-36.76

-33.82
6 yREsWYyKCGRRRRRRRIGW

3.83

-37.48

-33.65
7 yREpWYyKCGRRRRRRRIGW

2.92

-36.43

-33.51
8 yREpWYMHCGRRRRRRRIGW

2.85

-36.06

-33.21
9 yREDWYMHCGRRRRRRWIGW

3.19

-36.38

-33.19
10 yREDWYyHCGRRRRRRRIGW

3.6

-36.77

-33.17
11 yREDWYEHMGRRRRRRRIGW

4.23

-36.92

-32.69
12 yREDWYEQCGRRRRRRRIGW

3.42

-34.44

-31.02
13 yREDWYyQCGRRRRRRRIGW

3.33

-34.29

-30.96
14 yREDWYEKCGRRRRRRRIGW

3.01

-33.78

-30.77
15 yREDWYMHCGRRRRRRRIGW

3.25

-33.98

-30.73
16 yREsWYMKCGRRRRRRRIGW

3.21

-33.63

-30.42
17 yREsWYMHCGRRRRRRRIGW

3.4

-33.67

-30.27
18 yREsWYyHCGRRRRRRRIGW

3.41

-33.51

-30.1
19 yREDWYyQMGRRRRRRRIGW

4.63

-34.34

-29.71
20 yREDWYMKCGRRRRRRRIGW

3.44

-33.15

-29.71
21 yREsWYMHMGRRRRRRRIGW

4.17

-33.36

-29.19
22 yREDWYyHMGRRRRRRRIGW

4.92

-33.63

-28.71
23 yREDWYyKCGRRRRRRRIGW

3.3

-31.94

-28.64
24 yREsWYyQCGRRRRRRRIGW

3.2

-31.84

-28.64
25 yREDWYyHCGRRRRRRWIGW

3.51

-31.59

-28.08
26 yREpWYyQCGRRRRRRRIGW

3.19

-30.35

-27.16
27 yREpWYyHMGRRRRRRRIGW

5.69

-32.43

-26.74
28 yREsWYEHCGRRRRRRRIGW

5.19

-31.61

-26.42
29 yREDWYMHMGRRRRRRRIGW

4.16

-29.67

-25.51
30 yREsWYyHMGRRRRRRRIGW

6.59

-29.63

-23.04

 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