Predicted ligand sequences


ADAN-name: 1XH92.PDB (view again the scoring matrix)

PDB name: [1XH9.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 5.398 ΔGbinding -29.769
TOTAL
 -24.371
Backbone Hb -6.988 Cis_bond 0.000
Sidechain Hb -10.512 Torsional clash 1.193
Van der Waals -18.555 Backbone clash 0.244
Electrostatics -13.356 Helix dipole 0.066
Solvation Polar 31.682 Water bridges -0.176
Solvation Hyd -21.797 Disulfide 0.000
VdW clashes 0.218 Electrost. Kon -4.777
Entropy sc 7.753 Part.cov.bonds 0.000
Entropy mc

5.481

 ΔGstability

-89.647
       

Predicted ligand sequences for template [1XH92.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).
 
  1XH92.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRFyWFRHMKWMRRRRRFRF 0.0
2 DRFyWFRRMKWMRRRRRFRF 0.0
3 DRFyWFRHMSWMRRRRRFRF 0.03
4 sRFyWFRHMKWMRRRRRFRF 0.03
5 DRFyWFRKMKWMRRRRRFRF 0.03
6 DRFDWFRHMKWMRRRRRFRF 0.03
7 DRFDWFRRMKWMRRRRRFRF 0.04
8 sRFyWFRRMKWMRRRRRFRF 0.04
9 DRFyWFRRMSWMRRRRRFRF 0.04
10 DRFyWFRKMSWMRRRRRFRF 0.06
11 DRFsWFRHMKWMRRRRRFRF 0.06
12 DRFDWFRKMKWMRRRRRFRF 0.06
13 sRFyWFRKMKWMRRRRRFRF 0.06
14 sRFyWFRHMSWMRRRRRFRF 0.07
15 yRFyWFRHMKWMRRRRRFRF 0.07
16 DRFDWFRHMSWMRRRRRFRF 0.07
17 DRFsWFRRMKWMRRRRRFRF 0.07
18 sRFyWFRRMSWMRRRRRFRF 0.07
19 DRFDWFRRMSWMRRRRRFRF 0.07
20 DRFyWFRRMRWMRRRRRFRF 0.07
21 sRFDWFRHMKWMRRRRRFRF 0.07
22 sRFDWFRRMKWMRRRRRFRF 0.07
23 DRFyWFRHMRWMRRRRRFRF 0.07
24 yRFyWFRRMKWMRRRRRFRF 0.08
25 sRFyWFRKMSWMRRRRRFRF 0.09
26 DRFDWFRKMSWMRRRRRFRF 0.09
27 DRFyWFRKMRWMRRRRRFRF 0.09
28 DRFsWFRKMKWMRRRRRFRF 0.09
29 sRFDWFRKMKWMRRRRRFRF 0.09
30 sRFDWFRRMSWMRRRRRFRF 0.1
31 DRFsWFRRMSWMRRRRRFRF 0.1
32 DRFDWFRHMRWMRRRRRFRF 0.1
33 sRFDWFRHMSWMRRRRRFRF 0.1
34 DRFDWFRRMRWMRRRRRFRF 0.1
35 sRFyWFRHMRWMRRRRRFRF 0.1
36 sRFsWFRRMKWMRRRRRFRF 0.1
37 yRFyWFRKMKWMRRRRRFRF 0.1
38 sRFyWFRRMRWMRRRRRFRF 0.1
39 DRFsWFRHMSWMRRRRRFRF 0.1
40 sRFsWFRHMKWMRRRRRFRF 0.1
41 yRFDWFRRMKWMRRRRRFRF 0.11
42 yRFyWFRRMSWMRRRRRFRF 0.11
43 yRFyWFRHMSWMRRRRRFRF 0.11
44 yRFDWFRHMKWMRRRRRFRF 0.11
45 DRFsWFRKMSWMRRRRRFRF 0.12
46 sRFDWFRKMSWMRRRRRFRF 0.12
47 sRFsWFRKMKWMRRRRRFRF 0.12
48 sRFDWFRHMRWMRRRRRFRF 0.13
49 DRFsWFRRMRWMRRRRRFRF 0.13
50 sRFyWFRKMRWMRRRRRFRF 0.13
51 sRFsWFRHMSWMRRRRRFRF 0.13
52 sRFsWFRRMSWMRRRRRFRF 0.13
53 yRFDWFRKMKWMRRRRRFRF 0.13
54 DRFDWFRKMRWMRRRRRFRF 0.13
55 DRFsWFRHMRWMRRRRRFRF 0.13
56 yRFyWFRKMSWMRRRRRFRF 0.13
57 yRFDWFRHMSWMRRRRRFRF 0.14
58 yRFyWFRRMRWMRRRRRFRF 0.14
59 yRFsWFRHMKWMRRRRRFRF 0.14
60 DRRyWFRHMKWMRRRRRFRF 0.14
61 yRFyWFRHMRWMRRRRRFRF 0.14
62 DRRyWFRRMKWMRRRRRFRF 0.14
63 sRFDWFRRMRWMRRRRRFRF 0.14
64 yRFsWFRRMKWMRRRRRFRF 0.14
65 yRFDWFRRMSWMRRRRRFRF 0.14
66 DRFyWFRHMKWMRRRRRFRy 0.15
67 sRFsWFRKMSWMRRRRRFRF 0.15
68 sRFsWFRHMRWMRRRRRFRF 0.16
69 sRFDWFRKMRWMRRRRRFRF 0.16
70 yRFDWFRKMSWMRRRRRFRF 0.16
71 yRFsWFRKMKWMRRRRRFRF 0.16
72 DRFsWFRKMRWMRRRRRFRF 0.16
73 DRFyWFRRMKWMRRRRRFRy 0.16
74 DRRyWFRHMSWMRRRRRFRF 0.17
75 yRFsWFRRMSWMRRRRRFRF 0.17
76 DRRDWFRHMKWMRRRRRFRF 0.17
77 sRRyWFRHMKWMRRRRRFRF 0.17
78 sRFsWFRRMRWMRRRRRFRF 0.17
79 yRFDWFRHMRWMRRRRRFRF 0.17
80 yRFsWFRHMSWMRRRRRFRF 0.17
81 yRFyWFRKMRWMRRRRRFRF 0.17
82 DRRyWFRKMKWMRRRRRFRF 0.17
83 DRFyWFRHMKWMRRRRRFRH 0.18
84 DRRDWFRRMKWMRRRRRFRF 0.18
85 yRFDWFRRMRWMRRRRRFRF 0.18
86 sRRyWFRRMKWMRRRRRFRF 0.18
87 DRFyWFRKMKWMRRRRRFRy 0.18
88 DRRyWFRRMSWMRRRRRFRF 0.18
89 DRFyWFRHMSWMRRRRRFRy 0.19
90 DRFDWFRRMKWMRRRRRFRy 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRFyWFRRMRWMRRRRRFRF

5.11

-40.41

-35.3
2 yRFyWFRRMKWMRRRRRFRF

6.13

-41.38

-35.25
3 DRFyWFRHMRWMRRRRRFRF

6.25

-41.18

-34.93
4 sRFyWFRHMKWMRRRRRFRF

5.66

-40.58

-34.92
5 sRFDWFRRMKWMRRRRRFRF

5.05

-39.87

-34.82
6 sRFDWFRKMKWMRRRRRFRF

5.01

-39.27

-34.26
7 DRFsWFRRMKWMRRRRRFRF

5.31

-39.44

-34.13
8 DRFyWFRKMKWMRRRRRFRF

5.32

-39.17

-33.85
9 DRFDWFRKMSWMRRRRRFRF

5.95

-39.7

-33.75
10 DRFyWFRRMKWMRRRRRFRF

5.1

-38.84

-33.74
11 sRFyWFRRMKWMRRRRRFRF

5.27

-38.83

-33.56
12 sRFyWFRRMSWMRRRRRFRF

5.2

-38.68

-33.48
13 DRFDWFRKMKWMRRRRRFRF

5.65

-38.97

-33.32
14 DRFyWFRHMSWMRRRRRFRF

5.27

-38.35

-33.08
15 DRFDWFRHMSWMRRRRRFRF

5.18

-37.8

-32.62
16 DRFyWFRKMSWMRRRRRFRF

4.8

-37.32

-32.52
17 DRFyWFRKMRWMRRRRRFRF

5.77

-38.23

-32.46
18 DRFDWFRRMKWMRRRRRFRF

5.13

-37.47

-32.34
19 sRFyWFRHMSWMRRRRRFRF

5.32

-37.62

-32.3
20 yRFyWFRHMKWMRRRRRFRF

5.41

-37.44

-32.03
21 sRFDWFRHMKWMRRRRRFRF

5.38

-37.38

-32.0
22 DRFyWFRHMKWMRRRRRFRF

5.39

-37.33

-31.94
23 sRFyWFRKMSWMRRRRRFRF

6.77

-38.2

-31.43
24 DRFsWFRKMKWMRRRRRFRF

5.72

-37.06

-31.34
25 sRFyWFRKMKWMRRRRRFRF

5.61

-36.46

-30.85
26 DRFDWFRHMKWMRRRRRFRF

5.06

-35.59

-30.53
27 DRFDWFRRMSWMRRRRRFRF

5.04

-34.33

-29.29
28 sRFDWFRRMSWMRRRRRFRF

5.76

-34.95

-29.19
29 DRFyWFRRMSWMRRRRRFRF

12.27

-36.52

-24.25
30 DRFsWFRHMKWMRRRRRFRF

8.72

-32.15

-23.43

 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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