Predicted ligand sequences


ADAN-name: 1XH52.PDB (view again the scoring matrix)

PDB name: [1XH5.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 1.730 ΔGbinding -33.325
TOTAL
 -31.595
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -11.625 Torsional clash 0.948
Van der Waals -16.145 Backbone clash 0.173
Electrostatics -12.928 Helix dipole 0.092
Solvation Polar 24.002 Water bridges -0.240
Solvation Hyd -19.745 Disulfide 0.000
VdW clashes 0.512 Electrost. Kon -5.241
Entropy sc 7.644 Part.cov.bonds 0.000
Entropy mc

4.226

 ΔGstability

-66.148
       

Predicted ligand sequences for template [1XH52.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).
 
  1XH52.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERYDWYRRMSILRRRKFRRL 0.0
2 ERYDWYRKMSILRRRKFRRL 0.0
3 DRYDWYRKMSILRRRKFRRL 0.01
4 ERYDWYRVMSILRRRKFRRL 0.01
5 ERYyWYRKMSILRRRKFRRL 0.01
6 DRYDWYRVMSILRRRKFRRL 0.01
7 DRYDWYRRMSILRRRKFRRL 0.01
8 ERYpWYRKMSILRRRKFRRL 0.02
9 DRYyWYRRMSILRRRKFRRL 0.02
10 ERYyWYRRMSILRRRKFRRL 0.02
11 DRYyWYRKMSILRRRKFRRL 0.02
12 ERYpWYRRMSILRRRKFRRL 0.02
13 ERYyWYRVMSILRRRKFRRL 0.02
14 DRYpWYRRMSILRRRKFRRL 0.03
15 ERYpWYRVMSILRRRKFRRL 0.03
16 DRYyWYRVMSILRRRKFRRL 0.03
17 DRYpWYRKMSILRRRKFRRL 0.03
18 DRYpWYRVMSILRRRKFRRL 0.04
19 yRYDWYRRMSILRRRKFRRL 0.04
20 yRYDWYRKMSILRRRKFRRL 0.04
21 yRYDWYRVMSILRRRKFRRL 0.05
22 yRYyWYRRMSILRRRKFRRL 0.06
23 ERWDWYRRMSILRRRKFRRL 0.06
24 ERWDWYRKMSILRRRKFRRL 0.06
25 yRYyWYRKMSILRRRKFRRL 0.06
26 DRWDWYRRMSILRRRKFRRL 0.07
27 yRYpWYRVMSILRRRKFRRL 0.07
28 yRYpWYRKMSILRRRKFRRL 0.07
29 ERWDWYRVMSILRRRKFRRL 0.07
30 yRYyWYRVMSILRRRKFRRL 0.07
31 yRYpWYRRMSILRRRKFRRL 0.07
32 DRWDWYRKMSILRRRKFRRL 0.07
33 ERYDWYRKMSIIRRRKFRRL 0.07
34 DRYDWYRKMSIIRRRKFRRL 0.08
35 ERYDWYRVMSIIRRRKFRRL 0.08
36 ERWyWYRRMSILRRRKFRRL 0.08
37 ERYDWYRRMSIIRRRKFRRL 0.08
38 DRWDWYRVMSILRRRKFRRL 0.08
39 ERYDWYRRMSILRRRKFRRI 0.08
40 DRYDWYRRMSIIRRRKFRRL 0.08
41 ERYDWYRKMSILRRRRFRRL 0.08
42 DRYDWYRKMSILRRRRFRRL 0.08
43 ERWyWYRKMSILRRRKFRRL 0.08
44 ERYDWYRKMSILRRRKFRRI 0.08
45 ERYDWYRRMSILRRRRFRRL 0.08
46 DRYDWYRRMSILRRRRFRRL 0.08
47 ERYDWYRVMSILRRRRFRRL 0.08
48 DRYDWYRKMSILRRRKFRRI 0.09
49 ERYyWYRRMSILRRRRFRRL 0.09
50 DRWyWYRRMSILRRRKFRRL 0.09
51 DRYDWYRVMSILRRRRFRRL 0.09
52 ERWyWYRVMSILRRRKFRRL 0.09
53 ERYDWYRVMSILRRRKFRRI 0.09
54 ERWpWYRKMSILRRRKFRRL 0.09
55 ERWpWYRRMSILRRRKFRRL 0.09
56 DRWyWYRVMSILRRRKFRRL 0.09
57 DRWpWYRKMSILRRRKFRRL 0.09
58 ERWpWYRVMSILRRRKFRRL 0.09
59 ERYyWYRRMSIIRRRKFRRL 0.09
60 DRWyWYRKMSILRRRKFRRL 0.09
61 ERYyWYRKMSIIRRRKFRRL 0.09
62 ERYyWYRKMSILRRRRFRRL 0.09
63 DRYDWYRVMSILRRRKFRRI 0.09
64 DRYDWYRVMSIIRRRKFRRL 0.09
65 DRYDWYRRMSILRRRKFRRI 0.09
66 DRWpWYRRMSILRRRKFRRL 0.09
67 ERYpWYRKMSILRRRKFRRI 0.1
68 DRYyWYRRMSILRRRKFRRI 0.1
69 ERYpWYRVMSIIRRRKFRRL 0.1
70 ERYyWYRRMSILRRRKFRRI 0.1
71 DRYpWYRKMSILRRRRFRRL 0.1
72 ERYpWYRRMSILRRRKFRRI 0.1
73 DRYpWYRRMSIIRRRKFRRL 0.1
74 ERYpWYRKMSIIRRRKFRRL 0.1
75 DRYyWYRKMSIIRRRKFRRL 0.1
76 DRYyWYRKMSILRRRKFRRI 0.1
77 DRYyWYRKMSILRRRRFRRL 0.1
78 ERYpWYRRMSILRRRRFRRL 0.1
79 DRYyWYRVMSIIRRRKFRRL 0.1
80 ERYyWYRKMSILRRRKFRRI 0.1
81 ERYyWYRVMSIIRRRKFRRL 0.1
82 ERYyWYRVMSILRRRKFRRI 0.1
83 DRWpWYRVMSILRRRKFRRL 0.1
84 DRYyWYRRMSIIRRRKFRRL 0.1
85 DRYpWYRRMSILRRRRFRRL 0.1
86 DRYpWYRKMSIIRRRKFRRL 0.1
87 ERYyWYRVMSILRRRRFRRL 0.1
88 ERYpWYRKMSILRRRRFRRL 0.1
89 DRYyWYRRMSILRRRRFRRL 0.1
90 ERYpWYRRMSIIRRRKFRRL 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yRYDWYRKMSILRRRKFRRL

4.88

-40.92

-36.04
2 ERYyWYRKMSILRRRKFRRL

4.09

-39.97

-35.88
3 yRYDWYRRMSILRRRKFRRL

4.97

-39.58

-34.61
4 yRYpWYRKMSILRRRKFRRL

4.96

-38.26

-33.3
5 yRYpWYRVMSILRRRKFRRL

4.76

-36.36

-31.6
6 DRYyWYRRMSILRRRKFRRL

4.1

-35.63

-31.53
7 DRYpWYRKMSILRRRKFRRL

7.33

-38.76

-31.43
8 ERWDWYRRMSILRRRKFRRL

3.6

-34.04

-30.44
9 ERYpWYRRMSILRRRKFRRL

4.6

-34.12

-29.52
10 DRYDWYRRMSILRRRKFRRL

4.76

-33.62

-28.86
11 yRYyWYRVMSILRRRKFRRL

4.73

-33.34

-28.61
12 ERWDWYRVMSILRRRKFRRL

4.18

-32.7

-28.52
13 ERYDWYRKMSILRRRKFRRL

4.04

-32.42

-28.38
14 yRYDWYRVMSILRRRKFRRL

6.74

-34.94

-28.2
15 DRYyWYRKMSILRRRKFRRL

6.49

-34.63

-28.14
16 DRYDWYRVMSILRRRKFRRL

3.85

-31.94

-28.09
17 ERYyWYRRMSILRRRKFRRL

3.77

-31.71

-27.94
18 ERWDWYRKMSILRRRKFRRL

3.98

-31.71

-27.73
19 DRYpWYRVMSILRRRKFRRL

5.01

-32.63

-27.62
20 DRYpWYRRMSILRRRKFRRL

4.69

-31.99

-27.3
21 ERYDWYRRMSILRRRKFRRL

6.72

-33.89

-27.17
22 ERYpWYRVMSILRRRKFRRL

3.5

-30.49

-26.99
23 yRYyWYRKMSILRRRKFRRL

5.71

-32.68

-26.97
24 ERYyWYRVMSILRRRKFRRL

4.33

-31.17

-26.84
25 DRYyWYRVMSILRRRKFRRL

5.43

-31.84

-26.41
26 yRYyWYRRMSILRRRKFRRL

3.94

-29.47

-25.53
27 DRYDWYRKMSILRRRKFRRL

4.05

-29.35

-25.3
28 DRWDWYRRMSILRRRKFRRL

4.76

-29.91

-25.15
29 ERYDWYRVMSILRRRKFRRL

4.55

-28.56

-24.01
30 ERYpWYRKMSILRRRKFRRL

7.27

-29.71

-22.44

 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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