Predicted ligand sequences


ADAN-name: 1XHA2.PDB (view again the scoring matrix)

PDB name: [1XHA.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 6.125 ΔGbinding -31.695
TOTAL
 -25.570
Backbone Hb -3.938 Cis_bond 0.000
Sidechain Hb -12.200 Torsional clash 0.909
Van der Waals -16.984 Backbone clash 0.362
Electrostatics -14.339 Helix dipole 0.121
Solvation Polar 25.135 Water bridges -1.198
Solvation Hyd -20.299 Disulfide 0.000
VdW clashes 0.381 Electrost. Kon -5.447
Entropy sc 10.066 Part.cov.bonds 0.000
Entropy mc

6.097

 ΔGstability

-21.095
       

Predicted ligand sequences for template [1XHA2.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).
 
  1XHA2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMFRFFRRYRRDHRRKYIRL 0.0
2 EMFRFFRRYRRDHRRKYIRF 0.02
3 EMFDFFRRYRRDHRRKYIRL 0.02
4 DMFRFFRRYRRDHRRKYIRL 0.02
5 EMFRFFRRHRRDHRRKYIRL 0.03
6 EMFRFMRRYRRDHRRKYIRL 0.03
7 EMFHFFRRYRRDHRRKYIRL 0.03
8 ERFRFFRRYRRDHRRKYIRL 0.03
9 DMFDFFRRYRRDHRRKYIRL 0.04
10 EMFRFFRRYRRDHRRRYIRL 0.04
11 EMFDFFRRYRRDHRRKYIRF 0.04
12 DMFRFFRRHRRDHRRKYIRL 0.05
13 DMFHFFRRYRRDHRRKYIRL 0.05
14 EMFDFFRRHRRDHRRKYIRL 0.05
15 EMFDFMRRYRRDHRRKYIRL 0.05
16 EMFHFFRRYRRDHRRKYIRF 0.05
17 ERFDFFRRYRRDHRRKYIRL 0.05
18 ERFRFFRRYRRDHRRKYIRF 0.05
19 ERFHFFRRYRRDHRRKYIRL 0.05
20 DRFRFFRRYRRDHRRKYIRL 0.05
21 DMFRFFRRYRRDHRRKYIRF 0.05
22 yMFRFFRRYRRDHRRKYIRL 0.05
23 EMFRFFRRHRRDHRRKYIRF 0.05
24 ERFRFFRRHRRDHRRKYIRL 0.06
25 EMFHFFRRYRRDHRRRYIRL 0.06
26 EMFRFFRRYRRDHRRRYIRF 0.06
27 EMFRFMRRHRRDHRRKYIRL 0.06
28 ERFRFFRRYRRDHRRRYIRL 0.06
29 EMFRFMRRYRRDHRRKYIRF 0.06
30 DMFRFMRRYRRDHRRKYIRL 0.06
31 ERFRFMRRYRRDHRRKYIRL 0.06
32 DMFRFFRRYRRDHRRRYIRL 0.06
33 EMFHFMRRYRRDHRRKYIRL 0.06
34 EMFDFFRRYRRDHRRRYIRL 0.06
35 EMFHFFRRHRRDHRRKYIRL 0.06
36 DMFDFFRRYRRDHRRKYIRF 0.07
37 EMFRFMRRYRRDHRRRYIRL 0.07
38 EMFDFFRRHRRDHRRKYIRF 0.07
39 yMFDFFRRYRRDHRRKYIRL 0.07
40 yMFRFFRRYRRDHRRKYIRF 0.07
41 DMFDFFRRHRRDHRRKYIRL 0.07
42 DRFDFFRRYRRDHRRKYIRL 0.07
43 EMFRFFRRHRRDHRRRYIRL 0.07
44 DRFRFFRRYRRDHRRKYIRF 0.07
45 ERFDFFRRYRRDHRRKYIRF 0.07
46 DMFRFFRRHRRDHRRKYIRF 0.08
47 ERFHFFRRHRRDHRRKYIRL 0.08
48 ERFRFFRRHRRDHRRKYIRF 0.08
49 DMFHFFRRYRRDHRRKYIRF 0.08
50 EMFDFMRRHRRDHRRKYIRL 0.08
51 ERFDFFRRYRRDHRRRYIRL 0.08
52 DMFDFFRRYRRDHRRRYIRL 0.08
53 yMFRFMRRYRRDHRRKYIRL 0.08
54 DMFRFMRRYRRDHRRKYIRF 0.08
55 yRFRFFRRYRRDHRRKYIRL 0.08
56 EMFDFMRRYRRDHRRKYIRF 0.08
57 EMWRFFRRYRRDHRRKYIRL 0.08
58 ERFDFMRRYRRDHRRKYIRL 0.08
59 ERFDFFRRHRRDHRRKYIRL 0.08
60 DRFHFFRRYRRDHRRKYIRL 0.08
61 ERFRFMRRYRRDHRRKYIRF 0.08
62 DMFRFFRRYRRDHRRRYIRF 0.08
63 DMFDFMRRYRRDHRRKYIRL 0.08
64 EMFHFMRRYRRDHRRKYIRF 0.08
65 DMFHFFRRHRRDHRRKYIRL 0.08
66 DMFHFMRRYRRDHRRKYIRL 0.08
67 EMFDFFRRYRRDHRRRYIRF 0.08
68 EMFHFFRRHRRDHRRKYIRF 0.08
69 DRFRFMRRYRRDHRRKYIRL 0.08
70 EMFRFFRKYRRDHRRKYIRL 0.08
71 ERFHFFRRYRRDHRRKYIRF 0.08
72 yMFHFFRRYRRDHRRKYIRL 0.08
73 EMFRFFRRYRRDHRRKYIRK 0.08
74 DRFRFFRRHRRDHRRKYIRL 0.08
75 yMFRFFRRHRRDHRRKYIRL 0.08
76 EMFRFFRRYRRDHRRKYFRL 0.09
77 DMFRFMRRYRRDHRRRYIRL 0.09
78 EMFHFFRRHRRDHRRRYIRL 0.09
79 ERFHFMRRYRRDHRRKYIRL 0.09
80 DMFHFFRRYRRDHRRRYIRL 0.09
81 EMFDFFRRHRRDHRRRYIRL 0.09
82 EMFHFFRRYRRDHRRRYIRF 0.09
83 EMFRFMRRHRRDHRRKYIRF 0.09
84 EMFDFMRRYRRDHRRRYIRL 0.09
85 ERFHFFRRYRRDHRRRYIRL 0.09
86 ERFRFFRRYRRDHRRRYIRF 0.09
87 yMFRFFRRYRRDHRRRYIRL 0.09
88 EMFRFMRRYRRDHRRRYIRF 0.09
89 DMFRFFRRHRRDHRRRYIRL 0.09
90 DRFRFFRRYRRDHRRRYIRL 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRFRFFRRYRRDHRRKYIRL

8.56

-42.02

-33.46
2 ERFRFFRRHRRDHRRKYIRL

8.44

-41.36

-32.92
3 ERFHFFRRYRRDHRRKYIRL

8.67

-41.0

-32.33
4 ERFDFFRRYRRDHRRKYIRL

8.92

-41.04

-32.12
5 ERFRFFRRYRRDHRRRYIRL

9.03

-40.79

-31.76
6 DMFRFFRRYRRDHRRKYIRL

9.18

-40.77

-31.59
7 DMFRFMRRYRRDHRRKYIRL

8.96

-40.54

-31.58
8 EMFDFMRRYRRDHRRKYIRL

7.67

-38.93

-31.26
9 EMFHFFRRYRRDHRRKYIRL

8.37

-39.62

-31.25
10 EMFRFFRRYRRDHRRRYIRL

8.07

-38.87

-30.8
11 EMFRFMRRYRRDHRRKYIRF

7.68

-38.46

-30.78
12 DMFHFFRRYRRDHRRKYIRL

7.95

-38.04

-30.09
13 ERFRFFRRYRRDHRRKYIRF

8.37

-38.15

-29.78
14 DMFRFFRRYRRDHRRKYIRF

8.18

-37.64

-29.46
15 DMFDFFRRYRRDHRRKYIRL

6.91

-36.32

-29.41
16 EMFRFMRRHRRDHRRKYIRL

13.53

-42.93

-29.4
17 EMFHFFRRYRRDHRRKYIRF

7.71

-37.03

-29.32
18 EMFHFFRRYRRDHRRRYIRL

8.89

-38.14

-29.25
19 EMFRFFRRYRRDHRRKYIRF

8.17

-37.37

-29.2
20 EMFRFMRRYRRDHRRKYIRL

8.83

-37.91

-29.08
21 EMFDFFRRYRRDHRRKYIRF

8.78

-37.65

-28.87
22 EMFRFFRRYRRDHRRKYIRL

9.06

-37.77

-28.71
23 yMFRFFRRYRRDHRRKYIRL

8.62

-36.6

-27.98
24 DMFRFFRRHRRDHRRKYIRL

7.85

-34.27

-26.42
25 EMFDFFRRYRRDHRRKYIRL

8.16

-34.08

-25.92
26 EMFRFFRRHRRDHRRKYIRL

15.6

-39.97

-24.37
27 EMFRFFRRHRRDHRRKYIRF

14.11

-36.34

-22.23
28 EMFDFFRRHRRDHRRKYIRL

12.92

-29.78

-16.86
29 EMFRFFRRYRRDHRRRYIRF

20.1

-14.79

5.31
30 ERFRFFRRYRRDHRRKYIRL

21.81

-15.12

6.69

 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