Predicted ligand sequences


ADAN-name: 1RDQ2.PDB (view again the scoring matrix)

PDB name: [1RDQ.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 7.433 ΔGbinding -38.920
TOTAL
 -31.487
Backbone Hb -9.325 Cis_bond 0.000
Sidechain Hb -16.562 Torsional clash 1.180
Van der Waals -20.392 Backbone clash 0.440
Electrostatics -12.501 Helix dipole 0.125
Solvation Polar 31.051 Water bridges -0.364
Solvation Hyd -24.854 Disulfide 0.000
VdW clashes 0.780 Electrost. Kon -4.986
Entropy sc 9.293 Part.cov.bonds 0.000
Entropy mc

7.635

 ΔGstability

-65.887
       

Predicted ligand sequences for template [1RDQ2.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).
 
  1RDQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMEDLFRRyNRFRRRWRIyM 0.0
2 EMEDLFRRyNRFKRRWRIyM 0.0
3 EMEDFFRRyNRFKRRWRIyM 0.02
4 EMEDFFRRyNRFRRRWRIyM 0.02
5 DMEDLFRRyNRFRRRWRIyM 0.02
6 DMEDLFRRyNRFKRRWRIyM 0.02
7 EMEyLFRRyNRFRRRWRIyM 0.03
8 EMEyLFRRyNRFKRRWRIyM 0.03
9 DMEDFFRRyNRFKRRWRIyM 0.04
10 DMEDFFRRyNRFRRRWRIyM 0.04
11 EMEpLFRRyNRFRRRWRIyM 0.04
12 EMEDLFRKyNRFRRRWRIyM 0.05
13 EMEDLFRKyNRFKRRWRIyM 0.05
14 EMEpLFRRyNRFKRRWRIyM 0.05
15 EMEyFFRRyNRFRRRWRIyM 0.05
16 DMEyLFRRyNRFKRRWRIyM 0.05
17 EMEyFFRRyNRFKRRWRIyM 0.05
18 DMEyLFRRyNRFRRRWRIyM 0.05
19 pMEDLFRRyNRFRRRWRIyM 0.05
20 pMEDLFRRyNRFKRRWRIyM 0.05
21 EMEpFFRRyNRFRRRWRIyM 0.06
22 DMEpLFRRyNRFRRRWRIyM 0.06
23 EMEDLFRIyNRFRRRWRIyM 0.06
24 EMEDLFRIyNRFKRRWRIyM 0.06
25 DMEDLFRIyNRFRRRWRIyM 0.07
26 EMEDLFRRyNRFRRRWRIyD 0.07
27 DMEDLFRKyNRFRRRWRIyM 0.07
28 EMEpFFRRyNRFKRRWRIyM 0.07
29 pMEDFFRRyNRFRRRWRIyM 0.07
30 DMEyFFRRyNRFRRRWRIyM 0.07
31 DMEyFFRRyNRFKRRWRIyM 0.07
32 EMEDLFRRyNRFKRRWRIyD 0.07
33 DMEDLFRKyNRFKRRWRIyM 0.07
34 DMEpLFRRyNRFKRRWRIyM 0.07
35 EMEDFFRKyNRFRRRWRIyM 0.07
36 EMEDFFRKyNRFKRRWRIyM 0.07
37 pMEDFFRRyNRFKRRWRIyM 0.07
38 EMEDFFRIyNRFKRRWRIyM 0.08
39 pMEyLFRRyNRFKRRWRIyM 0.08
40 EMEyLFRKyNRFRRRWRIyM 0.08
41 DMEpFFRRyNRFRRRWRIyM 0.08
42 DMEDLFRIyNRFKRRWRIyM 0.08
43 pMEyLFRRyNRFRRRWRIyM 0.08
44 EMEyLFRKyNRFKRRWRIyM 0.08
45 EMEDFFRIyNRFRRRWRIyM 0.08
46 EMEyLFRIyNRFKRRWRIyM 0.09
47 DMEDFFRKyNRFRRRWRIyM 0.09
48 DMEDFFRKyNRFKRRWRIyM 0.09
49 DMEpFFRRyNRFKRRWRIyM 0.09
50 EMEDFFRRyNRFRRRWRIyD 0.09
51 DMEDFFRIyNRFRRRWRIyM 0.09
52 DMEDLFRRyNRFRRRWRIyD 0.09
53 DMEDLFRRyNRFKRRWRIyD 0.09
54 pMEpLFRRyNRFRRRWRIyM 0.09
55 EMEyLFRIyNRFRRRWRIyM 0.09
56 EMEyLFRRyNRFRRRWRIyD 0.1
57 pMEpLFRRyNRFKRRWRIyM 0.1
58 pMEyFFRRyNRFRRRWRIyM 0.1
59 DMEDFFRIyNRFKRRWRIyM 0.1
60 DMEyLFRIyNRFRRRWRIyM 0.1
61 DMEyLFRKyNRFKRRWRIyM 0.1
62 EMEDFFRRyNRFKRRWRIyD 0.1
63 DMEyLFRKyNRFRRRWRIyM 0.1
64 EMEpLFRIyNRFKRRWRIyM 0.1
65 pMEDLFRKyNRFKRRWRIyM 0.1
66 EMEpLFRKyNRFKRRWRIyM 0.1
67 pMEyFFRRyNRFKRRWRIyM 0.1
68 EMEyLFRRyNRFKRRWRIyD 0.1
69 EMEyFFRKyNRFKRRWRIyM 0.1
70 EMEpLFRKyNRFRRRWRIyM 0.1
71 EMEyFFRKyNRFRRRWRIyM 0.1
72 pMEDLFRKyNRFRRRWRIyM 0.1
73 EMEpLFRIyNRFRRRWRIyM 0.1
74 EMEpFFRKyNRFRRRWRIyM 0.11
75 DMEDFFRRyNRFKRRWRIyD 0.11
76 EMEyFFRIyNRFRRRWRIyM 0.11
77 DMEDFFRRyNRFRRRWRIyD 0.11
78 pMEDLFRIyNRFRRRWRIyM 0.11
79 DMEyLFRIyNRFKRRWRIyM 0.11
80 EMEyFFRIyNRFKRRWRIyM 0.11
81 pMEpFFRRyNRFRRRWRIyM 0.11
82 EMEpLFRRyNRFRRRWRIyD 0.11
83 pMEDLFRIyNRFKRRWRIyM 0.11
84 DMEpLFRKyNRFRRRWRIyM 0.11
85 DMEpLFRIyNRFKRRWRIyM 0.12
86 EMEpFFRKyNRFKRRWRIyM 0.12
87 pMEDFFRKyNRFRRRWRIyM 0.12
88 DMEpLFRIyNRFRRRWRIyM 0.12
89 EMEpLFRRyNRFKRRWRIyD 0.12
90 pMEDFFRKyNRFKRRWRIyM 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EMEpLFRRyNRFKRRWRIyM

9.0

-45.63

-36.63
2 EMEDLFRRyNRFRRRWRIyM

7.77

-44.16

-36.39
3 EMEDFFRRyNRFKRRWRIyM

8.21

-43.65

-35.44
4 EMEDLFRRyNRFKRRWRIyM

8.16

-42.72

-34.56
5 DMEpLFRRyNRFRRRWRIyM

8.62

-43.11

-34.49
6 EMEDLFRKyNRFKRRWRIyM

8.07

-42.44

-34.37
7 EMEDLFRKyNRFRRRWRIyM

7.72

-41.94

-34.22
8 DMEDFFRRyNRFKRRWRIyM

7.7

-41.91

-34.21
9 EMEDLFRIyNRFRRRWRIyM

8.41

-42.39

-33.98
10 EMEyFFRRyNRFKRRWRIyM

7.84

-41.73

-33.89
11 EMEDLFRRyNRFRRRWRIyD

7.77

-41.55

-33.78
12 EMEyFFRRyNRFRRRWRIyM

7.6

-41.29

-33.69
13 DMEyLFRRyNRFKRRWRIyM

7.88

-41.13

-33.25
14 EMEDFFRRyNRFRRRWRIyM

8.43

-41.54

-33.11
15 EMEpFFRRyNRFKRRWRIyM

7.52

-40.5

-32.98
16 EMEpLFRRyNRFRRRWRIyM

8.33

-41.11

-32.78
17 DMEDLFRRyNRFRRRWRIyM

8.12

-40.56

-32.44
18 DMEDFFRRyNRFRRRWRIyM

8.62

-40.53

-31.91
19 EMEyLFRRyNRFRRRWRIyM

8.33

-40.12

-31.79
20 pMEDLFRRyNRFRRRWRIyM

7.82

-39.43

-31.61
21 DMEDLFRRyNRFKRRWRIyM

8.77

-39.9

-31.13
22 EMEpFFRRyNRFRRRWRIyM

8.74

-39.79

-31.05
23 pMEDLFRRyNRFKRRWRIyM

7.87

-38.54

-30.67
24 DMEDLFRIyNRFRRRWRIyM

8.44

-38.72

-30.28
25 DMEyLFRRyNRFRRRWRIyM

7.78

-37.72

-29.94
26 pMEDFFRRyNRFRRRWRIyM

7.84

-37.71

-29.87
27 DMEyFFRRyNRFRRRWRIyM

8.43

-38.25

-29.82
28 EMEyLFRRyNRFKRRWRIyM

9.2

-37.72

-28.52
29 EMEDLFRIyNRFKRRWRIyM

7.71

-36.09

-28.38
30 DMEDLFRKyNRFRRRWRIyM

9.26

-34.37

-25.11

 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