Predicted ligand sequences


ADAN-name: 1TH13.PDB (view again the scoring matrix)

PDB name: [1TH1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q R V Q V L P D A D p L L H F A T E S T
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
A
 A
A
 A 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 5.490 ΔGbinding -35.942
TOTAL
 -30.452
Backbone Hb -6.700 Cis_bond 0.000
Sidechain Hb -19.787 Torsional clash 1.481
Van der Waals -20.731 Backbone clash 0.789
Electrostatics -13.241 Helix dipole 0.131
Solvation Polar 32.589 Water bridges -0.794
Solvation Hyd -24.276 Disulfide 0.000
VdW clashes 0.725 Electrost. Kon -6.463
Entropy sc 12.115 Part.cov.bonds 0.000
Entropy mc

9.008

 ΔGstability

-72.931
       

Predicted ligand sequences for template [1TH13.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).
 
  1TH13.PDB  

(data)
# Predicted Sequences Value Calculate
1 QpRRWQDDsEsyINTMIMsP 0.0
2 QpRRWQDDsEsyLNTMIMsP 0.01
3 QpRRWQDDyEsyINTMIMsP 0.02
4 QpRRWQDDyEsyLNTMIMsP 0.03
5 QpRRWQDDsEsyINTyIMsP 0.03
6 QpRRWQDDsEsyLNTyIMsP 0.04
7 QpRRWQDDyEsyINTyIMsP 0.05
8 QpRRWQDDsEsyINFMIMsP 0.05
9 QpRRWQDDyEsyLNTyIMsP 0.06
10 QpRRWQDDWEsyINTMIMsP 0.06
11 QpRRWQDDsEsyLNFMIMsP 0.06
12 QpRRWQDDWEsyLNTMIMsP 0.07
13 QpRRWQDDyEsyINFMIMsP 0.07
14 QpRRWQDDsEsyINFyIMsP 0.07
15 QpRRWQDDsEsyMNTMIMsP 0.07
16 QpRRWQDDWEsyINTyIMsP 0.08
17 QpRRWQDDyEsyLNFMIMsP 0.08
18 QpRRWQDDyEsyINFyIMsP 0.09
19 QpRRWQDDyEsyMNTMIMsP 0.09
20 QpRRWQDDsEsyLNFyIMsP 0.09
21 QpRRWQDDsEsyMNTyIMsP 0.1
22 QpRRWQDDWEsyLNTyIMsP 0.1
23 QpRRWQDDWEsyINFMIMsP 0.1
24 QsRRWQDDsEsyINTMIMsP 0.1
25 QpRRWQDDsEsyINIMIMsP 0.1
26 QpRRWQDDyEsyLNFyIMsP 0.11
27 QsRRWQDDsEsyLNTMIMsP 0.11
28 QpRRWQDDyEsyINIMIMsP 0.12
29 QpRRWQDDsEsyMNFMIMsP 0.12
30 QpRRWQDDyEsyMNTyIMsP 0.12
31 QpRRWQDDsEsyLNIMIMsP 0.12
32 QpRRWQDDWEsyLNFMIMsP 0.12
33 QsRRWQDDyEsyINTMIMsP 0.12
34 QsRRWQDDsEsyINTyIMsP 0.13
35 QsRRWQDDyEsyLNTMIMsP 0.13
36 QpRRWQDDsEsyINTMIMsy 0.13
37 QpRRWQDDsEsyINIyIMsP 0.13
38 QpRRWQDDWEsyMNTMIMsP 0.13
39 QERRWQDDsEsyINTMIMsP 0.13
40 QpRRWQDDWEsyINFyIMsP 0.13
41 QpRRWQDDsEsyINTMILsP 0.14
42 QERRWQDDsEsyLNTMIMsP 0.14
43 QERRWQDDyEsyINTMIMsP 0.14
44 QpRRWQDDsEsyMNFyIMsP 0.14
45 QpRRWQDDyEsyMNFMIMsP 0.14
46 QpRRWQDDyEsyLNIMIMsP 0.14
47 QsRRWQDDsEsyLNTyIMsP 0.14
48 QpRRWQDDWEsyLNFyIMsP 0.14
49 QpRRWQDDsEsyLNIyIMsP 0.14
50 QpRRWQDDsEsyLNTMIMsy 0.14
51 QpRRWQDDyEsyINIyIMsP 0.15
52 QsRRWQDDyEsyINTyIMsP 0.15
53 QpRRWQDDWEsyMNTyIMsP 0.15
54 QpRRWQDDsEsyINTyIMsy 0.15
55 QERRWQDDsEsyINTyIMsP 0.15
56 QpRRWQDDyEsyINTMIMsy 0.15
57 QsRRWQDDsEsyINFMIMsP 0.15
58 QpRRWQDDsEsyLNTMILsP 0.15
59 QpRRWQDDyEsyMNFyIMsP 0.16
60 QERRWQDDyEsyLNTMIMsP 0.16
61 QpRRWQDDyEsyLNTMIMsy 0.16
62 QsRRWQDDyEsyLNTyIMsP 0.16
63 QpRRWQDDyEsyINTMILsP 0.16
64 QpRRWQDDWEsyINIMIMsP 0.16
65 QpRRWQDDsEsyINTyILsP 0.16
66 QsRRWQDDsEsyLNFMIMsP 0.16
67 QpRRWQDDyEsyLNIyIMsP 0.16
68 QsRRWQDDWEsyINTMIMsP 0.16
69 QERRWQDDyEsyINTyIMsP 0.17
70 QERRWQDDsEsyINFMIMsP 0.17
71 QpRRWQDDWEsyLNIMIMsP 0.17
72 QsRRWQDDyEsyINFMIMsP 0.17
73 QpRRWQDDsEsyMNIMIMsP 0.17
74 QsRRWQDDsEsyINFyIMsP 0.17
75 QpRRWQDDWEsyMNFMIMsP 0.17
76 QpRRWQDDyEsyINTyIMsy 0.17
77 QsRRWQDDWEsyLNTMIMsP 0.17
78 QpRRWQDDsEsyINFMIMsy 0.17
79 QpRRWQDDyEsyLNTMILsP 0.17
80 QERRWQDDsEsyLNTyIMsP 0.17
81 QpRRWQDDsEsyLNTyIMsy 0.17
82 QsRRWQDDsEsyMNTMIMsP 0.17
83 QpRRWQDDsEsyINFMILsP 0.18
84 QsRRWQDDWEsyINTyIMsP 0.18
85 QERRWQDDWEsyINTMIMsP 0.18
86 QsRRWQDDyEsyLNFMIMsP 0.18
87 QpRRWQDDsEsyLNTyILsP 0.18
88 QpRRWQDDyEsyINTyILsP 0.18
89 QERRWQDDyEsyINFMIMsP 0.19
90 QERRWQDDyEsyLNTyIMsP 0.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 QpRRWQDDsEsyINFyIMsP

5.4

-39.0

-33.6
2 QpRRWQDDsEsyLNFMIMsP

5.27

-38.61

-33.34
3 QpRRWQDDyEsyLNFMIMsP

5.5

-38.74

-33.24
4 QpRRWQDDsEsyINIMIMsP

5.74

-38.7

-32.96
5 QpRRWQDDsEsyLNTMIMsP

5.61

-37.8

-32.19
6 QpRRWQDDsEsyMNTMIMsP

5.28

-36.92

-31.64
7 QpRRWQDDyEsyINFMIMsP

5.41

-37.04

-31.63
8 QpRRWQDDsEsyINFMIMsP

5.13

-35.74

-30.61
9 QpRRWQDDWEsyLNTMIMsP

5.49

-35.8

-30.31
10 QpRRWQDDsEsyLNTyIMsP

5.43

-35.59

-30.16
11 QpRRWQDDsEsyLNFyIMsP

5.1

-34.96

-29.86
12 QpRRWQDDsEsyINTyIMsP

5.51

-34.97

-29.46
13 QpRRWQDDyEsyLNTMIMsP

5.34

-34.65

-29.31
14 QpRRWQDDyEsyLNFyIMsP

5.64

-34.52

-28.88
15 QpRRWQDDsEsyMNFMIMsP

5.84

-34.42

-28.58
16 QpRRWQDDyEsyMNTyIMsP

5.79

-34.1

-28.31
17 QsRRWQDDsEsyINTMIMsP

5.04

-32.92

-27.88
18 QpRRWQDDWEsyINFMIMsP

5.61

-33.27

-27.66
19 QpRRWQDDsEsyINTMIMsP

5.24

-32.87

-27.63
20 QpRRWQDDyEsyINIMIMsP

5.54

-33.11

-27.57
21 QpRRWQDDsEsyMNTyIMsP

5.95

-33.47

-27.52
22 QpRRWQDDWEsyINTyIMsP

5.34

-32.79

-27.45
23 QpRRWQDDWEsyINTMIMsP

5.4

-32.84

-27.44
24 QsRRWQDDsEsyLNTMIMsP

5.63

-32.94

-27.31
25 QpRRWQDDyEsyINTMIMsP

5.52

-32.56

-27.04
26 QpRRWQDDyEsyINFyIMsP

5.47

-31.46

-25.99
27 QpRRWQDDyEsyINTyIMsP

5.42

-31.38

-25.96
28 QpRRWQDDWEsyLNTyIMsP

5.97

-31.8

-25.83
29 QpRRWQDDyEsyMNTMIMsP

5.27

-31.08

-25.81
30 QpRRWQDDyEsyLNTyIMsP

5.98

-28.12

-22.14

 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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