Predicted ligand sequences


ADAN-name: 1TH14.PDB (view again the scoring matrix)

PDB name: [1TH1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S s s L s A L s L D E P F I Q K D V E L
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 4.928 ΔGbinding -35.772
TOTAL
 -30.844
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -14.337 Torsional clash 1.871
Van der Waals -17.398 Backbone clash 0.785
Electrostatics -10.070 Helix dipole -0.068
Solvation Polar 23.222 Water bridges -0.400
Solvation Hyd -25.134 Disulfide 0.000
VdW clashes 0.189 Electrost. Kon -5.991
Entropy sc 11.002 Part.cov.bonds 0.000
Entropy mc

6.168

 ΔGstability

-80.866
       

Predicted ligand sequences for template [1TH14.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).
 
  1TH14.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDsYDsLsRyNysDsEsDEM 0.0
2 EDsYDsLsRyNysDsEsPEM 0.0
3 DDsYDsLsRyNysDsEsDEM 0.01
4 DDsYDsLsRyNysDsEsPEM 0.01
5 EDsWDsLsRyNysDsEsPEM 0.03
6 EDsWDsLsRyNysDsEsDEM 0.03
7 DDsWDsLsRyNysDsEsDEM 0.04
8 EDsYDsLsRyNysDsEspEM 0.04
9 DDsWDsLsRyNysDsEsPEM 0.04
10 EDsYDWLsRyNysDsEsPEM 0.04
11 EDsYDWLsRyNysDsEsDEM 0.04
12 EDsYDsLsRyNyEDsEsDEM 0.04
13 DDsYDsLsRyNysDsEspEM 0.04
14 DDsYDsLsRyNyEDsEsDEM 0.05
15 EDsYDsLsRyNyEDsEsPEM 0.05
16 DDsYDWLsRyNysDsEsDEM 0.05
17 DDsYDsLsRyNyEDsEsPEM 0.05
18 DDsYDWLsRyNysDsEsPEM 0.05
19 EDsWDsLsRyNysDsEspEM 0.06
20 EDsWDWLsRyNysDsEsPEM 0.07
21 EDsWDsLsRyNyEDsEsDEM 0.07
22 EDsWDsLsRyNyEDsEsPEM 0.07
23 DDsWDsLsRyNysDsEspEM 0.07
24 EDsWDWLsRyNysDsEsDEM 0.07
25 EDsYDsLsRyNEsDsEsPEM 0.08
26 EDsYDWLsRyNyEDsEsDEM 0.08
27 EDsYDsLsRyNRsDsEsPEM 0.08
28 DDsWDWLsRyNysDsEsDEM 0.08
29 EDsYDsLsRyNRsDsEsDEM 0.08
30 EDsYDsLsRyNyEDsEspEM 0.08
31 EDsYDWLsRyNysDsEspEM 0.08
32 DDsWDsLsRyNyEDsEsDEM 0.08
33 EDsYDsLsRyNEsDsEsDEM 0.08
34 DDsYDWLsRyNysDsEspEM 0.08
35 DDsWDsLsRyNyEDsEsPEM 0.08
36 DDsWDWLsRyNysDsEsPEM 0.08
37 DDsYDsLsRyNRsDsEsPEM 0.09
38 DDsYDsLsRyNRsDsEsDEM 0.09
39 DDsYDWLsRyNyEDsEsPEM 0.09
40 DDsYDsLsRyNyEDsEspEM 0.09
41 DDsYDsLsRyNEsDsEsDEM 0.09
42 EDsYDWLsRyNyEDsEsPEM 0.09
43 DDsYDsLsRyNEsDsEsPEM 0.09
44 DDsYDWLsRyNyEDsEsDEM 0.09
45 EDsYDsLsRyNyDDsEsDEM 0.1
46 EDsWDsLsRyNEsDsEsDEM 0.1
47 DDsYDsLsRyNyDDsEsDEM 0.1
48 EDPYDsLsRyNysDsEsDEM 0.1
49 EDsYDDLsRyNysDsEsPEM 0.1
50 EDsWDWLsRyNysDsEspEM 0.1
51 EDsWDsLsRyNyEDsEspEM 0.1
52 EDsYDDLsRyNysDsEsDEM 0.1
53 EDsYDsLsRyNyDDsEsPEM 0.1
54 DDsWDsLsRyNyEDsEspEM 0.11
55 EDsYDsLsRyNEsDsEspEM 0.11
56 DDsYDsLsRyNyDDsEsPEM 0.11
57 DDPYDsLsRyNysDsEsDEM 0.11
58 EDsWDWLsRyNyEDsEsPEM 0.11
59 DDsWDWLsRyNysDsEspEM 0.11
60 EDsWDWLsRyNyEDsEsDEM 0.11
61 EDsWDsLsRyNRsDsEsPEM 0.11
62 EDsWDsLsRyNEsDsEsPEM 0.11
63 DDsWDsLsRyNEsDsEsDEM 0.11
64 DDPYDsLsRyNysDsEsPEM 0.11
65 DDsYDDLsRyNysDsEsDEM 0.11
66 EDsWDsLsRyNRsDsEsDEM 0.11
67 DDsYDDLsRyNysDsEsPEM 0.11
68 EDPYDsLsRyNysDsEsPEM 0.11
69 DDsWDWLsRyNyEDsEsPEM 0.12
70 EDsYDsLsRyNREDsEsDEM 0.12
71 EDsYDWLsRyNRsDsEsPEM 0.12
72 DDsWDsLsRyNRsDsEsDEM 0.12
73 DDsYDsLsRyNEsDsEspEM 0.12
74 EDsYDsLsRyNEEDsEsDEM 0.12
75 EDsYDWLsRyNyEDsEspEM 0.12
76 EDsWDsLsRyNyDDsEsDEM 0.12
77 EDsYDWLsRyNEsDsEsPEM 0.12
78 EDsYDsLsRyNEEDsEsPEM 0.12
79 EDsYDsLsRyNRsDsEspEM 0.12
80 EDsYDWLsRyNRsDsEsDEM 0.12
81 DDsWDsLsRyNEsDsEsPEM 0.12
82 DDsWDWLsRyNyEDsEsDEM 0.12
83 DDsYDsLsRyNRsDsEspEM 0.12
84 EDsYDWLsRyNEsDsEsDEM 0.12
85 DDsWDsLsRyNRsDsEsPEM 0.12
86 EDEYDsLsRyNysDsEsDEM 0.13
87 DDsYDsLsRyNEEDsEsPEM 0.13
88 EDsWDDLsRyNysDsEsDEM 0.13
89 DDsYDWLsRyNRsDsEsDEM 0.13
90 EDsWDDLsRyNysDsEsPEM 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DDsWDWLsRyNysDsEsDEM

4.43

-38.38

-33.95
2 EDsYDsLsRyNysDsEsDEM

3.68

-37.61

-33.93
3 EDsWDsLsRyNyEDsEsDEM

3.96

-37.7

-33.74
4 DDsYDWLsRyNysDsEsDEM

4.3

-37.48

-33.18
5 EDsWDsLsRyNysDsEsPEM

4.57

-37.44

-32.87
6 EDsYDWLsRyNysDsEsDEM

4.26

-37.07

-32.81
7 EDsWDWLsRyNysDsEsDEM

3.54

-36.34

-32.8
8 EDsWDsLsRyNysDsEspEM

3.22

-35.99

-32.77
9 DDsWDsLsRyNysDsEsPEM

3.28

-35.71

-32.43
10 EDsWDsLsRyNyEDsEsPEM

3.45

-35.62

-32.17
11 EDsWDsLsRyNysDsEsDEM

3.27

-34.55

-31.28
12 EDsYDsLsRyNyEDsEsDEM

3.88

-34.99

-31.11
13 EDsYDsLsRyNEsDsEsPEM

4.09

-35.11

-31.02
14 EDsYDsLsRyNRsDsEsDEM

3.62

-34.47

-30.85
15 EDsWDWLsRyNysDsEsPEM

5.83

-36.53

-30.7
16 EDsYDsLsRyNyEDsEsPEM

3.76

-34.25

-30.49
17 DDsYDsLsRyNysDsEspEM

4.05

-34.43

-30.38
18 EDsYDsLsRyNRsDsEsPEM

4.46

-34.51

-30.05
19 DDsWDsLsRyNysDsEspEM

3.47

-33.43

-29.96
20 EDsYDWLsRyNyEDsEsDEM

3.47

-33.42

-29.95
21 DDsWDsLsRyNysDsEsDEM

3.73

-33.46

-29.73
22 EDsYDsLsRyNyEDsEspEM

3.92

-33.42

-29.5
23 EDsYDsLsRyNysDsEsPEM

4.11

-33.51

-29.4
24 DDsYDsLsRyNysDsEsDEM

3.07

-32.41

-29.34
25 DDsYDWLsRyNysDsEsPEM

4.61

-33.71

-29.1
26 DDsYDsLsRyNyEDsEsDEM

3.63

-32.6

-28.97
27 EDsYDsLsRyNysDsEspEM

5.13

-34.08

-28.95
28 DDsYDsLsRyNysDsEsPEM

3.8

-32.68

-28.88
29 EDsYDWLsRyNysDsEsPEM

4.73

-33.3

-28.57
30 DDsYDsLsRyNyEDsEsPEM

3.89

-31.79

-27.9

 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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