Predicted ligand sequences


ADAN-name: 1L3R2.PDB (view again the scoring matrix)

PDB name: [1L3R.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 A S 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 7.016 ΔGbinding -38.020
TOTAL
 -31.004
Backbone Hb -8.475 Cis_bond 0.000
Sidechain Hb -18.050 Torsional clash 1.528
Van der Waals -20.470 Backbone clash 0.606
Electrostatics -13.142 Helix dipole 0.030
Solvation Polar 32.002 Water bridges -0.971
Solvation Hyd -23.879 Disulfide 0.000
VdW clashes 1.444 Electrost. Kon -5.178
Entropy sc 9.504 Part.cov.bonds 0.000
Entropy mc

7.637

 ΔGstability

-51.731
       

Predicted ligand sequences for template [1L3R2.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).
 
  1L3R2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DTWsLMWIyRRMYKRRRIHF 0.0
2 yTWpLMWIyRRMYKRRRIHF 0.0
3 DTWpLMWIyRRMYKRRRIHF 0.0
4 yTWsLMWIyRRMYKRRRIHF 0.0
5 yTWsLMWVyRRMYKRRRIHF 0.01
6 ETWpLMWIyRRMYKRRRIHF 0.01
7 yTWpLMWVyRRMYKRRRIHF 0.01
8 ETWsLMWIyRRMYKRRRIHF 0.01
9 DTWsLMWVyRRMYKRRRIHF 0.01
10 DTWpLMWVyRRMYKRRRIHF 0.01
11 ETWsLMWVyRRMYKRRRIHF 0.02
12 ETWpLMWVyRRMYKRRRIHF 0.02
13 DTWsLMWIyRRMYKRRRMHF 0.02
14 DTWpLMWyyRRMYKRRRIHF 0.02
15 DTWsLMWyyRRMYKRRRIHF 0.02
16 yTWsLMWyyRRMYKRRRIHF 0.02
17 yTWsLMWIyRRMYKRRRMHF 0.02
18 DTWpLMWIyRRMYKRRRMHF 0.02
19 yTWpLMWyyRRMYKRRRIHF 0.02
20 yTWpLMWIyRRMYKRRRMHF 0.02
21 DTWpLMWVyRRMYKRRRMHF 0.03
22 ETWsLMWyyRRMYKRRRIHF 0.03
23 DTWsLMWVyRRMYKRRRMHF 0.03
24 DTYsLMWIyRRMYKRRRIHF 0.03
25 ETWpLMWIyRRMYKRRRMHF 0.03
26 ETWpLMWyyRRMYKRRRIHF 0.03
27 yTWpLMWVyRRMYKRRRMHF 0.03
28 DTWDLMWIyRRMYKRRRIHF 0.03
29 ETWsLMWIyRRMYKRRRMHF 0.03
30 DTYpLMWIyRRMYKRRRIHF 0.03
31 yTYpLMWIyRRMYKRRRIHF 0.03
32 yTWsLMWVyRRMYKRRRMHF 0.03
33 yTYsLMWIyRRMYKRRRIHF 0.03
34 yTWDLMWIyRRMYKRRRIHF 0.03
35 DTYsLMWVyRRMYKRRRIHF 0.04
36 yTYpLMWVyRRMYKRRRIHF 0.04
37 DTYpLMWVyRRMYKRRRIHF 0.04
38 DTWDLMWVyRRMYKRRRIHF 0.04
39 ETWDLMWIyRRMYKRRRIHF 0.04
40 DTWpMMWIyRRMYKRRRIHF 0.04
41 yTWsLMWyyRRMYKRRRMHF 0.04
42 yTWDLMWVyRRMYKRRRIHF 0.04
43 ETYpLMWIyRRMYKRRRIHF 0.04
44 DTWsLMWyyRRMYKRRRMHF 0.04
45 yTWsMMWIyRRMYKRRRIHF 0.04
46 yTWpMMWVyRRMYKRRRIHF 0.04
47 ETYsLMWIyRRMYKRRRIHF 0.04
48 ETWpLMWVyRRMYKRRRMHF 0.04
49 DTWpLMWyyRRMYKRRRMHF 0.04
50 yTYsLMWVyRRMYKRRRIHF 0.04
51 yTWpMMWIyRRMYKRRRIHF 0.04
52 DTWsMMWIyRRMYKRRRIHF 0.04
53 ETWsLMWVyRRMYKRRRMHF 0.04
54 yTWpLMWyyRRMYKRRRMHF 0.04
55 yTYsLMWIyRRMYKRRRMHF 0.05
56 DTWsMMWVyRRMYKRRRIHF 0.05
57 DTYsLMWyyRRMYKRRRIHF 0.05
58 yTYpLMWIyRRMYKRRRMHF 0.05
59 ETWDLMWVyRRMYKRRRIHF 0.05
60 ETWpMMWIyRRMYKRRRIHF 0.05
61 ETYsLMWVyRRMYKRRRIHF 0.05
62 DTWpMMWVyRRMYKRRRIHF 0.05
63 ETYpLMWVyRRMYKRRRIHF 0.05
64 yTWDLMWyyRRMYKRRRIHF 0.05
65 DTYpLMWIyRRMYKRRRMHF 0.05
66 yTYpLMWyyRRMYKRRRIHF 0.05
67 ETWsMMWIyRRMYKRRRIHF 0.05
68 DTWDLMWIyRRMYKRRRMHF 0.05
69 DTYsLMWIyRRMYKRRRMHF 0.05
70 yTWsMMWVyRRMYKRRRIHF 0.05
71 DTWDLMWyyRRMYKRRRIHF 0.05
72 ETWsLMWyyRRMYKRRRMHF 0.05
73 ETWpLMWyyRRMYKRRRMHF 0.05
74 yTYsLMWyyRRMYKRRRIHF 0.05
75 yTWDLMWIyRRMYKRRRMHF 0.05
76 DTYpLMWyyRRMYKRRRIHF 0.05
77 ETYpLMWIyRRMYKRRRMHF 0.06
78 DTWDLMWVyRRMYKRRRMHF 0.06
79 DTWsMMWIyRRMYKRRRMHF 0.06
80 yTYsLMWVyRRMYKRRRMHF 0.06
81 yTWsMMWVyRRMYKRRRMHF 0.06
82 ETYsLMWyyRRMYKRRRIHF 0.06
83 DTWpMMWIyRRMYKRRRMHF 0.06
84 DTWsMMWyyRRMYKRRRIHF 0.06
85 ETWDLMWyyRRMYKRRRIHF 0.06
86 yTWpMMWIyRRMYKRRRMHF 0.06
87 ETYpLMWyyRRMYKRRRIHF 0.06
88 yTYpLMWVyRRMYKRRRMHF 0.06
89 ETWsMMWVyRRMYKRRRIHF 0.06
90 ETYsLMWIyRRMYKRRRMHF 0.06
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yTWpLMWVyRRMYKRRRIHF

7.44

-43.32

-35.88
2 ETWpLMWVyRRMYKRRRIHF

7.88

-40.23

-32.35
3 ETWpLMWIyRRMYKRRRIHF

7.49

-38.76

-31.27
4 DTWsLMWVyRRMYKRRRMHF

9.31

-40.14

-30.83
5 yTWpLMWIyRRMYKRRRMHF

8.39

-38.76

-30.37
6 ETWsLMWVyRRMYKRRRIHF

9.86

-40.19

-30.33
7 yTWpLMWIyRRMYKRRRIHF

7.19

-36.85

-29.66
8 yTWsLMWVyRRMYKRRRIHF

7.32

-36.74

-29.42
9 yTWsLMWIyRRMYKRRRMHF

9.44

-38.78

-29.34
10 DTWDLMWIyRRMYKRRRIHF

8.91

-38.24

-29.33
11 ETWsLMWIyRRMYKRRRIHF

7.69

-36.5

-28.81
12 ETWpLMWyyRRMYKRRRIHF

7.22

-35.8

-28.58
13 DTWsLMWIyRRMYKRRRIHF

7.07

-35.2

-28.13
14 DTWsLMWyyRRMYKRRRIHF

7.45

-35.32

-27.87
15 DTWsLMWIyRRMYKRRRMHF

7.22

-34.99

-27.77
16 yTWpLMWyyRRMYKRRRIHF

7.8

-35.4

-27.6
17 DTYsLMWIyRRMYKRRRIHF

7.12

-34.47

-27.35
18 ETWsLMWIyRRMYKRRRMHF

7.68

-34.66

-26.98
19 yTWsLMWyyRRMYKRRRIHF

8.32

-35.28

-26.96
20 DTWpLMWVyRRMYKRRRIHF

8.24

-34.62

-26.38
21 DTWpLMWVyRRMYKRRRMHF

7.19

-33.35

-26.16
22 ETWsLMWyyRRMYKRRRIHF

9.42

-35.26

-25.84
23 DTWpLMWyyRRMYKRRRIHF

9.6

-35.4

-25.8
24 DTWpLMWIyRRMYKRRRIHF

8.8

-34.59

-25.79
25 ETWpLMWIyRRMYKRRRMHF

6.87

-32.04

-25.17
26 DTWsLMWVyRRMYKRRRIHF

9.58

-34.71

-25.13
27 yTWpLMWVyRRMYKRRRMHF

7.27

-32.34

-25.07
28 DTYpLMWIyRRMYKRRRIHF

9.14

-33.91

-24.77
29 DTWpLMWIyRRMYKRRRMHF

9.06

-33.37

-24.31
30 yTWsLMWIyRRMYKRRRIHF

8.98

-32.84

-23.86

 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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