Predicted ligand sequences


ADAN-name: 1G3J3.PDB (view again the scoring matrix)

PDB name: [1G3J.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q L N S G G G D E L G A N D E L I R F
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
G
G
G
A
 A
A
G
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 3.757 ΔGbinding -32.080
TOTAL
 -28.323
Backbone Hb -10.000 Cis_bond 0.000
Sidechain Hb -11.737 Torsional clash 1.248
Van der Waals -21.244 Backbone clash 1.189
Electrostatics -11.214 Helix dipole 0.169
Solvation Polar 32.768 Water bridges -0.954
Solvation Hyd -25.099 Disulfide 0.000
VdW clashes 2.364 Electrost. Kon -5.103
Entropy sc 7.398 Part.cov.bonds 0.000
Entropy mc

9.326

 ΔGstability

-141.575
       

Predicted ligand sequences for template [1G3J3.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).
 
  1G3J3.PDB  

(data)
# Predicted Sequences Value Calculate
1 MyLWSECGSWRGDEEEyWNF 0.0
2 MyLWSECGSWRGDEEELWNF 0.0
3 PyLWSECGSWRGDEEELWNF 0.03
4 MyLWSECGSWRGDEEELMNF 0.03
5 MyLWSECGSWRGDEEEyMNF 0.03
6 PyLWSECGSWRGDEEEyWNF 0.04
7 MyLWSECGSWRGDEEELWRF 0.04
8 MyLWSECGSWRGDEEEyWRF 0.04
9 MyLWSECGSWRGDEEEyWNY 0.05
10 MyLWSECGSWRGDEEELWNY 0.05
11 MyLWSECGSWRGDEEELWWF 0.06
12 PyLWSECGSWRGDEEELMNF 0.06
13 PyLWSECGSWRGDEEEyMNF 0.06
14 MyLWSECGSWRGDEEEyWWF 0.06
15 MyLWSECGSWRGDEEELMRF 0.06
16 MyLWSECGSWRGDEEEyMRF 0.07
17 MyLWSECGSWRGDEEELMNY 0.07
18 PyLWSECGSWRGDEEEyWRF 0.07
19 PyLWSECGSWRGDEEELWRF 0.07
20 MyMWSECGSWRGDEEELWNF 0.07
21 MyLWSECGSWDGDEEELWNF 0.08
22 PyLWSECGSWRGDEEELWNY 0.08
23 MyLWSECGSWRGDEEELWRY 0.08
24 MyLWSECGSWRGDEEEyMNY 0.08
25 MyMWSECGSWRGDEEEyWNF 0.08
26 MyLWSECGSWRGDEEEyMWF 0.08
27 MyLWSECGSWRGDEEELMWF 0.08
28 PyLWSECGSWRGDEEEyWNY 0.09
29 PyLWSECGSWRGDEEELWWF 0.09
30 PyLWSECGSWRGDEEEyWWF 0.09
31 MyLWSECGSWDGDEEEyWNF 0.09
32 MyLWSECGSWRGDEEEyWRY 0.09
33 MyLWSESGSWRGDEEEyWNF 0.1
34 MyLWSECGSWRGDEEELWWY 0.1
35 MyMWSECGSWRGDEEELMNF 0.1
36 PyLWSECGSWRGDEEEyMRF 0.1
37 PyLWSECGSWRGDEEELMRF 0.1
38 MyLWSESGSWRGDEEELWNF 0.1
39 MyLWSECGSWRGDEEEyMRY 0.11
40 MyLWSECGSWDGDEEEyMNF 0.11
41 MyMWSECGSWRGDEEEyWRF 0.11
42 PyMWSECGSWRGDEEEyWNF 0.11
43 MyLWSECGSWDGDEEELMNF 0.11
44 PyLWSECGSWRGDEEELMNY 0.11
45 MyMWSECGSWRGDEEELWRF 0.11
46 MyMWSECGSWRGDEEEyMNF 0.11
47 PyMWSECGSWRGDEEELWNF 0.11
48 PyLWSECGSWRGDEEELMWF 0.11
49 PyLWSECGSWRGDEEEyMNY 0.11
50 MyLWSECGSWRGDEEEyWWY 0.11
51 MyLWSECGSWRGDEEELMRY 0.11
52 MyLWSECGSyRGDEEELWNF 0.12
53 MyMWSECGSWRGDEEELWNY 0.12
54 PyLWSECGSWRGDEEEyMWF 0.12
55 PyLWSECGSWRGDEEEyWRY 0.12
56 PyLWSECGSWDGDEEEyWNF 0.12
57 PyLWSECGSWRGDEEELWRY 0.12
58 MyLWSECGSWDGDEEELWRF 0.12
59 MyLWSECGSWDGDEEEyWRF 0.12
60 MyLWSESGSWRGDEEELMNF 0.12
61 PyLWSECGSWDGDEEELWNF 0.12
62 MyLWSECGSyRGDEEEyWNF 0.13
63 MyLWSECGSWDGDEEELWNY 0.13
64 MyLWSESGSWRGDEEEyMNF 0.13
65 PyLWSESGSWRGDEEEyWNF 0.13
66 PyLWSESGSWRGDEEELWNF 0.13
67 MyMWSECGSWRGDEEELWWF 0.13
68 MyMWSECGSWRGDEEEyWWF 0.13
69 MyLWSECGSWRGDEEEyWNW 0.13
70 MyLWSESGSWRGDEEELWRF 0.13
71 MyLWSECGSWRGDEEELWNW 0.13
72 MyMWSECGSWRGDEEEyWNY 0.13
73 MyLWSECGSWRGDEEEyMWY 0.13
74 MyLWSECGSWRGDEEELMWY 0.13
75 PyLWSECGSWDGDEEELMNF 0.14
76 MyMWSECGSWRGDEEEyMRF 0.14
77 MyLWSECGSWDGDEEEyWNY 0.14
78 PyMWSECGSWRGDEEELWRF 0.14
79 PyMWSECGSWRGDEEELMNF 0.14
80 PyLWSECGSWRGDEEELWWY 0.14
81 MyLWSESGSWRGDEEEyWRF 0.14
82 MyMWSECGSWRGDEEELMRF 0.14
83 MyLWSECGSWDGDEEEyWWF 0.14
84 PyMWSECGSWRGDEEEyMNF 0.14
85 PyLWSECGSWRGDEEEyWWY 0.14
86 PyLWSECGSWRGDEEELMRY 0.14
87 MyLWSECGSWDGDEEELWWF 0.14
88 KyLWSECGSWRGDEEELWNF 0.14
89 MyLWSESGSWRGDEEELWNY 0.14
90 MyLWSESGSWRGDEEEyWNY 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PyLWSECGSWRGDEEELMNF

8.92

-43.97

-35.05
2 PyLWSECGSWRGDEEEyMNF

8.82

-43.34

-34.52
3 MyLWSECGSWRGDEEELMWF

9.46

-43.46

-34.0
4 MyLWSECGSWRGDEEEyWNF

9.49

-43.15

-33.66
5 MyLWSECGSWRGDEEEyMWF

9.37

-42.36

-32.99
6 MyLWSECGSWRGDEEELWRF

11.09

-44.08

-32.99
7 MyLWSECGSWRGDEEEyMRF

9.86

-42.05

-32.19
8 MyLWSECGSWRGDEEELMRF

9.47

-41.61

-32.14
9 MyLWSECGSWRGDEEELMNY

11.01

-41.55

-30.54
10 MyLWSECGSWDGDEEELWNF

11.19

-41.38

-30.19
11 MyLWSECGSWRGDEEEyMNY

10.42

-40.51

-30.09
12 MyMWSECGSWRGDEEELWNF

12.67

-42.17

-29.5
13 MyLWSECGSWRGDEEEyWWF

12.49

-41.25

-28.76
14 MyLWSECGSWRGDEEELMNF

10.16

-38.77

-28.61
15 MyLWSECGSWRGDEEEyMNF

9.6

-37.59

-27.99
16 MyLWSECGSWRGDEEELWRY

10.91

-37.46

-26.55
17 MyLWSECGSWRGDEEELWNF

12.17

-36.76

-24.59
18 PyLWSECGSWRGDEEELWWF

15.86

-39.59

-23.73
19 PyLWSECGSWRGDEEEyWNY

13.09

-36.0

-22.91
20 MyLWSECGSWRGDEEEyWNY

13.46

-35.17

-21.71
21 PyLWSECGSWRGDEEEyWRF

15.21

-31.66

-16.45
22 MyLWSECGSWRGDEEELWWF

21.06

-32.56

-11.5
23 MyLWSECGSWRGDEEELWNY

16.97

-27.25

-10.28
24 PyLWSECGSWRGDEEEyWNF

9.8

-19.48

-9.68
25 MyMWSECGSWRGDEEEyWNF

11.04

-17.65

-6.61
26 PyLWSECGSWRGDEEEyWWF

13.98

-20.13

-6.15
27 PyLWSECGSWRGDEEELWNF

14.8

-19.88

-5.08
28 MyLWSECGSWRGDEEEyWRF

12.29

-1.26

11.03
29 PyLWSECGSWRGDEEELWNY

10.81

7.68

18.49
30 PyLWSECGSWRGDEEELWRF

12.62

6.89

19.51

 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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