Predicted ligand sequences


ADAN-name: 2JOA2.PDB (view again the scoring matrix)

PDB name: [2JOA.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D S R I W W V
position 1 2 3 4 5 6 7
poly-Ala 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 8.336 ΔGbinding -2.860
TOTAL
 5.476
Backbone Hb -5.160 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.110
Van der Waals -9.870 Backbone clash 4.790
Electrostatics 0.080 Helix dipole -0.080
Solvation Polar 14.320 Water bridges -0.680
Solvation Hyd -12.300 Disulfide 0.000
VdW clashes 1.140 Electrost. Kon 0.010
Entropy sc 4.570 Part.cov.bonds 0.000
Entropy mc

5.000

 ΔGstability

87.910
       

Predicted ligand sequences for template [2JOA2.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).
 
  2JOA2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PGGMLPV 0.0
2 PGGILPV 0.02
3 PGGVLPV 0.03
4 PGGMMPV 0.13
5 PGGVMPV 0.15
6 PGGIMPV 0.15
7 EGGMLPV 0.18
8 EGGILPV 0.2
9 EGGVLPV 0.21
10 PGGMLDV 0.26
11 PMGMLPV 0.27
12 PGGVLDV 0.28
13 PGGILDV 0.28
14 PMGILPV 0.29
15 PMGVLPV 0.29
16 EGGMMPV 0.31
17 PGGMLMV 0.31
18 PGGVLMV 0.33
19 EGGVMPV 0.33
20 PGGILMV 0.33
21 GGGMLPV 0.33
22 EGGIMPV 0.33
23 PGGMLPL 0.34
24 GGGILPV 0.35
25 PGGVLPL 0.36
26 PGGILPL 0.36
27 GGGVLPV 0.36
28 PGGMMDV 0.38
29 PMGMMPV 0.39
30 PGGIMDV 0.4
31 PGGVMDV 0.41
32 PMGIMPV 0.41
33 PMGVMPV 0.42
34 PGGMFPV 0.42
35 PGGMMMV 0.43
36 EGGMLDV 0.44
37 PGGIFPV 0.44
38 PGGVFPV 0.45
39 PGGIMMV 0.45
40 EMGMLPV 0.45
41 PGGVMMV 0.46
42 GGGMMPV 0.46
43 EGGILDV 0.46
44 EGGVLDV 0.46
45 PGGMMPL 0.46
46 EMGVLPV 0.47
47 EMGILPV 0.47
48 GGGVMPV 0.48
49 GGGIMPV 0.48
50 PGGIMPL 0.48
51 EGGMLMV 0.49
52 PGGVMPL 0.49
53 EGGVLMV 0.51
54 EGGILMV 0.51
55 EGGMLPL 0.52
56 PMGMLDV 0.52
57 PMGILDV 0.54
58 EGGILPL 0.54
59 EGGVLPL 0.54
60 PMGVLDV 0.55
61 EGGMMDV 0.56
62 EMGMMPV 0.57
63 PMGMLMV 0.57
64 GGGMLDV 0.58
65 EGGIMDV 0.58
66 PMGILMV 0.59
67 PGGMLDL 0.59
68 EMGIMPV 0.59
69 EGGVMDV 0.59
70 EGGMFPV 0.6
71 GMGMLPV 0.6
72 PMGMLPL 0.6
73 EMGVMPV 0.6
74 PMGVLMV 0.6
75 GGGVLDV 0.61
76 EGGMMMV 0.61
77 PGGILDL 0.61
78 GGGILDV 0.61
79 PGGVLDL 0.62
80 GMGVLPV 0.62
81 EGGIFPV 0.62
82 PMGILPL 0.62
83 GMGILPV 0.62
84 EGGVFPV 0.63
85 PMGVLPL 0.63
86 GGGMLMV 0.64
87 EGGIMMV 0.64
88 EGGMMPL 0.64
89 EGGVMMV 0.64
90 PGGMLML 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PGGILDV

6.64

-7.32

-0.68
2 PGGVLDV

6.68

-7.05

-0.37
3 PGGIMDV

6.93

-6.48

0.45
4 PMGVLPV

6.95

-6.26

0.69
5 PGGVLMV

7.29

-6.58

0.71
6 PGGMLDV

7.39

-6.56

0.83
7 PGGMMDV

7.29

-6.24

1.05
8 PGGVLPV

6.58

-5.52

1.06
9 EGGVLPV

6.65

-5.58

1.07
10 PGGVMPV

6.54

-5.41

1.13
11 EGGILPV

6.68

-5.47

1.21
12 PGGILMV

7.07

-5.79

1.28
13 EGGVMPV

6.57

-5.09

1.48
14 PGGILPV

6.72

-5.21

1.51
15 GGGVLPV

6.68

-5.13

1.55
16 GGGILPV

6.76

-5.11

1.65
17 PGGVLPL

6.99

-5.25

1.74
18 EGGIMPV

6.57

-4.83

1.74
19 PGGIMPV

6.91

-4.93

1.98
20 EGGMLPV

7.33

-5.32

2.01
21 GGGMLPV

7.18

-5.11

2.07
22 PMGILPV

6.96

-4.84

2.12
23 PGGMLPV

7.43

-5.08

2.35
24 PGGMMPV

7.26

-4.84

2.42
25 PGGMLMV

7.85

-5.36

2.49
26 EGGMMPV

7.27

-4.73

2.54
27 PGGMLPL

7.72

-5.09

2.63
28 PGGILPL

7.06

-4.28

2.78
29 PMGMLPV

7.07

-4.13

2.94
30 PMGMMPV

6.74

-3.47

3.27

 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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