Predicted ligand sequences


ADAN-name: 1P222.PDB (view again the scoring matrix)

PDB name: [1P22.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Y L D s G I H s G A T
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A A
A
A
G
A
A
 A
G
 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 11.769 ΔGbinding -9.098
TOTAL
 2.671
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -10.825 Torsional clash 2.443
Van der Waals -9.472 Backbone clash 1.469
Electrostatics -2.957 Helix dipole 0.000
Solvation Polar 16.217 Water bridges -0.275
Solvation Hyd -10.605 Disulfide 0.000
VdW clashes 3.928 Electrost. Kon -2.269
Entropy sc 4.837 Part.cov.bonds 0.000
Entropy mc

2.929

 ΔGstability

219.273
       

Predicted ligand sequences for template [1P222.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).
 
  1P222.PDB  

(data)
# Predicted Sequences Value Calculate
1 DsGDGFyHGyy 0.0
2 DsGDGFysGyy 0.02
3 DsGDGFyGGyy 0.03
4 DGGDGFyHGyy 0.03
5 DGGDGFysGyy 0.05
6 DGGDGFyGGyy 0.06
7 DsGDGFyHGEy 0.17
8 DsGDGFysGEy 0.2
9 DsGDGFyGGEy 0.2
10 DGGDGFyHGEy 0.2
11 DsGDGFyHGDy 0.21
12 DGGDGFysGEy 0.22
13 DGGDGFyGGEy 0.23
14 DsGDGFysGDy 0.23
15 DGGDGFyHGDy 0.23
16 DsGDGFyGGDy 0.24
17 DsGDGFyHGyD 0.25
18 DGGDGFysGDy 0.26
19 DsGDGFysGyD 0.27
20 DGGDGFyGGDy 0.27
21 DsGDGFyGGyD 0.28
22 DGGDGFyHGyD 0.28
23 DGGDGFysGyD 0.3
24 DGGDGFyGGyD 0.31
25 EsGDGFyHGyy 0.36
26 DSGDGFyHGyy 0.39
27 EGGDGFyHGyy 0.39
28 EsGDGFysGyy 0.39
29 EsGDGFyGGyy 0.4
30 EGGDGFysGyy 0.41
31 EGGDGFyGGyy 0.42
32 DsGDGFyHGED 0.42
33 DSGDGFysGyy 0.42
34 DSGDGFyGGyy 0.43
35 DsGDGFysGED 0.44
36 PsGDGFyHGyy 0.45
37 DsGDGFyGGED 0.45
38 DGGDGFyHGED 0.45
39 DsGDGFyHGDD 0.46
40 DsGDGFDHGyy 0.47
41 DGGDGFysGED 0.47
42 DsGsGFyHGyy 0.47
43 PGGDGFyHGyy 0.47
44 PsGDGFysGyy 0.47
45 DGGDGFyGGED 0.48
46 PsGDGFyGGyy 0.48
47 DsGDGFysGDD 0.48
48 DGGDGFyHGDD 0.48
49 DsGDGFyGGDD 0.49
50 DsGsGFysGyy 0.49
51 DGGDGFDHGyy 0.5
52 PGGDGFyGGyy 0.5
53 DsGDGFDsGyy 0.5
54 PGGDGFysGyy 0.5
55 DGGsGFyHGyy 0.5
56 DsGsGFyGGyy 0.5
57 DsGDGFyHGyE 0.5
58 DGGDGFysGDD 0.51
59 DsGDGFDGGyy 0.51
60 DsGDGFysGyE 0.52
61 DGGDGFyGGDD 0.52
62 DGGDGFDsGyy 0.52
63 DGGsGFysGyy 0.52
64 DGGDGFDGGyy 0.53
65 DGGsGFyGGyy 0.53
66 DsGDGFyGGyE 0.53
67 EsGDGFyHGEy 0.53
68 DGGDGFyHGyE 0.53
69 DGGDGFysGyE 0.55
70 EsGDGFysGEy 0.56
71 EGGDGFyHGEy 0.56
72 DSGDGFyHGEy 0.56
73 DGGDGFyGGyE 0.56
74 EsGDGFyHGDy 0.57
75 EsGDGFyGGEy 0.57
76 EGGDGFysGEy 0.58
77 EGGDGFyHGDy 0.59
78 DSGDGFysGEy 0.59
79 EsGDGFysGDy 0.59
80 EGGDGFyGGEy 0.59
81 EsGDGFyGGDy 0.6
82 DSGDGFyHGDy 0.6
83 DSGDGFyGGEy 0.6
84 EsGDGFyHGyD 0.61
85 PsGDGFyHGEy 0.62
86 EGGDGFysGDy 0.62
87 DSGDGFysGDy 0.62
88 DSGDGFyGGDy 0.63
89 EGGDGFyGGDy 0.63
90 DSGDGFyHGyD 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DsGDGFysGyD

7.81

-18.63

-10.82
2 DGGDGFysGyy

7.98

-18.13

-10.15
3 EsGDGFysGyy

9.36

-19.24

-9.88
4 DsGDGFysGyy

9.64

-18.31

-8.67
5 EGGDGFysGyy

9.53

-18.14

-8.61
6 DsGDGFyHGyD

8.04

-16.6

-8.56
7 DGGDGFysGEy

7.87

-15.93

-8.06
8 EGGDGFyHGyy

7.25

-15.22

-7.97
9 DGGDGFysGyD

9.23

-17.04

-7.81
10 DsGDGFyGGyy

8.51

-16.23

-7.72
11 DGGDGFyHGEy

7.7

-15.36

-7.66
12 EsGDGFyGGyy

8.32

-15.7

-7.38
13 DsGDGFyHGyy

8.1

-15.43

-7.33
14 EsGDGFyHGyy

8.94

-16.15

-7.21
15 DGGDGFysGDy

8.89

-16.07

-7.18
16 DsGDGFyGGyD

8.93

-15.46

-6.53
17 DGGDGFyGGyD

8.77

-15.27

-6.5
18 DGGDGFyHGyy

8.87

-15.35

-6.48
19 DGGDGFyGGDy

7.18

-13.63

-6.45
20 DsGDGFyGGDy

8.59

-14.99

-6.4
21 DGGDGFyGGyy

7.79

-14.14

-6.35
22 DGGDGFyHGyD

8.92

-15.09

-6.17
23 DsGDGFyHGEy

7.47

-13.44

-5.97
24 DsGDGFyGGEy

7.99

-13.74

-5.75
25 DsGDGFysGEy

8.93

-14.67

-5.74
26 DsGDGFyHGDy

9.11

-14.47

-5.36
27 DSGDGFyHGyy

7.9

-12.56

-4.66
28 DGGDGFyGGEy

9.46

-13.49

-4.03
29 DsGDGFysGDy

9.62

-13.15

-3.53
30 DGGDGFyHGDy

9.51

-12.81

-3.3

 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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