Predicted ligand sequences


ADAN-name: 2I0L2.PDB (view again the scoring matrix)

PDB name: [2I0L.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R R E T Q V
position 1 2 3 4 5 6
poly-Ala 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 2.036 ΔGbinding -8.900
TOTAL
 -6.864
Backbone Hb -7.970 Cis_bond 0.000
Sidechain Hb -3.530 Torsional clash 0.200
Van der Waals -7.950 Backbone clash 2.150
Electrostatics -1.080 Helix dipole 0.120
Solvation Polar 15.030 Water bridges -0.650
Solvation Hyd -9.630 Disulfide 0.000
VdW clashes 0.580 Electrost. Kon -1.030
Entropy sc 3.920 Part.cov.bonds 0.000
Entropy mc

3.090

 ΔGstability

32.850
       

Predicted ligand sequences for template [2I0L2.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).
 
  2I0L2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMMMDL 0.0
2 WMMIDL 0.12
3 WMMDDL 0.19
4 WMMMDM 0.28
5 MMMMDL 0.3
6 YMMMDL 0.34
7 WMMIDM 0.4
8 WMIMDL 0.41
9 MMMIDL 0.42
10 YMMIDL 0.46
11 WMMDDM 0.46
12 MMMDDL 0.48
13 WMMMML 0.48
14 WLMMDL 0.49
15 WKMMDL 0.5
16 WMIIDL 0.53
17 YMMDDL 0.53
18 MMMMDM 0.57
19 WMIDDL 0.59
20 WMMIML 0.6
21 WLMIDL 0.61
22 YMMMDM 0.61
23 WKMIDL 0.62
24 WMMDML 0.67
25 WLMDDL 0.68
26 WKMDDL 0.68
27 WMIMDM 0.69
28 MMMIDM 0.7
29 MMIMDL 0.71
30 YMMIDM 0.74
31 YMIMDL 0.75
32 MMMDDM 0.76
33 WMMMMM 0.76
34 WKMMDM 0.77
35 WLMMDM 0.77
36 MMMMML 0.78
37 MKMMDL 0.79
38 MLMMDL 0.79
39 YMMDDM 0.8
40 WMIIDM 0.81
41 YMMMML 0.82
42 MMIIDL 0.83
43 YKMMDL 0.83
44 YLMMDL 0.83
45 YMIIDL 0.87
46 WMIDDM 0.87
47 WMMIMM 0.88
48 WMIMML 0.89
49 WLMIDM 0.89
50 MMIDDL 0.89
51 MMMIML 0.9
52 WKMIDM 0.9
53 WLIMDL 0.9
54 MLMIDL 0.91
55 WKIMDL 0.91
56 MKMIDL 0.92
57 YMIDDL 0.93
58 WMMDMM 0.94
59 YMMIML 0.94
60 WLMDDM 0.95
61 YLMIDL 0.95
62 WKMDDM 0.96
63 YKMIDL 0.96
64 MMMDML 0.96
65 WLMMML 0.97
66 WKMMML 0.97
67 MMIMDM 0.98
68 MKMDDL 0.98
69 MLMDDL 0.98
70 YMMDML 1.0
71 WMIIML 1.01
72 WLIIDL 1.02
73 YLMDDL 1.02
74 YMIMDM 1.02
75 YKMDDL 1.02
76 WKIIDL 1.03
77 MMMMMM 1.05
78 MLMMDM 1.06
79 MKMMDM 1.07
80 WMIDML 1.07
81 WLMIML 1.09
82 YMMMMM 1.09
83 WKIDDL 1.09
84 WLIDDL 1.09
85 WKMIML 1.1
86 MMIIDM 1.11
87 YKMMDM 1.11
88 YLMMDM 1.11
89 YMIIDM 1.15
90 WKMDML 1.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMMMDL

1.24

-11.75

-10.51
2 MMMMDL

1.14

-11.58

-10.44
3 WLMMDL

1.31

-11.74

-10.43
4 YMMIDL

1.42

-11.85

-10.43
5 WMMDML

1.82

-12.23

-10.41
6 WMMDDL

1.45

-11.83

-10.38
7 WKMDDL

1.31

-11.69

-10.38
8 YMMMDL

1.42

-11.78

-10.36
9 MMIMDL

1.36

-11.71

-10.35
10 WMMMML

1.47

-11.78

-10.31
11 WLMIDL

1.54

-11.71

-10.17
12 MMMDDL

1.35

-11.48

-10.13
13 YMMDDL

1.23

-11.3

-10.07
14 WMIMDL

1.43

-11.42

-9.99
15 WMMIDL

2.05

-11.91

-9.86
16 YMMMDM

1.33

-11.0

-9.67
17 MMMIDL

1.75

-11.42

-9.67
18 WMMMDM

1.43

-10.93

-9.5
19 WMIDDL

1.48

-10.93

-9.45
20 MMMMDM

1.24

-10.68

-9.44
21 WMIIDL

2.14

-11.45

-9.31
22 WLMDDL

1.38

-10.39

-9.01
23 WMMDDM

1.45

-9.83

-8.38
24 MMMIDM

1.79

-10.13

-8.34
25 WMMIDM

1.87

-10.14

-8.27
26 WMMIML

1.77

-10.01

-8.24
27 YMMIDM

1.75

-9.88

-8.13
28 WKMIDL

1.48

-9.35

-7.87
29 WMIMDM

1.62

-9.12

-7.5
30 WKMMDL

2.55

-9.71

-7.16

 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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