Predicted ligand sequences


ADAN-name: 2I042.PDB (view again the scoring matrix)

PDB name: [2I04.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R E T Q V
position 1 2 3 4 5
poly-Ala
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    

(Help)

Intraclash 1.657 ΔGbinding -7.890
TOTAL
 -6.233
Backbone Hb -5.410 Cis_bond 0.000
Sidechain Hb -2.650 Torsional clash 0.090
Van der Waals -7.790 Backbone clash 1.970
Electrostatics -0.340 Helix dipole 0.140
Solvation Polar 12.330 Water bridges -0.140
Solvation Hyd -10.490 Disulfide 0.000
VdW clashes 0.200 Electrost. Kon -0.430
Entropy sc 3.420 Part.cov.bonds 0.000
Entropy mc

3.180

 ΔGstability

17.620
       

Predicted ligand sequences for template [2I042.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).
 
  2I042.PDB  

(data)
# Predicted Sequences Value Calculate
1 DMLQL 0.0
2 DMMQL 0.1
3 DMTQL 0.13
4 DMFQL 0.21
5 DMDQL 0.21
6 MMLQL 0.25
7 MMMQL 0.35
8 DMLNL 0.36
9 MMTQL 0.38
10 DILQL 0.38
11 DMLQV 0.41
12 MMFQL 0.46
13 DMMNL 0.46
14 MMDQL 0.46
15 DIMQL 0.48
16 DMTNL 0.49
17 DMMQV 0.5
18 DITQL 0.51
19 DMLSL 0.51
20 DMTQV 0.53
21 DMDNL 0.57
22 DMFNL 0.57
23 DIFQL 0.59
24 DIDQL 0.59
25 DMDQV 0.61
26 DMMSL 0.61
27 DMFQV 0.62
28 MMLNL 0.62
29 MILQL 0.63
30 DMTSL 0.64
31 MMLQV 0.66
32 MMMNL 0.71
33 DMFSL 0.72
34 DMDSL 0.72
35 MIMQL 0.73
36 MMTNL 0.74
37 DILNL 0.75
38 MITQL 0.76
39 MMMQV 0.76
40 DMLNV 0.77
41 MMLSL 0.77
42 MMTQV 0.78
43 DILQV 0.79
44 MMDNL 0.82
45 MMFNL 0.83
46 DIMNL 0.84
47 MIDQL 0.84
48 MIFQL 0.84
49 MMMSL 0.86
50 MMFQV 0.87
51 DITNL 0.87
52 DMMNV 0.87
53 MMDQV 0.87
54 MMTSL 0.89
55 DIMQV 0.89
56 DILSL 0.89
57 DMTNV 0.9
58 DITQV 0.91
59 DMLSV 0.92
60 DIDNL 0.95
61 DIFNL 0.96
62 MMFSL 0.97
63 MMDSL 0.97
64 DMDNV 0.98
65 DMFNV 0.98
66 DIMSL 0.99
67 DIFQV 1.0
68 MILNL 1.0
69 DIDQV 1.0
70 DMMSV 1.02
71 DITSL 1.02
72 MMLNV 1.02
73 MILQV 1.04
74 DMTSV 1.04
75 DIDSL 1.1
76 DIFSL 1.1
77 MIMNL 1.1
78 MMMNV 1.12
79 MITNL 1.12
80 DMFSV 1.13
81 DMDSV 1.13
82 MIMQV 1.14
83 MMTNV 1.15
84 DILNV 1.15
85 MILSL 1.15
86 MITQV 1.16
87 MMLSV 1.17
88 MIDNL 1.21
89 MIFNL 1.21
90 MMFNV 1.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DMFQV

1.43

-11.62

-10.19
2 DMDQV

1.13

-11.25

-10.12
3 DMTQL

1.28

-10.82

-9.54
4 DITQL

1.3

-10.49

-9.19
5 DMMQL

1.39

-10.54

-9.15
6 DMDQL

1.26

-10.4

-9.14
7 DMTQV

1.13

-9.99

-8.86
8 DIDQL

1.3

-10.09

-8.79
9 DMLQL

1.92

-10.68

-8.76
10 DMMQV

1.14

-9.87

-8.73
11 DMLQV

1.52

-10.16

-8.64
12 DMFQL

1.77

-10.32

-8.55
13 DMTNL

1.4

-9.9

-8.5
14 DMTSL

1.36

-9.86

-8.5
15 DIMQL

1.54

-9.92

-8.38
16 DILQL

1.95

-10.32

-8.37
17 DMDNL

1.09

-9.41

-8.32
18 DMMSL

1.3

-9.53

-8.23
19 DMLSL

1.84

-9.99

-8.15
20 DMFNL

2.17

-10.15

-7.98
21 MMTQL

1.8

-9.71

-7.91
22 DIFQL

2.08

-9.94

-7.86
23 MMDQL

1.59

-9.43

-7.84
24 DMMNL

1.31

-8.9

-7.59
25 MMMQL

1.85

-9.18

-7.33
26 MMFQL

2.42

-9.58

-7.16
27 DMLNL

2.35

-8.93

-6.58
28 MMLNL

2.61

-8.33

-5.72
29 MILQL

2.91

-8.55

-5.64
30 MMLQL

2.82

-8.42

-5.6

 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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