Predicted ligand sequences


ADAN-name: 2G2L2.PDB (view again the scoring matrix)

PDB name: [2G2L.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A T G L
position 1 2 3 4
poly-Ala
A
 A
G
 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 2.196 ΔGbinding -8.520
TOTAL
 -6.324
Backbone Hb -8.440 Cis_bond 0.000
Sidechain Hb -1.720 Torsional clash 0.010
Van der Waals -6.360 Backbone clash 1.700
Electrostatics -0.400 Helix dipole 0.000
Solvation Polar 12.030 Water bridges -0.390
Solvation Hyd -8.230 Disulfide 0.000
VdW clashes 0.500 Electrost. Kon -0.260
Entropy sc 2.140 Part.cov.bonds 0.000
Entropy mc

2.590

 ΔGstability

14.580
       

Predicted ligand sequences for template [2G2L2.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).
 
  2G2L2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PLML 0.0
2 ELML 0.37
3 QLML 0.38
4 PLMI 0.42
5 PTML 0.43
6 PIML 0.47
7 MLML 0.53
8 PNML 0.56
9 DLML 0.58
10 PVML 0.73
11 PLMV 0.74
12 ELMI 0.79
13 ETML 0.8
14 QLMI 0.8
15 QTML 0.81
16 EIML 0.83
17 PTMI 0.85
18 QIML 0.85
19 PIMI 0.89
20 ENML 0.93
21 QNML 0.94
22 MLMI 0.95
23 MTML 0.96
24 PNMI 0.98
25 DLMI 1.0
26 MIML 1.0
27 DTML 1.01
28 PLFL 1.04
29 DIML 1.04
30 MNML 1.09
31 EVML 1.1
32 QVML 1.11
33 ELMV 1.11
34 QLMV 1.12
35 DNML 1.14
36 PVMI 1.15
37 PTMV 1.17
38 PIMV 1.21
39 ETMI 1.23
40 QTMI 1.24
41 EIMI 1.26
42 MVML 1.26
43 MLMV 1.27
44 QIMI 1.27
45 PNMV 1.3
46 DVML 1.31
47 DLMV 1.32
48 ENMI 1.35
49 QNMI 1.36
50 MTMI 1.39
51 ELFL 1.41
52 QLFL 1.42
53 MIMI 1.42
54 DTMI 1.44
55 PLFI 1.46
56 PTFL 1.47
57 PVMV 1.47
58 DIMI 1.47
59 PIFL 1.5
60 MNMI 1.51
61 EVMI 1.52
62 ETMV 1.54
63 QVMI 1.54
64 QTMV 1.55
65 DNMI 1.56
66 MLFL 1.57
67 EIMV 1.58
68 QIMV 1.59
69 PNFL 1.6
70 DLFL 1.62
71 ENMV 1.67
72 QNMV 1.68
73 MVMI 1.69
74 MTMV 1.71
75 DVMI 1.73
76 MIMV 1.74
77 DTMV 1.75
78 PVFL 1.77
79 PLFV 1.78
80 DIMV 1.79
81 ELFI 1.83
82 MNMV 1.83
83 QLFI 1.84
84 EVMV 1.84
85 ETFL 1.84
86 QTFL 1.85
87 QVMV 1.85
88 EIFL 1.87
89 QIFL 1.88
90 DNMV 1.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PIML

1.85

-12.61

-10.76
2 PIMI

1.89

-12.51

-10.62
3 PTMI

2.09

-12.08

-9.99
4 PTML

2.07

-12.06

-9.99
5 PLML

1.97

-11.81

-9.84
6 MIML

1.82

-11.61

-9.79
7 PNMI

2.08

-11.77

-9.69
8 PNML

1.84

-11.47

-9.63
9 PLMI

1.84

-11.39

-9.55
10 QTML

2.17

-11.72

-9.55
11 ETML

2.24

-11.73

-9.49
12 DTML

2.06

-11.55

-9.49
13 MLML

2.12

-11.58

-9.46
14 QLMI

1.89

-11.3

-9.41
15 QNML

2.22

-11.58

-9.36
16 MTML

2.17

-11.51

-9.34
17 DIML

1.84

-11.13

-9.29
18 EIML

2.53

-11.72

-9.19
19 PLMV

1.84

-10.99

-9.15
20 ELMI

2.05

-11.1

-9.05
21 MLMI

1.82

-10.76

-8.94
22 MNML

1.99

-10.88

-8.89
23 ENML

2.29

-11.14

-8.85
24 PVML

2.01

-10.71

-8.7
25 ELML

2.21

-10.72

-8.51
26 DLML

2.28

-10.56

-8.28
27 QLML

2.32

-10.59

-8.27
28 DLMI

2.23

-10.45

-8.22
29 PLFL

2.39

-10.21

-7.82
30 QIML

1.96

-9.71

-7.75

 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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