Predicted ligand sequences


ADAN-name: 2OPG2.PDB (view again the scoring matrix)

PDB name: [2OPG.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Y K S T R L
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    

(Help)

Intraclash 3.440 ΔGbinding -10.630
TOTAL
 -7.190
Backbone Hb -8.810 Cis_bond 0.000
Sidechain Hb -2.110 Torsional clash 0.250
Van der Waals -8.730 Backbone clash 0.890
Electrostatics -2.090 Helix dipole 0.200
Solvation Polar 14.760 Water bridges -0.550
Solvation Hyd -11.100 Disulfide 0.000
VdW clashes 0.290 Electrost. Kon -0.950
Entropy sc 4.390 Part.cov.bonds 0.000
Entropy mc

3.820

 ΔGstability

17.890
       

Predicted ligand sequences for template [2OPG2.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).
 
  2OPG2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWLMFF 0.0
2 WMLMFF 0.02
3 WWMMFF 0.07
4 WMMMFF 0.09
5 WRLMFF 0.12
6 WRMMFF 0.19
7 WWLTFF 0.22
8 WWLMMF 0.23
9 WMLTFF 0.23
10 WMLMMF 0.25
11 WWMTFF 0.29
12 WMMTFF 0.3
13 WWMMMF 0.3
14 WMMMMF 0.32
15 FWLMFF 0.34
16 WRLTFF 0.34
17 WRLMMF 0.35
18 FMLMFF 0.36
19 WWLEFF 0.36
20 WMLEFF 0.38
21 WRMTFF 0.41
22 MWLMFF 0.41
23 FWMMFF 0.41
24 WRMMMF 0.42
25 MMLMFF 0.42
26 WWMEFF 0.43
27 FMMMFF 0.43
28 WMMEFF 0.45
29 WWLTMF 0.45
30 FRLMFF 0.46
31 WMLTMF 0.47
32 MWMMFF 0.48
33 WRLEFF 0.48
34 MMMMFF 0.49
35 WWIMFF 0.5
36 WMIMFF 0.51
37 WWMTMF 0.52
38 MRLMFF 0.53
39 FRMMFF 0.53
40 WMMTMF 0.54
41 WRMEFF 0.55
42 FWLTFF 0.56
43 WRLTMF 0.57
44 FMLTFF 0.58
45 FWLMMF 0.58
46 MRMMFF 0.59
47 WWLEMF 0.59
48 FMLMMF 0.59
49 WMLEMF 0.61
50 WRIMFF 0.61
51 MWLTFF 0.62
52 FWMTFF 0.63
53 MWLMMF 0.64
54 MMLTFF 0.64
55 WRMTMF 0.64
56 FWMMMF 0.65
57 FMMTFF 0.65
58 MMLMMF 0.66
59 FMMMMF 0.66
60 WWMEMF 0.66
61 FRLTFF 0.68
62 WMMEMF 0.68
63 MWMTFF 0.69
64 FRLMMF 0.7
65 MMMTFF 0.71
66 WRLEMF 0.71
67 WWITFF 0.71
68 MWMMMF 0.71
69 FWLEFF 0.71
70 MMMMMF 0.72
71 FMLEFF 0.72
72 WWIMMF 0.73
73 WMITFF 0.73
74 MRLTFF 0.74
75 WMIMMF 0.74
76 FRMTFF 0.75
77 MRLMMF 0.76
78 MWLEFF 0.77
79 FRMMMF 0.77
80 FWMEFF 0.77
81 MMLEFF 0.78
82 WRMEMF 0.78
83 FMMEFF 0.79
84 FWLTMF 0.79
85 FMLTMF 0.81
86 MRMTFF 0.81
87 FRLEFF 0.82
88 WRITFF 0.83
89 MRMMMF 0.83
90 FWIMFF 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WMMMMF

2.77

-17.45

-14.68
2 WMLMFF

3.99

-17.85

-13.86
3 MWLMFF

2.68

-16.06

-13.38
4 FWLMFF

3.44

-16.81

-13.37
5 WRLMMF

4.33

-17.6

-13.27
6 WWLTMF

2.4

-15.64

-13.24
7 FMLMFF

3.66

-16.86

-13.2
8 WRLTFF

2.66

-15.76

-13.1
9 WWMMMF

3.73

-16.75

-13.02
10 MMLMFF

3.73

-16.73

-13.0
11 WMMEFF

3.85

-16.82

-12.97
12 WWLMMF

3.93

-16.68

-12.75
13 WRMMFF

3.87

-16.47

-12.6
14 FRLMFF

3.13

-15.24

-12.11
15 WRMTFF

4.13

-16.16

-12.03
16 WWLEFF

4.46

-15.96

-11.5
17 WWLTFF

3.23

-14.15

-10.92
18 WMLEFF

3.97

-14.8

-10.83
19 WWMMFF

4.22

-14.8

-10.58
20 WWMTFF

4.34

-14.8

-10.46
21 WRMMMF

2.67

-12.94

-10.27
22 WMMMFF

3.03

-13.27

-10.24
23 WMMTFF

3.33

-13.4

-10.07
24 WWLMFF

2.89

-12.84

-9.95
25 WRLMFF

3.33

-13.23

-9.9
26 WMLTFF

3.55

-12.86

-9.31
27 FWMMFF

3.02

-11.65

-8.63
28 WWMEFF

2.8

-11.02

-8.22
29 WMLMMF

4.52

-12.37

-7.85
30 FMMMFF

4.45

-12.03

-7.58

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER