Predicted ligand sequences


ADAN-name: 1GBR2.PDB (view again the scoring matrix)

PDB name: [1GBR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L L P K L P P K
position 1 2 3 4 5 6 7 8
poly-Ala
A
A
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 6.824 ΔGbinding -3.750
TOTAL
 3.074
Backbone Hb -0.020 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.090
Van der Waals -2.640 Backbone clash 0.250
Electrostatics 0.000 Helix dipole 0.000
Solvation Polar 1.100 Water bridges -0.220
Solvation Hyd -4.460 Disulfide 0.000
VdW clashes 0.350 Electrost. Kon 0.010
Entropy sc 1.600 Part.cov.bonds 0.000
Entropy mc

0.450

 ΔGstability

86.680
       

Predicted ligand sequences for template [1GBR2.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).
 
  1GBR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMGVDMRH 0.0
2 FMGVDMRF 0.01
3 FMGVDMRE 0.01
4 FMGEDMRH 0.02
5 FMGVDIRH 0.02
6 FMTVDMRH 0.02
7 FMGVDHRH 0.02
8 FMGEDMRE 0.03
9 FMGEDMRF 0.03
10 FMGVDIRF 0.03
11 FMGVDIRE 0.03
12 FMTVDMRF 0.03
13 FMTVDMRE 0.03
14 FMGVDHRE 0.03
15 FMAVDMRH 0.03
16 FMGVDHRF 0.03
17 MMGVDMRH 0.04
18 FMGLDMRH 0.04
19 FMTVDHRH 0.04
20 FMAVDMRE 0.04
21 FMAVDMRF 0.04
22 FMGEDIRH 0.04
23 FMTVDIRH 0.04
24 FMGEDHRH 0.04
25 FMTEDMRH 0.04
26 FMAVDHRH 0.05
27 MMGVDMRF 0.05
28 MMGVDMRE 0.05
29 FMAEDMRH 0.05
30 FMGLDMRE 0.05
31 FMGLDMRF 0.05
32 FMTVDHRF 0.05
33 FMTVDHRE 0.05
34 FMGEDIRE 0.05
35 FMGEDIRF 0.05
36 FMTVDIRF 0.05
37 FMTVDIRE 0.05
38 FMAVDIRH 0.05
39 FMGEDHRE 0.05
40 FMGEDHRF 0.05
41 FMTEDMRE 0.05
42 FMTEDMRF 0.05
43 FMAVDHRE 0.06
44 FMAVDHRF 0.06
45 MMGVDHRH 0.06
46 FMAEDMRF 0.06
47 FMAEDMRE 0.06
48 MMGVDIRH 0.06
49 FMTLDMRH 0.06
50 FMGLDHRH 0.06
51 MMTVDMRH 0.06
52 FMTEDHRH 0.06
53 FMGVGMRH 0.06
54 MMGEDMRH 0.06
55 FMAVDIRE 0.06
56 FMAVDIRF 0.06
57 FMGLDIRH 0.06
58 FMTEDIRH 0.06
59 FMAEDIRH 0.07
60 AMGVDMRH 0.07
61 MMGVDHRF 0.07
62 MMGVDHRE 0.07
63 MMAVDMRH 0.07
64 MMGVDIRF 0.07
65 MMGVDIRE 0.07
66 FMTLDMRE 0.07
67 FMTLDMRF 0.07
68 FMGLDHRE 0.07
69 FMGLDHRF 0.07
70 MMTVDMRF 0.07
71 MMTVDMRE 0.07
72 FMTEDHRE 0.07
73 FMTEDHRF 0.07
74 FMGVGMRF 0.07
75 FMGVGMRE 0.07
76 MMGEDMRE 0.07
77 MMGEDMRF 0.07
78 FMAEDHRH 0.07
79 FMALDMRH 0.07
80 FMGLDIRE 0.07
81 FMGLDIRF 0.07
82 FMTEDIRE 0.07
83 FMTEDIRF 0.07
84 FMTLDHRH 0.08
85 FMAEDIRF 0.08
86 FMAEDIRE 0.08
87 AMGVDMRF 0.08
88 AMGVDMRE 0.08
89 MMTVDIRH 0.08
90 MMGEDHRH 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMAVDMRF

4.99

-4.77

0.22
2 FMGLDMRH

5.33

-4.95

0.38
3 FMTVDMRH

6.07

-5.31

0.76
4 FMGVDHRE

5.83

-5.0

0.83
5 FMTVDIRH

5.74

-4.89

0.85
6 FMGVDHRH

5.29

-3.25

2.04
7 FMGEDIRH

5.38

-3.19

2.19
8 FMAVDHRH

5.37

-3.08

2.29
9 FMGVDIRE

6.9

-3.54

3.36
10 FMGLDMRE

6.9

-3.52

3.38
11 FMTVDMRE

6.81

-3.42

3.39
12 FMGVDMRH

6.93

-3.53

3.4
13 FMGEDMRE

6.95

-3.52

3.43
14 FMGEDMRH

6.86

-3.39

3.47
15 FMAVDMRH

6.93

-3.45

3.48
16 FMGVDMRF

6.99

-3.5

3.49
17 FMTEDMRH

7.03

-3.53

3.5
18 MMGVDMRH

6.93

-3.39

3.54
19 FMGVDIRF

6.94

-3.38

3.56
20 FMAEDMRH

6.96

-3.38

3.58
21 FMTVDMRF

6.94

-3.33

3.61
22 FMGVDIRH

6.94

-3.3

3.64
23 FMAVDMRE

6.97

-3.25

3.72
24 FMTVDHRH

7.0

-3.2

3.8
25 FMGEDMRF

7.04

-3.19

3.85
26 FMGEDHRH

6.99

-2.73

4.26
27 FMGVDHRF

7.1

-2.79

4.31
28 MMGVDMRE

7.04

-2.68

4.36
29 MMGVDMRF

7.09

-2.4

4.69
30 FMGVDMRE

9.15

-3.52

5.63

 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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