Predicted ligand sequences


ADAN-name: 3GBQ2.PDB (view again the scoring matrix)

PDB name: [3GBQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V P P P V P P R R R
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A 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 4.388 ΔGbinding -13.710
TOTAL
 -9.322
Backbone Hb -1.140 Cis_bond 0.000
Sidechain Hb -1.810 Torsional clash 0.180
Van der Waals -8.360 Backbone clash 0.520
Electrostatics -2.720 Helix dipole 0.000
Solvation Polar 8.120 Water bridges -0.830
Solvation Hyd -10.860 Disulfide 0.000
VdW clashes 0.550 Electrost. Kon -1.890
Entropy sc 4.040 Part.cov.bonds 0.000
Entropy mc

0.990

 ΔGstability

27.840
       

Predicted ligand sequences for template [3GBQ2.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).
 
  3GBQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 IMVEMPRRGH 0.0
2 RMVEMPRRGH 0.01
3 IMPEMPRRGH 0.02
4 TMVEMPRRGH 0.02
5 IMVEMPHRGH 0.02
6 IMVPMPRRGH 0.03
7 RMVEMPHRGH 0.03
8 RMPEMPRRGH 0.03
9 TMPEMPRRGH 0.04
10 IMPEMPHRGH 0.04
11 TMVEMPHRGH 0.04
12 RMVPMPRRGH 0.04
13 IMVGMPRRGH 0.04
14 RMPEMPHRGH 0.05
15 IPVEMPRRGH 0.05
16 IMPPMPRRGH 0.05
17 TMVPMPRRGH 0.05
18 RMVGMPRRGH 0.05
19 IMVPMPHRGH 0.05
20 RMVPMPHRGH 0.06
21 TMVGMPRRGH 0.06
22 TMPEMPHRGH 0.06
23 IMPGMPRRGH 0.06
24 RPVEMPRRGH 0.06
25 IMVGMPHRGH 0.06
26 RMPPMPRRGH 0.06
27 IMPPMPHRGH 0.07
28 TMVPMPHRGH 0.07
29 TPVEMPRRGH 0.07
30 IPVEMPHRGH 0.07
31 TMPPMPRRGH 0.07
32 RMPGMPRRGH 0.07
33 RMVGMPHRGH 0.07
34 TMPGMPRRGH 0.08
35 RPVEMPHRGH 0.08
36 IMPGMPHRGH 0.08
37 IMVEMPRKGH 0.08
38 IPPEMPRRGH 0.08
39 IPVPMPRRGH 0.08
40 TMVGMPHRGH 0.08
41 RMPPMPHRGH 0.08
42 IMVEMPRRRH 0.09
43 TPVEMPHRGH 0.09
44 IPVGMPRRGH 0.09
45 TMPPMPHRGH 0.09
46 RMPGMPHRGH 0.09
47 RPVPMPRRGH 0.09
48 RMVEMPRKGH 0.09
49 RPPEMPRRGH 0.09
50 IMPEMPRKGH 0.1
51 IMVEMPHKGH 0.1
52 IMVEMPFRGH 0.1
53 RMVEMPRRRH 0.1
54 IPPEMPHRGH 0.1
55 IPVPMPHRGH 0.1
56 TMVEMPRKGH 0.1
57 TMPGMPHRGH 0.1
58 RPVGMPRRGH 0.1
59 TPVPMPRRGH 0.1
60 TPPEMPRRGH 0.1
61 TPVGMPRRGH 0.11
62 IMVEMPHRRH 0.11
63 IPPGMPRRGH 0.11
64 RPPEMPHRGH 0.11
65 IPPPMPRRGH 0.11
66 IMVPMPRKGH 0.11
67 RMVEMPFRGH 0.11
68 TMVEMPRRRH 0.11
69 RMVEMPHKGH 0.11
70 RPVPMPHRGH 0.11
71 RMPEMPRKGH 0.11
72 IPVGMPHRGH 0.11
73 TMVEMPFRGH 0.12
74 TMPEMPRKGH 0.12
75 IMVPMPRRRH 0.12
76 IMPEMPHKGH 0.12
77 IMPEMPFRGH 0.12
78 IMPEMPRRRH 0.12
79 RMVPMPRKGH 0.12
80 RPVGMPHRGH 0.12
81 RPPPMPRRGH 0.12
82 RMVEMPHRRH 0.12
83 IMVGMPRKGH 0.12
84 TMVEMPHKGH 0.12
85 TPVPMPHRGH 0.12
86 TPPEMPHRGH 0.12
87 RPPGMPRRGH 0.13
88 RMVGMPRKGH 0.13
89 IPPGMPHRGH 0.13
90 RMPEMPRRRH 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TMPEMPRRGH

2.82

-12.7

-9.88
2 IMVPMPRRGH

2.84

-12.57

-9.73
3 IMPPMPHRGH

2.61

-12.32

-9.71
4 IMPPMPRRGH

2.86

-12.37

-9.51
5 RMPPMPRRGH

2.67

-12.07

-9.4
6 RMVPMPRRGH

2.6

-11.96

-9.36
7 RMPEMPHRGH

3.46

-12.74

-9.28
8 IMVPMPHRGH

3.2

-12.41

-9.21
9 TPVEMPRRGH

2.77

-11.92

-9.15
10 RMPEMPRRGH

2.98

-12.05

-9.07
11 TMVEMPRRGH

2.8

-11.86

-9.06
12 IPVEMPHRGH

2.93

-11.89

-8.96
13 TMPEMPHRGH

2.74

-11.66

-8.92
14 IMPEMPRRGH

2.64

-11.48

-8.84
15 IMVEMPRRGH

3.33

-12.06

-8.73
16 TMVPMPRRGH

2.79

-11.46

-8.67
17 IMVEMPHRGH

3.3

-11.94

-8.64
18 IMVGMPHRGH

2.64

-11.23

-8.59
19 TMVPMPHRGH

2.69

-11.27

-8.58
20 TMVEMPHRGH

2.56

-11.08

-8.52
21 TMVGMPRRGH

3.2

-11.44

-8.24
22 RMVEMPHRGH

2.6

-10.76

-8.16
23 IMPEMPHRGH

2.53

-10.43

-7.9
24 IPVEMPRRGH

2.39

-10.19

-7.8
25 RMVGMPRRGH

2.85

-10.57

-7.72
26 RPVEMPRRGH

3.95

-11.56

-7.61
27 RMVEMPRRGH

3.48

-11.02

-7.54
28 RMVPMPHRGH

4.26

-11.58

-7.32
29 IMPGMPRRGH

4.28

-11.5

-7.22
30 IMVGMPRRGH

4.3

-10.75

-6.45

 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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