Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-6.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

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 1.319 ΔGbinding -1.861
TOTAL
 -0.542
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.146
Van der Waals -3.611 Backbone clash 0.020
Electrostatics 0.137 Helix dipole 0.000
Solvation Polar 3.450 Water bridges -0.122
Solvation Hyd -5.074 Disulfide 0.000
VdW clashes 0.782 Electrost. Kon 0.162
Entropy sc 0.419 Part.cov.bonds 0.000
Entropy mc

2.125

 ΔGstability

51.243
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-6.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).
 
  BZZ1-D2_G2B-ABO-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRLCPRRPR 0.0
2 RPRLCWRRPR 0.09
3 RPRMCPRRPR 0.1
4 RPRLCFRRPR 0.11
5 RPRFCPRRPR 0.11
6 RERLCPRRPR 0.12
7 RPRLSPRRPR 0.15
8 RPRLCPRHPR 0.17
9 RPRMCWRRPR 0.19
10 RPRFCWRRPR 0.2
11 RPRLCPRRPK 0.2
12 RERLCWRRPR 0.21
13 RPRMCFRRPR 0.21
14 RERMCPRRPR 0.21
15 RERFCPRRPR 0.22
16 RPRLCPRRRR 0.22
17 RPRFCFRRPR 0.22
18 RPHLCPRRPR 0.23
19 RERLCFRRPR 0.23
20 RPRLSWRRPR 0.24
21 RPRMSPRRPR 0.25
22 RPRFSPRRPR 0.26
23 RPRLCPRKPR 0.26
24 RPRLSFRRPR 0.26
25 RPRLCWRHPR 0.27
26 RERLSPRRPR 0.27
27 RPRLCPRRMR 0.27
28 RPRMCPRHPR 0.27
29 RPRFCPRHPR 0.28
30 RERLCPRHPR 0.29
31 RPRLCFRHPR 0.29
32 RPRLCWRRPK 0.29
33 RPRMCPRRPK 0.3
34 RERLCPRRPK 0.31
35 RPRLCWRRRR 0.31
36 RPRLCFRRPK 0.31
37 RERMCWRRPR 0.31
38 RPRFCPRRPK 0.31
39 RPHLCWRRPR 0.32
40 RPRMCPRRRR 0.32
41 RPHMCPRRPR 0.32
42 RERFCWRRPR 0.32
43 RPRLSPRHPR 0.32
44 MPRLCPRRPR 0.33
45 RPHFCPRRPR 0.33
46 RPRLCFRRRR 0.33
47 RPRLCPRRPH 0.33
48 RERMCFRRPR 0.33
49 RPRFCPRRRR 0.33
50 RPRMSWRRPR 0.34
51 RPHLCFRRPR 0.34
52 RERLCPRRRR 0.34
53 REHLCPRRPR 0.34
54 RERFCFRRPR 0.34
55 RPTLCPRRPR 0.34
56 RPRFSWRRPR 0.35
57 RPRLSPRRPK 0.35
58 RPRLCWRKPR 0.35
59 RPRMSFRRPR 0.36
60 RERMSPRRPR 0.36
61 RPRLCWRRMR 0.36
62 RERLSWRRPR 0.36
63 RPRMCWRHPR 0.36
64 RPRMCPRKPR 0.36
65 RERLCPRKPR 0.37
66 RRRLCPRRPR 0.37
67 RPRLCFRKPR 0.37
68 RERFSPRRPR 0.37
69 RPRLCPRHPK 0.37
70 RPRFCPRKPR 0.37
71 RPRMCPRRMR 0.37
72 RPRFCWRHPR 0.37
73 RPRFSFRRPR 0.37
74 RPRLSPRRRR 0.37
75 RPRLCFRRMR 0.38
76 RPRMCFRHPR 0.38
77 RPRFCPRRMR 0.38
78 RERLSFRRPR 0.38
79 RERLCPRRMR 0.38
80 RPHLSPRRPR 0.38
81 RERLCWRHPR 0.38
82 RPRFCFRHPR 0.39
83 RPRMCWRRPK 0.39
84 RPRLCPRHRR 0.39
85 RERMCPRHPR 0.39
86 RERFCPRHPR 0.4
87 RPRFCWRRPK 0.4
88 RERLCFRHPR 0.4
89 RPHLCPRHPR 0.4
90 RPRLSWRHPR 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRMSPRRPR

2.79

-13.04

-10.25
2 RPRLSFRRPR

2.9

-12.52

-9.62
3 RPRLSPRRPR

2.97

-12.3

-9.33
4 RPRFSPRRPR

2.77

-11.82

-9.05
5 RPRFCWRRPR

3.0

-11.26

-8.26
6 RPRMCWRRPR

2.98

-11.16

-8.18
7 RPRLCWRHPR

2.69

-10.53

-7.84
8 RPRLCWRRPR

3.05

-10.71

-7.66
9 RPRMCPRRPR

3.56

-11.17

-7.61
10 RERLSPRRPR

3.27

-10.53

-7.26
11 RPRMCFRRPR

3.11

-10.28

-7.17
12 RPRLSWRRPR

2.86

-9.98

-7.12
13 RPRMCPRHPR

3.14

-10.12

-6.98
14 RPHLCPRRPR

3.19

-9.97

-6.78
15 RPRLCFRRPR

3.03

-9.59

-6.56
16 RPRLCPRRRR

3.51

-10.04

-6.53
17 RPRLCPRRMR

3.56

-9.91

-6.35
18 RPRLCPRHPR

3.22

-9.52

-6.3
19 RPRFCPRRPR

3.64

-9.84

-6.2
20 RPRLCPRRPR

3.12

-9.3

-6.18
21 RERMCPRRPR

3.46

-9.41

-5.95
22 RERFCPRRPR

3.38

-9.31

-5.93
23 RPRFCPRHPR

2.57

-8.46

-5.89
24 RERLCFRRPR

3.5

-9.38

-5.88
25 RERLCPRRPR

3.42

-9.24

-5.82
26 RPRFCFRRPR

3.87

-9.39

-5.52
27 RPRLCPRKPR

3.15

-8.62

-5.47
28 RERLCWRRPR

3.69

-7.82

-4.13
29 RERLCPRHPR

3.24

-7.27

-4.03
30 RPRLCPRRPK

3.31

-7.15

-3.84

 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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