Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 5.474 ΔGbinding -1.337
TOTAL
 4.137
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.749
Van der Waals -3.626 Backbone clash 0.002
Electrostatics 0.451 Helix dipole 0.000
Solvation Polar 3.728 Water bridges -0.045
Solvation Hyd -5.053 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon 0.523
Entropy sc 0.467 Part.cov.bonds 0.000
Entropy mc

2.683

 ΔGstability

80.397
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-11.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-D1_G2B-ABO-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRPRM 0.0
2 RRPRPPM 0.0
3 RRPRFPM 0.0
4 RRPRFRM 0.0
5 RRPMPPM 0.01
6 RRPMPRM 0.01
7 RRPMFRM 0.01
8 RRPMFPM 0.01
9 RRPKFRM 0.09
10 RRPKPPM 0.09
11 RRPKFPM 0.09
12 RRPKPRM 0.1
13 RRPRFGM 0.12
14 RRPRPGM 0.12
15 RRPMFGM 0.13
16 RRPMPGM 0.13
17 RRPMPPF 0.18
18 RRPRPRF 0.18
19 RRPMFRF 0.18
20 RRPMFPF 0.18
21 RRPRPPF 0.18
22 RRPRFPF 0.18
23 RRPRFRF 0.18
24 RRPMPRF 0.19
25 RRERFPM 0.2
26 RRERPPM 0.2
27 RRERPRM 0.2
28 RRERFRM 0.2
29 RREMFPM 0.2
30 RREMPPM 0.21
31 RREMFRM 0.21
32 RRPKPGM 0.21
33 RRPKFGM 0.21
34 RREMPRM 0.21
35 RRPRPPK 0.22
36 RRPRFPK 0.22
37 RRPRFRK 0.22
38 RRPMPPK 0.23
39 RRRRFPM 0.23
40 RRPRPRK 0.23
41 RRPMPRK 0.23
42 RRPMFRK 0.23
43 RRPMFPK 0.23
44 RRRMPPM 0.24
45 RRRRPPM 0.24
46 RRRRPRM 0.24
47 RRRMFPM 0.24
48 RRRRFRM 0.24
49 RRRMFRM 0.24
50 RRRMPRM 0.25
51 RRPKFRF 0.27
52 RRPKPRF 0.27
53 RRPKPPF 0.27
54 RRPKFPF 0.27
55 MRPRFPM 0.28
56 MRPRFRM 0.28
57 MRPRPRM 0.28
58 MRPRPPM 0.28
59 RREKPPM 0.29
60 MRPMPRM 0.29
61 RREKFRM 0.29
62 MRPMFRM 0.29
63 RREKPRM 0.29
64 RREKFPM 0.29
65 MRPMPPM 0.29
66 MRPMFPM 0.29
67 RRPMFGF 0.3
68 RRPRFGF 0.3
69 RRPRPGF 0.3
70 RRPMPGF 0.3
71 RRPKFPK 0.31
72 RRPKFRK 0.32
73 RRERPGM 0.32
74 RRPKPRK 0.32
75 RRPKPPK 0.32
76 RRERFGM 0.32
77 RREMFGM 0.32
78 RRRKPPM 0.33
79 RRRKPRM 0.33
80 RRRKFRM 0.33
81 RREMPGM 0.33
82 RRRKFPM 0.33
83 RRPRFGK 0.34
84 RRPRPGK 0.34
85 RRPMFGK 0.35
86 RRRRFGM 0.35
87 RRPMPGK 0.35
88 RRRRPGM 0.36
89 RRRMFGM 0.36
90 RRRMPGM 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPMPPF

2.17

-6.03

-3.86
2 RRPMPGM

2.81

-6.66

-3.85
3 RRPRPRF

2.5

-6.14

-3.64
4 RRPMPPM

2.1

-5.52

-3.42
5 RREMPPM

2.35

-5.68

-3.33
6 RRPMPRM

2.47

-5.67

-3.2
7 RRPRPPF

2.17

-5.22

-3.05
8 RRPRPRM

2.48

-5.14

-2.66
9 RRPMPRF

2.89

-5.38

-2.49
10 RRPRPPM

2.85

-5.32

-2.47
11 RRPMFRF

3.35

-5.64

-2.29
12 RRPKPPM

3.01

-5.2

-2.19
13 RREMFPM

2.83

-4.95

-2.12
14 RRERPPM

2.21

-4.33

-2.12
15 RRPRFPF

3.63

-5.71

-2.08
16 RRPMFPF

2.5

-4.53

-2.03
17 RRPRFRF

3.05

-4.72

-1.67
18 RRERFPM

3.19

-4.66

-1.47
19 RRPMFPM

2.69

-4.05

-1.36
20 RRERPRM

2.57

-3.89

-1.32
21 RRPMFGM

2.72

-4.02

-1.3
22 RRPKPRM

3.64

-4.55

-0.91
23 RRPKFPM

3.57

-3.92

-0.35
24 RRPRPGM

3.06

-3.37

-0.31
25 RRERFRM

3.52

-3.64

-0.12
26 RRPRFRM

3.12

-3.18

-0.06
27 RRPMFRM

3.43

-3.39

0.04
28 RRPRFPM

3.11

-2.81

0.3
29 RRPKFRM

4.38

-3.92

0.46
30 RRPRFGM

3.2

-2.46

0.74

 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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