Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-13.PDB (view again the scoring matrix)

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

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 5.542 ΔGbinding -0.653
TOTAL
 4.889
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.552
Van der Waals -3.104 Backbone clash 0.000
Electrostatics 0.476 Helix dipole 0.000
Solvation Polar 3.230 Water bridges -0.122
Solvation Hyd -4.201 Disulfide 0.000
VdW clashes 0.172 Electrost. Kon 0.602
Entropy sc 0.459 Part.cov.bonds 0.000
Entropy mc

2.556

 ΔGstability

82.171
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPRIPRR 0.0
2 RPRRIPRR 0.01
3 RNPRIPRR 0.01
4 RNRRIPRR 0.02
5 RPKRIPRR 0.07
6 RPRRIRRR 0.08
7 RPPRIRRR 0.08
8 RNPRIRRR 0.09
9 RNKRIPRR 0.09
10 RPERIPRR 0.1
11 RNRRIRRR 0.1
12 RNERIPRR 0.11
13 RPKRIRRR 0.15
14 RNKRIRRR 0.16
15 RPERIRRR 0.17
16 RPRRIFRR 0.19
17 RNERIRRR 0.19
18 RPPRIFRR 0.19
19 RNPRIFRR 0.2
20 RPPRIWRR 0.21
21 RPRRIWRR 0.21
22 RNRRIFRR 0.21
23 RNPRIWRR 0.22
24 RNRRIWRR 0.23
25 RPKRIFRR 0.26
26 RNKRIFRR 0.27
27 RPERIFRR 0.28
28 RPKRIWRR 0.28
29 RNKRIWRR 0.29
30 RPPRIPKR 0.3
31 RPERIWRR 0.3
32 RPRRIPKR 0.3
33 RNERIFRR 0.3
34 RNPRIPKR 0.31
35 RNERIWRR 0.32
36 RNRRIPKR 0.32
37 MPPRIPRR 0.35
38 MPRRIPRR 0.35
39 MNPRIPRR 0.36
40 RPKRIPKR 0.37
41 MNRRIPRR 0.37
42 RPPRIRKR 0.37
43 RPRRIRKR 0.38
44 RNKRIPKR 0.38
45 RNPRIRKR 0.39
46 RPERIPKR 0.39
47 RNRRIRKR 0.4
48 RNERIPKR 0.41
49 MPKRIPRR 0.42
50 MPPRIRRR 0.42
51 MPRRIRRR 0.43
52 MNKRIPRR 0.43
53 RPKRIRKR 0.44
54 MNPRIRRR 0.44
55 MPERIPRR 0.44
56 MNRRIRRR 0.45
57 MNERIPRR 0.46
58 RNKRIRKR 0.46
59 RPERIRKR 0.47
60 RPPRIFKR 0.48
61 RNERIRKR 0.48
62 RPRRIFKR 0.49
63 MPKRIRRR 0.49
64 RPPRIWKR 0.5
65 RNPRIFKR 0.5
66 MNKRIRRR 0.51
67 RNRRIFKR 0.51
68 RPRRIWKR 0.51
69 RNPRIWKR 0.52
70 RNRRIWKR 0.52
71 MPERIRRR 0.52
72 MNERIRRR 0.53
73 MPPRIFRR 0.53
74 MPRRIFRR 0.54
75 RPKRIFKR 0.55
76 MNRRIFRR 0.55
77 MNPRIFRR 0.55
78 MPPRIWRR 0.55
79 MPRRIWRR 0.56
80 RNKRIFKR 0.57
81 MNRRIWRR 0.57
82 RPKRIWKR 0.57
83 MNPRIWRR 0.57
84 RPERIFKR 0.58
85 RNKRIWKR 0.59
86 RNERIFKR 0.59
87 RPERIWKR 0.6
88 MPKRIFRR 0.6
89 RNERIWKR 0.61
90 MNKRIFRR 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRRIPRR

2.65

-11.66

-9.01
2 RPRRIRRR

2.91

-11.54

-8.63
3 RPRRIWRR

2.45

-10.89

-8.44
4 RPKRIFRR

2.5

-10.85

-8.35
5 RPERIRRR

2.83

-10.94

-8.11
6 RPPRIRRR

3.26

-11.36

-8.1
7 RPPRIFRR

2.95

-10.85

-7.9
8 RPKRIRRR

2.76

-10.64

-7.88
9 RPKRIPRR

2.77

-10.5

-7.73
10 RPRRIFRR

2.89

-10.61

-7.72
11 RPERIPRR

3.24

-10.87

-7.63
12 RPERIFRR

3.02

-10.49

-7.47
13 RPPRIPRR

2.78

-10.19

-7.41
14 RPKRIWRR

3.12

-10.52

-7.4
15 RPPRIWRR

3.08

-10.42

-7.34
16 RNKRIPRR

3.35

-10.56

-7.21
17 RNKRIRRR

2.98

-10.13

-7.15
18 RNKRIWRR

3.05

-10.16

-7.11
19 RNRRIRRR

3.51

-10.45

-6.94
20 RNRRIFRR

2.83

-9.65

-6.82
21 RNRRIPRR

4.25

-10.98

-6.73
22 RNERIRRR

3.46

-10.15

-6.69
23 RNKRIFRR

3.18

-9.34

-6.16
24 RNPRIWRR

3.53

-9.68

-6.15
25 RNPRIFRR

3.36

-9.43

-6.07
26 RNERIPRR

3.35

-9.0

-5.65
27 RNPRIPRR

3.07

-8.65

-5.58
28 RNPRIRRR

3.15

-8.56

-5.41
29 RPPRIPKR

3.71

-9.08

-5.37
30 RNRRIWRR

3.89

-9.25

-5.36

 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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