Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-6.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 2.647 ΔGbinding 2.277
TOTAL
 4.924
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.125
Van der Waals -3.321 Backbone clash 2.819
Electrostatics 0.070 Helix dipole 0.000
Solvation Polar 3.318 Water bridges 0.000
Solvation Hyd -4.450 Disulfide 0.000
VdW clashes 4.357 Electrost. Kon 0.054
Entropy sc 0.492 Part.cov.bonds 0.000
Entropy mc

1.908

 ΔGstability

22.756
       

Predicted ligand sequences for model [BZZ1-D2_2A28-6.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_2A28-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRRGRRPPR 0.0
2 RKRRGRRRPR 0.05
3 RKRRGRRHPR 0.08
4 RKRRGWRPPR 0.19
5 RKRRGFRPPR 0.21
6 RKHRGRRPPR 0.21
7 RKRRGWRRPR 0.24
8 RKHRGRRRPR 0.26
9 RKRRGFRRPR 0.27
10 RKRRGWRHPR 0.27
11 RKRRGRRPMR 0.28
12 RKHRGRRHPR 0.29
13 RKRRGFRHPR 0.3
14 RKRRGRRPRR 0.32
15 RKIRGRRPPR 0.32
16 RKRRGRRRMR 0.33
17 RKRRGRRHMR 0.36
18 RKRRGRMPPR 0.36
19 RKRRGRRRRR 0.37
20 RKIRGRRRPR 0.38
21 RKRRGRRHRR 0.4
22 RKIRGRRHPR 0.4
23 RKHRGWRPPR 0.4
24 RKRRGRMRPR 0.41
25 RKHRGFRPPR 0.43
26 RKRRGRMHPR 0.44
27 RKHRGWRRPR 0.46
28 RKRRGWRPMR 0.47
29 RKRRGRRPPH 0.47
30 RKHRGWRHPR 0.48
31 RKHRGFRRPR 0.48
32 RKRRGFRPMR 0.49
33 RKHRGRRPMR 0.49
34 RKHRGFRHPR 0.51
35 RKRRGWRPRR 0.51
36 RKIRGWRPPR 0.52
37 RKRRGWRRMR 0.52
38 RKRRGRRRPH 0.52
39 RKHRGRRPRR 0.53
40 RKRRGFRPRR 0.53
41 RKIRGFRPPR 0.54
42 RKRRGFRRMR 0.54
43 RKHRGRRRMR 0.54
44 RKRRGWMPPR 0.55
45 RKRRGWRHMR 0.55
46 RKRRGRRHPH 0.55
47 RKRRGWRRRR 0.56
48 RKHRGRRHMR 0.57
49 RKIRGWRRPR 0.57
50 RKHRGRMPPR 0.57
51 RKRRGFMPPR 0.57
52 RKRRGFRHMR 0.57
53 RKHRGRRRRR 0.58
54 RKRRGWRHRR 0.59
55 RKRRGFRRRR 0.59
56 RKIRGFRRPR 0.59
57 RKRRGWMRPR 0.6
58 RKIRGWRHPR 0.6
59 RKIRGRRPMR 0.6
60 RKHRGRRHRR 0.61
61 RKRRGFRHRR 0.61
62 RKHRGRMRPR 0.62
63 RKIRGFRHPR 0.62
64 RKRRGFMRPR 0.63
65 RKRRGWMHPR 0.63
66 RKIRGRRPRR 0.64
67 RKRRGRMPMR 0.64
68 RKIRGRRRMR 0.65
69 RKHRGRMHPR 0.65
70 RKRRGFMHPR 0.66
71 RKRRGWRPPH 0.66
72 RKIRGRRHMR 0.68
73 RKRRGFRPPH 0.68
74 RKRRGRMPRR 0.68
75 RKIRGRMPPR 0.68
76 RKHRGWRPMR 0.68
77 RKHRGRRPPH 0.68
78 RKIRGRRRRR 0.69
79 RKRRGRMRMR 0.69
80 RKHRGFRPMR 0.7
81 RKRRGWRRPH 0.71
82 RKRRGRMHMR 0.72
83 RKIRGRRHRR 0.72
84 RKHRGWRPRR 0.72
85 RKRRGFRRPH 0.73
86 RKRRGRMRRR 0.73
87 RKHRGRRRPH 0.73
88 RKHRGWRRMR 0.73
89 RKIRGRMRPR 0.74
90 RKRRGRRPMH 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRRGRRRRR

3.46

-9.57

-6.11
2 RKRRGRRHRR

3.18

-9.25

-6.07
3 RKRRGRRRPR

3.4

-9.45

-6.05
4 RKHRGRRRPR

3.33

-9.17

-5.84
5 RKIRGRRRPR

3.1

-8.9

-5.8
6 RKRRGRRRMR

3.17

-8.78

-5.61
7 RKHRGWRRPR

3.42

-9.01

-5.59
8 RKRRGRMRPR

3.2

-8.72

-5.52
9 RKRRGWRRPR

3.13

-8.57

-5.44
10 RKHRGRRHPR

3.14

-8.49

-5.35
11 RKRRGRRPRR

3.23

-8.42

-5.19
12 RKRRGFRRPR

3.16

-8.24

-5.08
13 RKRRGWRPPR

3.34

-8.33

-4.99
14 RKRRGRRPPH

3.4

-8.33

-4.93
15 RKRRGFRHPR

3.15

-8.07

-4.92
16 RKRRGWRHPR

3.03

-7.94

-4.91
17 RKRRGRRPPR

3.18

-8.08

-4.9
18 RKRRGRMPPR

3.35

-8.21

-4.86
19 RKRRGRRHMR

3.15

-7.98

-4.83
20 RKRRGFRPPR

2.99

-7.8

-4.81
21 RKIRGRRHPR

3.19

-7.93

-4.74
22 RKRRGRMHPR

3.19

-7.9

-4.71
23 RKHRGWRHPR

3.22

-7.86

-4.64
24 RKRRGWRPMR

3.46

-8.01

-4.55
25 RKRRGRRHPR

3.32

-7.76

-4.44
26 RKRRGRRPMR

3.06

-7.49

-4.43
27 RKHRGFRPPR

3.11

-7.47

-4.36
28 RKHRGRRPPR

3.13

-7.44

-4.31
29 RKIRGRRPPR

3.08

-7.22

-4.14
30 RKHRGWRPPR

3.39

-7.31

-3.92

 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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