Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-8.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 1.189 ΔGbinding -1.192
TOTAL
 -0.003
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.798
Van der Waals -3.586 Backbone clash 2.810
Electrostatics 0.199 Helix dipole 0.000
Solvation Polar 4.229 Water bridges -0.074
Solvation Hyd -4.577 Disulfide 0.000
VdW clashes 1.882 Electrost. Kon 0.226
Entropy sc 1.020 Part.cov.bonds 0.000
Entropy mc

3.016

 ΔGstability

13.326
       

Predicted ligand sequences for model [BZZ1-D2_2A28-8.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_2A28-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWPPRRRR 0.0
2 RWPPRRHR 0.17
3 RWPWRRRR 0.22
4 RWPFRRRR 0.23
5 HWPPRRRR 0.24
6 KWPPRRRR 0.29
7 RWPPRRER 0.34
8 RWRPRRRR 0.36
9 RWPFRRHR 0.39
10 RWPWRRHR 0.39
11 HWPPRRHR 0.41
12 RWPPRKRR 0.45
13 KWPPRRHR 0.46
14 HWPWRRRR 0.46
15 HWPFRRRR 0.47
16 RWPPRRRF 0.47
17 KWPFRRRR 0.51
18 KWPWRRRR 0.51
19 RWRPRRHR 0.53
20 RWPWRRER 0.55
21 RWPFRRER 0.56
22 RWRWRRRR 0.58
23 HWPPRRER 0.58
24 RWRFRRRR 0.58
25 HWRPRRRR 0.6
26 RWPPRKHR 0.61
27 KWPPRRER 0.62
28 HWPFRRHR 0.63
29 HWPWRRHR 0.63
30 RWPPRRHF 0.64
31 KWRPRRRR 0.65
32 RWPWRKRR 0.66
33 RWPFRKRR 0.67
34 KWPWRRHR 0.67
35 KWPFRRHR 0.68
36 HWPPRKRR 0.69
37 RWPWRRRF 0.69
38 RWPFRRRF 0.69
39 RWRPRRER 0.69
40 HWPPRRRF 0.71
41 KWPPRKRR 0.73
42 RWRWRRHR 0.74
43 RWRFRRHR 0.75
44 KWPPRRRF 0.76
45 HWRPRRHR 0.77
46 RWPPRKER 0.78
47 HWPWRRER 0.79
48 HWPFRRER 0.8
49 RWPPRREF 0.8
50 RWRPRKRR 0.8
51 HWRWRRRR 0.82
52 HWRFRRRR 0.82
53 KWRPRRHR 0.82
54 RWPWRKHR 0.83
55 RWRPRRRF 0.83
56 KWPWRRER 0.84
57 RWPFRKHR 0.84
58 RWPWRRHF 0.85
59 KWPFRRER 0.85
60 RWPFRRHF 0.86
61 HWPPRKHR 0.86
62 KWRWRRRR 0.86
63 KWRFRRRR 0.87
64 HWPPRRHF 0.88
65 HWPWRKRR 0.9
66 KWPPRKHR 0.9
67 HWPFRKRR 0.91
68 RWRWRRER 0.91
69 RWPPRKRF 0.91
70 RWRFRRER 0.92
71 KWPPRRHF 0.93
72 HWPFRRRF 0.93
73 HWPWRRRF 0.93
74 HWRPRRER 0.94
75 KWPWRKRR 0.95
76 KWPFRKRR 0.96
77 RWRPRKHR 0.97
78 KWPWRRRF 0.97
79 KWRPRRER 0.98
80 KWPFRRRF 0.98
81 HWRWRRHR 0.98
82 HWRFRRHR 0.99
83 RWPWRKER 1.0
84 RWRPRRHF 1.0
85 RWPFRKER 1.01
86 HWPPRKER 1.02
87 RWPWRREF 1.02
88 RWRWRKRR 1.02
89 RWRFRKRR 1.03
90 KWRWRRHR 1.03
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWPPRRER

3.99

-10.57

-6.58
2 RWPWRRHR

4.05

-10.34

-6.29
3 RWPWRRRR

3.97

-10.23

-6.26
4 HWPPRRHR

3.8

-9.94

-6.14
5 RWPPRRHF

3.51

-9.57

-6.06
6 HWPFRRRR

3.92

-9.83

-5.91
7 RWPWRRER

3.8

-9.58

-5.78
8 HWPPRRER

4.58

-10.25

-5.67
9 RWRPRRRR

4.17

-9.77

-5.6
10 RWPPRKHR

3.76

-9.34

-5.58
11 RWPFRRRR

4.26

-9.41

-5.15
12 RWRPRRHR

4.15

-9.25

-5.1
13 RWPFRRHR

3.7

-8.73

-5.03
14 KWPPRRHR

3.75

-8.73

-4.98
15 RWPFRRER

3.75

-8.62

-4.87
16 RWPPRRRF

3.96

-8.82

-4.86
17 HWPPRRRR

4.12

-8.91

-4.79
18 RWPPRKRR

3.73

-8.48

-4.75
19 KWPPRRRR

4.28

-8.85

-4.57
20 RWPPRRHR

4.64

-9.13

-4.49
21 KWPPRRER

4.2

-8.68

-4.48
22 HWPWRRHR

4.05

-8.51

-4.46
23 HWPFRRHR

4.0

-8.43

-4.43
24 RWRWRRRR

3.85

-8.26

-4.41
25 RWRFRRRR

4.1

-8.5

-4.4
26 HWRPRRRR

4.27

-7.97

-3.7
27 RWPPRRRR

4.38

-7.87

-3.49
28 KWPWRRRR

4.37

-7.83

-3.46
29 KWPFRRRR

4.01

-7.35

-3.34
30 HWPWRRRR

4.24

-7.28

-3.04

 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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