Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK2-29.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 1.378 ΔGbinding -3.258
TOTAL
 -1.880
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.356
Van der Waals -3.146 Backbone clash -0.000
Electrostatics 0.274 Helix dipole 0.000
Solvation Polar 2.837 Water bridges -0.114
Solvation Hyd -4.927 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.267
Entropy sc 0.449 Part.cov.bonds 0.000
Entropy mc

1.990

 ΔGstability

9.117
       

Predicted ligand sequences for model [BBC1_1ZUK2-29.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).
 
  BBC1_1ZUK2-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWKRFRKWRH 0.0
2 EWKRFRKWRW 0.0
3 DWKRFRKWRW 0.01
4 DWKRFRKWRH 0.01
5 RWKRFRKWRW 0.04
6 RWKRFRKWRH 0.05
7 ERKRFRKWRH 0.06
8 ERKRFRKWRW 0.06
9 DRKRFRKWRW 0.06
10 DRKRFRKWRH 0.07
11 EWKRFRKWRR 0.1
12 ELKRFRKWRW 0.1
13 RRKRFRKWRH 0.1
14 RRKRFRKWRW 0.1
15 ELKRFRKWRH 0.11
16 DLKRFRKWRW 0.11
17 DLKRFRKWRH 0.11
18 DWKRFRKWRR 0.11
19 EWKRFRYWRW 0.12
20 EWKRFRYWRH 0.13
21 DWKRFRYWRW 0.13
22 DWKRFRYWRH 0.14
23 ERKRFRKWRR 0.15
24 RWKRFRKWRR 0.15
25 RLKRFRKWRW 0.15
26 RLKRFRKWRH 0.15
27 DRKRFRKWRR 0.16
28 RWKRFRYWRH 0.17
29 RWKRFRYWRW 0.17
30 ERKRFRYWRW 0.18
31 ERKRFRYWRH 0.18
32 EWKRFPKWRW 0.19
33 EWKRFPKWRH 0.19
34 DRKRFRYWRH 0.19
35 DRKRFRYWRW 0.19
36 ELKRFRKWRR 0.2
37 DWKRFPKWRW 0.2
38 DWKRFPKWRH 0.2
39 RRKRFRKWRR 0.2
40 DLKRFRKWRR 0.21
41 EWKRFRPWRW 0.21
42 EWKRFRPWRH 0.21
43 DWKRFRPWRW 0.21
44 DWKRFRPWRH 0.22
45 RWKRFPKWRW 0.23
46 RRKRFRYWRH 0.23
47 EWKRFRYWRR 0.23
48 ELKRFRYWRH 0.23
49 ELKRFRYWRW 0.23
50 RRKRFRYWRW 0.23
51 DWKRFRYWRR 0.23
52 RWKRFPKWRH 0.24
53 ERKRFPKWRW 0.24
54 DLKRFRYWRW 0.24
55 DLKRFRYWRH 0.24
56 ERKRFPKWRH 0.25
57 RWKRFRPWRW 0.25
58 DRKRFPKWRH 0.25
59 DRKRFPKWRW 0.25
60 RLKRFRKWRR 0.25
61 ERKRFRPWRW 0.26
62 RWKRFRPWRH 0.26
63 ERKRFRPWRH 0.27
64 RLKRFRYWRW 0.27
65 RWKRFRYWRR 0.27
66 DRKRFRPWRW 0.27
67 DRKRFRPWRH 0.27
68 EWKPFRKWRW 0.27
69 RLKRFRYWRH 0.28
70 ERKRFRYWRR 0.28
71 DWKPFRKWRW 0.28
72 EWKPFRKWRH 0.28
73 EWKRFPKWRR 0.29
74 RRKRFPKWRW 0.29
75 RRKRFPKWRH 0.29
76 ELKRFPKWRW 0.29
77 DWKPFRKWRH 0.29
78 ELKRFPKWRH 0.29
79 DRKRFRYWRR 0.29
80 DLKRFPKWRH 0.3
81 DWKRFPKWRR 0.3
82 DLKRFPKWRW 0.3
83 RRKRFRPWRH 0.31
84 RRKRFRPWRW 0.31
85 ELKRFRPWRH 0.31
86 ELKRFRPWRW 0.31
87 DWKFFRKWRW 0.31
88 EWKRFRPWRR 0.31
89 EWKFFRKWRW 0.31
90 EWKFFRKWRH 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ELKRFRKWRH

3.19

-13.61

-10.42
2 DLKRFRKWRH

2.7

-13.02

-10.32
3 RLKRFRKWRH

2.76

-13.0

-10.24
4 DLKRFRKWRW

2.86

-12.97

-10.11
5 ELKRFRKWRW

2.67

-12.6

-9.93
6 RLKRFRKWRW

2.82

-12.74

-9.92
7 DWKRFRKWRR

2.82

-12.59

-9.77
8 RWKRFRKWRR

2.89

-12.52

-9.63
9 EWKRFRKWRH

3.07

-12.65

-9.58
10 ERKRFRKWRR

2.87

-12.45

-9.58
11 DRKRFRKWRR

2.87

-12.44

-9.57
12 DRKRFRKWRH

2.54

-12.06

-9.52
13 RRKRFRKWRW

2.91

-12.41

-9.5
14 RWKRFRKWRH

3.21

-12.59

-9.38
15 ERKRFRKWRW

2.96

-12.26

-9.3
16 RWKRFRYWRW

2.66

-11.95

-9.29
17 DWKRFRKWRW

2.67

-11.91

-9.24
18 EWKRFRKWRR

2.73

-11.96

-9.23
19 RWKRFRKWRW

2.73

-11.93

-9.2
20 RWKRFRYWRH

2.61

-11.75

-9.14
21 ERKRFRYWRW

2.88

-11.99

-9.11
22 EWKRFRYWRH

2.82

-11.88

-9.06
23 DWKRFRKWRH

3.25

-12.29

-9.04
24 DRKRFRKWRW

2.82

-11.85

-9.03
25 RRKRFRKWRH

3.09

-12.09

-9.0
26 ERKRFRKWRH

3.29

-12.25

-8.96
27 EWKRFRYWRW

3.39

-12.14

-8.75
28 DWKRFRYWRH

3.28

-12.0

-8.72
29 EWKRFRKWRW

2.71

-11.1

-8.39
30 DWKRFRYWRW

3.17

-11.5

-8.33

 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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