Predicted ligand sequences


ADAN-name: 1Z5S2.PDB (view again the scoring matrix)

PDB name: [1Z5S.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L D V L I V Y E L T P T
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
A
A
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 2.546 ΔGbinding -15.332
TOTAL
 -12.786
Backbone Hb -6.375 Cis_bond 0.000
Sidechain Hb -0.375 Torsional clash 0.826
Van der Waals -12.377 Backbone clash 0.904
Electrostatics -0.912 Helix dipole 0.000
Solvation Polar 12.534 Water bridges -0.236
Solvation Hyd -19.321 Disulfide 0.000
VdW clashes 2.010 Electrost. Kon -0.699
Entropy sc 2.429 Part.cov.bonds 0.000
Entropy mc

7.164

 ΔGstability

55.405
       

Predicted ligand sequences for template [1Z5S2.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).
 
  1Z5S2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WEEIELIWISYYP 0.0
2 PEEIELIWISYYP 0.03
3 WEEIELFWISYYP 0.04
4 PEEIELFWISYYP 0.07
5 WEEIELIWISYKP 0.14
6 WEEIELLWISYYP 0.15
7 WEEVELIWISYYP 0.16
8 PEEIELIWISYKP 0.17
9 WEEIELIWISYWP 0.17
10 PEEIELLWISYYP 0.18
11 WEEIELFWISYKP 0.18
12 PEEVELIWISYYP 0.19
13 WEEIELIWISYYK 0.19
14 PEEIELIWISYWP 0.2
15 CEEIELIWISYYP 0.2
16 WEEVELFWISYYP 0.2
17 PEEIELFWISYKP 0.21
18 WEEIELFWISYWP 0.21
19 PEEIELIWISYYK 0.22
20 WEEIELIWISYYW 0.22
21 WEEIELFWISYYK 0.23
22 PEEVELFWISYYP 0.23
23 WEEIELIWIYYYP 0.24
24 CEEIELFWISYYP 0.24
25 PEEIELFWISYWP 0.24
26 PEEIELIWISYYW 0.24
27 WEEIELIWFSYYP 0.25
28 PEEIELFWISYYK 0.26
29 WEEIELFWISYYW 0.26
30 PEEIELIWIYYYP 0.27
31 PEEIELIWFSYYP 0.27
32 PEEIELFWISYYW 0.28
33 WEEIELFWFSYYP 0.28
34 WEEIELIWIFYYP 0.28
35 WEEIELFWIYYYP 0.28
36 WEEIELLWISYKP 0.29
37 WEEIELIWHSYYP 0.3
38 WEEVELIWISYKP 0.3
39 PEEIELIWIFYYP 0.31
40 PEEIELFWFSYYP 0.31
41 PEEIELFWIYYYP 0.31
42 WEEVELLWISYYP 0.31
43 WEEIELLWISYWP 0.32
44 PEEIELLWISYKP 0.32
45 WEEIELFWIFYYP 0.32
46 PEEVELIWISYKP 0.33
47 PEEIELIWHSYYP 0.33
48 WEEVELIWISYWP 0.33
49 WEEIELIWISYKK 0.33
50 WEEVELFWISYKP 0.34
51 WEEIELFWHSYYP 0.34
52 PEEVELLWISYYP 0.34
53 WEEIELLWISYYK 0.34
54 CEEIELIWISYKP 0.34
55 CEEIELLWISYYP 0.35
56 WEEVELIWISYYK 0.35
57 PEEIELFWIFYYP 0.35
58 PEEIELLWISYWP 0.35
59 WEEIELLWISYYW 0.36
60 CEEVELIWISYYP 0.36
61 PEEIELIWISYKK 0.36
62 WEEIELIWISYWK 0.36
63 PEEVELIWISYWP 0.36
64 WEEIELIWISYKW 0.36
65 PEEVELFWISYKP 0.37
66 PEEIELFWHSYYP 0.37
67 PEEIELLWISYYK 0.37
68 CEEIELIWISYWP 0.37
69 WEEIELFWISYKK 0.37
70 WEEVELFWISYWP 0.37
71 CEEIELFWISYKP 0.38
72 WEEIELIWIYYKP 0.38
73 WEEVELIWISYYW 0.38
74 PEEVELIWISYYK 0.38
75 PEEIELLWISYYW 0.39
76 WEEIELLWFSYYP 0.39
77 PEEIELIWISYWK 0.39
78 WEEIELLWIYYYP 0.39
79 PEEIELIWISYKW 0.39
80 WEEIELIWISYWW 0.39
81 CEEIELIWISYYK 0.39
82 WEEIELIWFSYKP 0.39
83 WEEVELFWISYYK 0.39
84 PEEVELFWISYWP 0.4
85 PEEIELFWISYKK 0.4
86 WEEIELFWISYWK 0.4
87 WEEVELIWIYYYP 0.4
88 CEEVELFWISYYP 0.4
89 WEEIELFWISYKW 0.4
90 PEEVELIWISYYW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PEEIELIWISYYK

2.98

-23.1

-20.12
2 PEEVELIWISYYP

2.5

-22.54

-20.04
3 PEEVELFWISYYP

2.86

-22.61

-19.75
4 PEEIELFWISYWP

2.74

-22.47

-19.73
5 WEEIELIWISYKP

2.84

-22.56

-19.72
6 WEEIELIWFSYYP

2.9

-22.14

-19.24
7 WEEIELIWISYYW

3.81

-22.89

-19.08
8 PEEIELFWISYKP

3.37

-22.44

-19.07
9 PEEIELLWISYYP

2.71

-21.63

-18.92
10 WEEVELFWISYYP

3.42

-22.27

-18.85
11 PEEIELIWISYKP

2.89

-21.66

-18.77
12 WEEIELIWISYYP

3.5

-21.89

-18.39
13 WEEIELIWISYWP

3.87

-22.13

-18.26
14 PEEIELFWISYYP

3.11

-21.17

-18.06
15 WEEIELFWISYYP

3.87

-21.9

-18.03
16 PEEIELIWISYWP

3.3

-21.13

-17.83
17 CEEIELFWISYYP

3.0

-20.66

-17.66
18 WEEIELFWISYYW

3.61

-21.18

-17.57
19 PEEIELIWIYYYP

2.45

-19.97

-17.52
20 PEEIELFWISYYK

2.68

-20.15

-17.47
21 WEEVELIWISYYP

3.94

-21.36

-17.42
22 PEEIELIWISYYW

3.28

-20.62

-17.34
23 WEEIELFWISYKP

3.62

-20.59

-16.97
24 WEEIELFWISYYK

3.81

-20.72

-16.91
25 WEEIELLWISYYP

3.39

-20.28

-16.89
26 CEEIELIWISYYP

2.87

-19.6

-16.73
27 PEEIELIWISYYP

3.6

-20.1

-16.5
28 WEEIELIWISYYK

3.85

-20.31

-16.46
29 WEEIELFWISYWP

4.22

-20.27

-16.05
30 WEEIELIWIYYYP

4.0

-17.61

-13.61

 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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