Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-19.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
poly-Ala A A A A
A
G
 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 4.140 ΔGbinding -3.388
TOTAL
 0.752
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.211
Van der Waals -5.703 Backbone clash 0.040
Electrostatics 0.661 Helix dipole 0.000
Solvation Polar 5.906 Water bridges 0.000
Solvation Hyd -7.972 Disulfide 0.000
VdW clashes 1.827 Electrost. Kon 0.507
Entropy sc 1.100 Part.cov.bonds 0.000
Entropy mc

2.625

 ΔGstability

11.027
       

Predicted ligand sequences for model [PEX13_1N5Z-19.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).
 
  PEX13_1N5Z-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPSMRGRRI 0.0
2 RPSMRGKRI 0.07
3 RPSKRGRRI 0.21
4 HPSMRGRRI 0.26
5 KPSMRGRRI 0.27
6 RPSKRGKRI 0.28
7 RDSMRGRRI 0.29
8 RPSMRGRKI 0.32
9 HPSMRGKRI 0.32
10 KPSMRGKRI 0.34
11 RPSRRGRRI 0.35
12 RDSMRGKRI 0.36
13 RPSMRGKKI 0.38
14 RPSRRGKRI 0.42
15 RPIMRGRRI 0.43
16 RPSMRGRRW 0.46
17 HPSKRGRRI 0.46
18 RPSMRGMRI 0.47
19 RPSMRGRNI 0.47
20 RPKMRGRRI 0.47
21 RPSMRGRRF 0.47
22 KPSKRGRRI 0.48
23 RMSMRGRRI 0.48
24 RPIMRGKRI 0.5
25 RDSKRGRRI 0.5
26 RPSMRGKRW 0.53
27 RPSKRGRKI 0.53
28 RPKMRGKRI 0.53
29 HPSKRGKRI 0.53
30 KPSKRGKRI 0.54
31 RPSMRGKNI 0.54
32 RPSMRGKRF 0.54
33 HDSMRGRRI 0.55
34 RMSMRGKRI 0.55
35 KDSMRGRRI 0.56
36 HPSMRGRKI 0.57
37 RDSKRGKRI 0.57
38 KPSMRGRKI 0.59
39 RPSKRGKKI 0.59
40 RDSMRGRKI 0.61
41 HDSMRGKRI 0.61
42 HPSRRGRRI 0.61
43 KPSRRGRRI 0.62
44 KDSMRGKRI 0.63
45 RPIKRGRRI 0.64
46 HPSMRGKKI 0.64
47 KPSMRGKKI 0.65
48 RDSRRGRRI 0.65
49 RPSKRGRRW 0.67
50 RPSRRGRKI 0.67
51 RPSKRGRRF 0.68
52 RDSMRGKKI 0.68
53 RPSKRGMRI 0.68
54 RPKKRGRRI 0.68
55 RPSKRGRNI 0.68
56 HPSRRGKRI 0.68
57 HPIMRGRRI 0.69
58 RMSKRGRRI 0.69
59 KPSRRGKRI 0.69
60 KPIMRGRRI 0.7
61 RPIKRGKRI 0.71
62 RDSRRGKRI 0.71
63 HPSMRGRNI 0.72
64 HPSMRGMRI 0.72
65 HPKMRGRRI 0.72
66 HPSMRGRRW 0.72
67 KPSMRGRRW 0.73
68 RDIMRGRRI 0.73
69 HPSMRGRRF 0.73
70 KPSMRGRRF 0.74
71 KPSMRGRNI 0.74
72 KPKMRGRRI 0.74
73 RPSKRGKRW 0.74
74 RPSRRGKKI 0.74
75 RPKKRGKRI 0.74
76 KPSMRGMRI 0.74
77 HMSMRGRRI 0.74
78 RPSKRGKNI 0.74
79 RPIMRGRKI 0.75
80 KMSMRGRRI 0.75
81 RPSKRGKRF 0.75
82 RDKMRGRRI 0.76
83 HDSKRGRRI 0.76
84 HPIMRGKRI 0.76
85 RDSMRGRNI 0.76
86 RMSKRGKRI 0.76
87 RDSMRGMRI 0.76
88 RDSMRGRRW 0.76
89 KDSKRGRRI 0.77
90 KPIMRGKRI 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPSRRGKRI

3.08

-10.62

-7.54
2 RPKMRGRRI

3.27

-10.43

-7.16
3 RPSMRGRRI

3.01

-9.96

-6.95
4 RPSRRGRRI

3.15

-10.08

-6.93
5 RPSMRGMRI

3.08

-9.85

-6.77
6 RMSMRGRRI

3.47

-10.21

-6.74
7 KPSKRGKRI

2.93

-9.61

-6.68
8 KPSKRGRRI

3.29

-9.94

-6.65
9 RPIMRGRRI

3.26

-9.63

-6.37
10 RPSMRGKKI

3.04

-9.33

-6.29
11 RPKMRGKRI

2.93

-9.05

-6.12
12 HPSKRGKRI

2.99

-9.11

-6.12
13 RPSKRGRRI

3.24

-9.29

-6.05
14 KPSMRGRRI

3.89

-9.79

-5.9
15 RPSMRGRKI

3.63

-9.5

-5.87
16 HPSKRGRRI

2.98

-8.84

-5.86
17 RDSMRGKRI

4.24

-10.1

-5.86
18 RDSKRGRRI

3.15

-8.98

-5.83
19 RPSKRGKRI

3.62

-9.27

-5.65
20 KPSMRGKRI

3.81

-9.41

-5.6
21 RPSMRGRNI

3.38

-8.96

-5.58
22 HPSMRGRRI

3.38

-8.7

-5.32
23 RPIMRGKRI

3.81

-9.07

-5.26
24 RPSKRGRKI

3.81

-8.95

-5.14
25 RDSMRGRRI

3.11

-8.22

-5.11
26 RPSMRGKRI

4.02

-8.91

-4.89
27 HPSMRGKRI

3.57

-8.28

-4.71
28 RPSMRGRRF

3.16

-7.16

-4.0
29 RPSMRGRRW

3.61

-5.39

-1.78
30 RPSMRGKRW

3.45

-5.03

-1.58

 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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