Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-9.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 0.248 ΔGbinding -3.124
TOTAL
 -2.876
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.485
Van der Waals -3.532 Backbone clash 0.011
Electrostatics 0.226 Helix dipole 0.000
Solvation Polar 3.967 Water bridges -0.036
Solvation Hyd -4.500 Disulfide 0.000
VdW clashes 0.009 Electrost. Kon 0.295
Entropy sc 1.027 Part.cov.bonds 0.000
Entropy mc

2.762

 ΔGstability

10.524
       

Predicted ligand sequences for model [LSB3_1SSH-9.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).
 
  LSB3_1SSH-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEYMPPRR 0.0
2 FRYMPPRR 0.04
3 FPYMPPRR 0.1
4 KEYMPPRR 0.12
5 FEYIPPRR 0.14
6 KRYMPPRR 0.16
7 FRYIPPRR 0.18
8 FEYKPPRR 0.2
9 FEFMPPRR 0.2
10 KPYMPPRR 0.22
11 FRFMPPRR 0.24
12 FPYIPPRR 0.24
13 FRYKPPRR 0.24
14 KEYIPPRR 0.25
15 FEYMPLRR 0.28
16 FEYMPRRR 0.29
17 KRYIPPRR 0.29
18 FPYKPPRR 0.3
19 FPFMPPRR 0.3
20 KEYKPPRR 0.31
21 KEFMPPRR 0.31
22 FRYMPLRR 0.32
23 FEFIPPRR 0.33
24 FRYMPRRR 0.33
25 KPYIPPRR 0.35
26 KRYKPPRR 0.35
27 KRFMPPRR 0.36
28 FEYMIPRR 0.36
29 FRFIPPRR 0.38
30 FEFKPPRR 0.39
31 FPYMPLRR 0.39
32 FRYMIPRR 0.4
33 KEYMPLRR 0.4
34 FPYMPRRR 0.4
35 KEYMPRRR 0.41
36 KPYKPPRR 0.42
37 FEYIPLRR 0.42
38 KPFMPPRR 0.42
39 FEYIPRRR 0.43
40 FPFIPPRR 0.44
41 FRFKPPRR 0.44
42 KRYMPLRR 0.44
43 KEFIPPRR 0.45
44 KRYMPRRR 0.45
45 FPYMIPRR 0.46
46 FRYIPLRR 0.46
47 KEYMIPRR 0.47
48 FRYIPRRR 0.47
49 FEFMPLRR 0.48
50 FEYKPLRR 0.48
51 KRFIPPRR 0.49
52 FEFMPRRR 0.49
53 FEYKPRRR 0.49
54 FEPMPPRR 0.49
55 FEYIIPRR 0.49
56 FPFKPPRR 0.5
57 KPYMPLRR 0.5
58 KPYMPRRR 0.51
59 KEFKPPRR 0.51
60 FRFMPLRR 0.52
61 FPYIPLRR 0.52
62 KRYMIPRR 0.52
63 FRYKPLRR 0.52
64 FPYIPRRR 0.53
65 FRFMPRRR 0.53
66 KEYIPLRR 0.53
67 FRPMPPRR 0.53
68 FRYKPRRR 0.53
69 KEYIPRRR 0.54
70 FRYIIPRR 0.54
71 KPFIPPRR 0.55
72 FEYKIPRR 0.55
73 KRFKPPRR 0.55
74 FEFMIPRR 0.56
75 FPYKPLRR 0.58
76 FPFMPLRR 0.58
77 KPYMIPRR 0.58
78 KRYIPLRR 0.58
79 FPFMPRRR 0.59
80 FPYKPRRR 0.59
81 KRYIPRRR 0.59
82 FPPMPPRR 0.59
83 KEYKPLRR 0.59
84 KEFMPLRR 0.6
85 FPYIIPRR 0.6
86 KEYKPRRR 0.6
87 FRYKIPRR 0.6
88 FRFMIPRR 0.6
89 KEYIIPRR 0.61
90 KPFKPPRR 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KEFMPPRR

1.4

-16.9

-15.5
2 FEYMIPRR

1.4

-16.64

-15.24
3 FRYMPPRR

1.34

-16.54

-15.2
4 KEYIPPRR

0.98

-15.94

-14.96
5 KRFMPPRR

1.09

-15.94

-14.85
6 FEYMPPRR

1.09

-15.65

-14.56
7 FRYMPRRR

1.3

-15.78

-14.48
8 FRFIPPRR

1.32

-15.71

-14.39
9 FEFMPPRR

1.13

-15.5

-14.37
10 FEFIPPRR

1.03

-15.16

-14.13
11 FEYMPLRR

1.4

-15.41

-14.01
12 FRFMPPRR

0.96

-14.87

-13.91
13 FEYIPPRR

1.08

-14.93

-13.85
14 KPYMPPRR

0.93

-14.72

-13.79
15 KRYKPPRR

1.05

-14.81

-13.76
16 FPYIPPRR

1.25

-14.94

-13.69
17 FRYMPLRR

1.11

-14.74

-13.63
18 KEYMPPRR

1.06

-14.63

-13.57
19 FPYMPPRR

1.84

-15.28

-13.44
20 FEYMPRRR

1.38

-14.76

-13.38
21 KRYMPPRR

1.06

-14.39

-13.33
22 KRYIPPRR

1.22

-14.52

-13.3
23 FRYIPPRR

1.17

-14.13

-12.96
24 FEFKPPRR

1.14

-13.94

-12.8
25 FRYKPPRR

1.23

-13.97

-12.74
26 KPYIPPRR

1.29

-13.86

-12.57
27 FPYKPPRR

1.04

-13.36

-12.32
28 FPFMPPRR

1.08

-12.93

-11.85
29 KEYKPPRR

1.46

-13.13

-11.67
30 FEYKPPRR

2.0

-13.43

-11.43

 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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