Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-26.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
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 2.078 ΔGbinding 3.208
TOTAL
 5.286
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.601
Van der Waals -3.750 Backbone clash 0.009
Electrostatics 0.186 Helix dipole 0.000
Solvation Polar 4.390 Water bridges -0.076
Solvation Hyd -4.767 Disulfide 0.000
VdW clashes 5.577 Electrost. Kon 0.246
Entropy sc 0.751 Part.cov.bonds 0.000
Entropy mc

2.600

 ΔGstability

12.435
       

Predicted ligand sequences for model [MYO3_1RUW-26.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).
 
  MYO3_1RUW-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DPADRRPPK 0.0
2 DPADRRFPK 0.01
3 DPARRRPPK 0.01
4 DPARRRFPK 0.02
5 DPADHRPPK 0.11
6 DGADRRPPK 0.11
7 DPARHRPPK 0.12
8 DPADPRPPK 0.12
9 DGARRRPPK 0.12
10 DGARRRFPK 0.13
11 DPARPRPPK 0.13
12 DPADHRFPK 0.13
13 DGADRRFPK 0.13
14 DPARHRFPK 0.14
15 DSARRRPPK 0.14
16 DPARPRFPK 0.14
17 DPADPRFPK 0.14
18 DSADRRPPK 0.14
19 DSADRRFPK 0.15
20 DSARRRFPK 0.16
21 DPADRRPEK 0.21
22 DPARRRPEK 0.21
23 DPADRRPRK 0.22
24 DPADRRFEK 0.22
25 DGADHRPPK 0.23
26 DPARRRFEK 0.23
27 DGARHRPPK 0.23
28 DGADPRPPK 0.23
29 DPARRRPRK 0.23
30 DPADRRFRK 0.24
31 DPARRRFRK 0.24
32 DGARPRPPK 0.24
33 DGADHRFPK 0.24
34 DSADHRPPK 0.25
35 DGARPRFPK 0.25
36 DGARHRFPK 0.25
37 DGADPRFPK 0.25
38 DSARHRPPK 0.26
39 DSADPRPPK 0.26
40 DSARPRPPK 0.26
41 DSADHRFPK 0.27
42 DSARHRFPK 0.27
43 DSADPRFPK 0.27
44 DSARPRFPK 0.28
45 DGARRRPEK 0.32
46 DPADHRPEK 0.32
47 DGADRRPEK 0.32
48 DPADHRFEK 0.33
49 DPADPRPEK 0.33
50 DPARHRPEK 0.33
51 DPARPRPEK 0.33
52 DGADRRFEK 0.33
53 DGADRRPRK 0.33
54 DSADRRPEK 0.34
55 DPADPRFEK 0.34
56 DPADPRPRK 0.34
57 DGARRRPRK 0.34
58 DPARHRFEK 0.34
59 DPARHRPRK 0.34
60 DGARRRFEK 0.34
61 DPADHRPRK 0.34
62 DSARRRPEK 0.35
63 DGARRRFRK 0.35
64 DPADHRFRK 0.35
65 DGADRRFRK 0.35
66 DPARPRFEK 0.35
67 KPADRRPPK 0.35
68 DPADRRHPK 0.35
69 DPARPRPRK 0.35
70 DSADRRFEK 0.36
71 DSADRRPRK 0.36
72 DSARRRFEK 0.36
73 KPARRRPPK 0.36
74 DPARRRHPK 0.36
75 DPARHRFRK 0.36
76 DPADPRFRK 0.36
77 DPARPRFRK 0.36
78 KPARRRFPK 0.37
79 DSARRRPRK 0.37
80 KPADRRFPK 0.37
81 DSARRRFRK 0.38
82 DSADRRFRK 0.38
83 EPADRRPPK 0.43
84 DPAFRRPPK 0.43
85 DGADHRPEK 0.43
86 DGARHRPEK 0.44
87 DGADPRPEK 0.44
88 DPAFRRFPK 0.44
89 DGARPRPEK 0.44
90 EPARRRPPK 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DPARRRPEK

1.92

-5.05

-3.13
2 DPARHRFPK

1.79

-4.67

-2.88
3 DGARRRPPK

1.92

-4.76

-2.84
4 DPARRRPRK

2.45

-5.18

-2.73
5 DGARHRPPK

1.75

-4.42

-2.67
6 DPARRRPPK

1.95

-4.56

-2.61
7 DPARPRPPK

2.23

-4.81

-2.58
8 DPARHRPPK

1.66

-4.22

-2.56
9 DSARRRPPK

2.16

-4.67

-2.51
10 DPARRRFPK

2.35

-4.74

-2.39
11 DPADRRFEK

1.9

-3.83

-1.93
12 DPARRRFEK

2.51

-4.4

-1.89
13 DGADRRPPK

2.04

-3.87

-1.83
14 DPARPRFPK

2.34

-4.15

-1.81
15 DPADHRPPK

2.16

-3.88

-1.72
16 DPADRRPPK

2.49

-4.12

-1.63
17 DPADPRPPK

2.38

-3.9

-1.52
18 DSADRRFPK

2.09

-3.61

-1.52
19 DPADHRFPK

2.27

-3.77

-1.5
20 DGADPRPPK

2.22

-3.67

-1.45
21 DGADHRPPK

2.59

-4.0

-1.41
22 DGARRRFPK

2.27

-3.64

-1.37
23 DSADRRPPK

2.45

-3.8

-1.35
24 DPADRRPRK

2.35

-3.68

-1.33
25 DPADPRFPK

2.38

-3.64

-1.26
26 DPADRRFPK

2.41

-3.67

-1.26
27 DSARRRFPK

2.37

-3.62

-1.25
28 DGADRRFPK

2.01

-3.09

-1.08
29 DPADRRFRK

2.43

-3.14

-0.71
30 DPADRRPEK

3.36

-4.06

-0.7

 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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