Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-4.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 0.278 ΔGbinding 0.295
TOTAL
 0.573
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.800
Van der Waals -5.091 Backbone clash 0.052
Electrostatics -0.311 Helix dipole 0.000
Solvation Polar 5.864 Water bridges 0.000
Solvation Hyd -7.111 Disulfide 0.000
VdW clashes 5.278 Electrost. Kon -0.378
Entropy sc 0.977 Part.cov.bonds 0.000
Entropy mc

2.817

 ΔGstability

7.059
       

Predicted ligand sequences for model [MYO3_1RUW-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRPRRFRPAW 0.0
2 FRPRRFRPAH 0.04
3 FRPRRFRDAW 0.07
4 FRPRRFRDAH 0.11
5 FRPRRFQPAW 0.13
6 FRPRMFRPAW 0.13
7 FRPRRFIPAW 0.14
8 FRPRMFRPAH 0.16
9 FRPRRFQPAH 0.17
10 FRPRRFIPAH 0.18
11 HRPRRFRPAW 0.18
12 FRPRKFRPAW 0.19
13 FRPRMFRDAW 0.2
14 FRPRRFRPAF 0.2
15 FRPRRFQDAW 0.2
16 FRPRRFIDAW 0.21
17 FRPRKFRPAH 0.22
18 HRPRRFRPAH 0.22
19 FRPRRFRRAW 0.22
20 FRPRMFRDAH 0.23
21 FRPRRFQDAH 0.24
22 HRPRRFRDAW 0.25
23 FRPRRFIDAH 0.25
24 FRPRRFRRAH 0.25
25 FRPRMFIPAW 0.26
26 FRPRMFQPAW 0.26
27 FRPRKFRDAW 0.26
28 FRPRRFRDAF 0.27
29 FRRRRFRPAW 0.29
30 HRPRRFRDAH 0.29
31 FRPRMFQPAH 0.29
32 FRPRKFRDAH 0.29
33 FRPRMFIPAH 0.3
34 HRPRRFQPAW 0.31
35 HRPRMFRPAW 0.31
36 HRPRRFIPAW 0.32
37 FRKRRFRPAW 0.32
38 FRPRKFQPAW 0.32
39 FRPRMFRPAF 0.32
40 FRRRRFRPAH 0.33
41 FRPRRFQPAF 0.33
42 FRPRMFQDAW 0.33
43 FRPRKFIPAW 0.33
44 FRPRMFRRAW 0.34
45 FRPRRFIPAF 0.34
46 FRPRMFIDAW 0.34
47 HRPRMFRPAH 0.34
48 HRPRRFQPAH 0.35
49 HRPRRFIPAH 0.35
50 FRKRRFRPAH 0.35
51 FRPRRFQRAW 0.35
52 FRPRRFIRAW 0.35
53 FRPRKFQPAH 0.35
54 FRRRRFRDAW 0.36
55 FRPRMFQDAH 0.36
56 FRPRKFIPAH 0.36
57 FRPRMFIDAH 0.37
58 HRPRKFRPAW 0.37
59 HRPRRFQDAW 0.38
60 FRPRMFRRAH 0.38
61 FRPRRFQRAH 0.38
62 HRPRMFRDAW 0.38
63 HRPRRFRPAF 0.38
64 FRPRKFRPAF 0.39
65 FRKRRFRDAW 0.39
66 HRPRRFIDAW 0.39
67 FRPRRFIRAH 0.39
68 FRPRKFQDAW 0.39
69 FRRRRFRDAH 0.4
70 FRPRMFRDAF 0.4
71 FRPRKFIDAW 0.4
72 FRPRKFRRAW 0.4
73 HRPRRFRRAW 0.4
74 HRPRKFRPAH 0.4
75 FRPRRFQDAF 0.4
76 HRPRMFRDAH 0.41
77 FRPRRFIDAF 0.41
78 HRPRRFQDAH 0.42
79 FRKRRFRDAH 0.42
80 FRRRMFRPAW 0.42
81 FRRRRFQPAW 0.42
82 FRPRRFRRAF 0.42
83 FRPRKFIDAH 0.43
84 HRPRRFIDAH 0.43
85 HRPRRFRRAH 0.43
86 FRRRRFIPAW 0.43
87 FRPRKFQDAH 0.43
88 HRPRMFIPAW 0.44
89 FRKRMFRPAW 0.44
90 FRPRKFRRAH 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRPRMFRDAH

2.06

-7.02

-4.96
2 FRRRRFRPAW

1.93

-6.77

-4.84
3 FRPRKFRPAW

2.16

-6.54

-4.38
4 FRPRMFRPAW

1.61

-5.98

-4.37
5 FRPRKFRPAH

2.24

-6.56

-4.32
6 FRPRMFRDAW

2.12

-6.35

-4.23
7 FRPRRFRPAH

1.7

-5.77

-4.07
8 FRPRKFRDAW

1.77

-5.6

-3.83
9 FRPRRFRDAF

2.09

-5.87

-3.78
10 HRPRRFRDAH

2.31

-6.02

-3.71
11 FRPRRFRDAH

2.18

-5.83

-3.65
12 FRPRRFRDAW

2.77

-6.36

-3.59
13 FRPRMFRPAH

2.11

-5.68

-3.57
14 FRPRRFIDAW

1.94

-5.38

-3.44
15 HRPRRFRPAW

1.85

-5.26

-3.41
16 FRPRRFQDAW

2.12

-5.46

-3.34
17 FRPRMFIPAW

1.75

-5.08

-3.33
18 FRPRRFRPAF

2.0

-5.28

-3.28
19 FRPRRFRPAW

2.04

-5.3

-3.26
20 HRPRRFRDAW

1.92

-5.14

-3.22
21 FRPRRFIPAW

2.0

-5.04

-3.04
22 HRPRRFRPAH

2.56

-5.45

-2.89
23 FRPRRFRRAW

2.39

-5.22

-2.83
24 FRPRRFRRAH

2.11

-4.68

-2.57
25 FRPRMFQPAW

2.97

-5.42

-2.45
26 FRPRRFIDAH

2.85

-5.13

-2.28
27 FRPRRFQDAH

2.02

-3.97

-1.95
28 FRPRRFQPAW

3.02

-4.73

-1.71
29 FRPRRFQPAH

2.35

-4.04

-1.69
30 FRPRRFIPAH

3.16

-4.77

-1.61

 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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