Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-4.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 0.284 ΔGbinding -4.977
TOTAL
 -4.693
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.704
Van der Waals -4.840 Backbone clash 0.071
Electrostatics -0.547 Helix dipole 0.000
Solvation Polar 5.545 Water bridges 0.000
Solvation Hyd -6.765 Disulfide 0.000
VdW clashes 1.584 Electrost. Kon -0.588
Entropy sc 0.954 Part.cov.bonds 0.000
Entropy mc

1.526

 ΔGstability

3.920
       

Predicted ligand sequences for model [MYO3_1YP5-4.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_1YP5-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPRRFRDMW 0.0
2 FPPRRFRDMH 0.02
3 FPPRRFRDPW 0.05
4 FPPRRFRDPH 0.07
5 FPPRRFRPMW 0.07
6 FPPRRFRPMH 0.09
7 FPPRRFRPPW 0.12
8 FIPRRFRDMW 0.13
9 FPPRRFRPPH 0.14
10 FIPRRFRDMH 0.15
11 FKPRRFRDMW 0.17
12 FIPRRFRDPW 0.18
13 FPRRRFRDMW 0.18
14 FPPRRFRRMW 0.18
15 FPPRRFRDRW 0.19
16 FKPRRFRDMH 0.19
17 FPPRMFRDMW 0.19
18 FIPRRFRDPH 0.2
19 FIPRRFRPMW 0.2
20 FPRRRFRDMH 0.2
21 FPPRRFRRMH 0.2
22 FPPRKFRDMW 0.2
23 FPPRRFRDRH 0.21
24 FPPRMFRDMH 0.21
25 FIPRRFRPMH 0.22
26 FKPRRFRDPW 0.22
27 FPPRKFRDMH 0.22
28 FPRRRFRDPW 0.23
29 FPPRRFRRPW 0.23
30 FKPRRFRDPH 0.24
31 FPPRMFRDPW 0.24
32 FKPRRFRPMW 0.24
33 FPKRRFRDMW 0.25
34 FPRRRFRDPH 0.25
35 FPPRRFRRPH 0.25
36 FIPRRFRPPW 0.25
37 FPRRRFRPMW 0.25
38 FPPRKFRDPW 0.26
39 FPPRMFRPMW 0.26
40 FPPRMFRDPH 0.26
41 FPPRRFRPRW 0.26
42 FKPRRFRPMH 0.26
43 FPKRRFRDMH 0.27
44 FPPKRFRDMW 0.27
45 FIPRRFRPPH 0.27
46 FPRRRFRPMH 0.27
47 FPPRKFRDPH 0.28
48 FPPRKFRPMW 0.28
49 FPPRMFRPMH 0.28
50 FPPRRFRPRH 0.28
51 FPPKRFRDMH 0.29
52 FPPRKFRPMH 0.3
53 FPRRRFRPPW 0.3
54 FKPRRFRPPW 0.3
55 FPKRRFRDPW 0.3
56 FIRRRFRDMW 0.31
57 FIPRRFRRMW 0.31
58 FPKRRFRPMW 0.32
59 FPPKRFRDPW 0.32
60 FIPRRFRDRW 0.32
61 FPPRMFRPPW 0.32
62 FPRRRFRPPH 0.32
63 FKPRRFRPPH 0.32
64 FIPRMFRDMW 0.32
65 FPKRRFRDPH 0.32
66 FIRRRFRDMH 0.33
67 FIPRRFRRMH 0.33
68 FPPRKFRPPW 0.33
69 FIPRKFRDMW 0.33
70 FPKRRFRPMH 0.34
71 FPPRMFRPPH 0.34
72 FPPKRFRDPH 0.34
73 FIPRRFRDRH 0.34
74 FPPKRFRPMW 0.34
75 FIPRMFRDMH 0.34
76 FPPRKFRPPH 0.35
77 FKRRRFRDMW 0.35
78 FIPRKFRDMH 0.35
79 FKPRRFRRMW 0.35
80 FPRRRFRRMW 0.36
81 FIPRRFRRPW 0.36
82 FPPKRFRPMH 0.36
83 FKPRMFRDMW 0.36
84 FKPRRFRDRW 0.36
85 FIRRRFRDPW 0.36
86 FIPRMFRDPW 0.37
87 FPRRRFRDRW 0.37
88 FKRRRFRDMH 0.37
89 FPKRRFRPPW 0.37
90 FPPRRFRRRW 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FKPRRFRDPH

2.07

-10.29

-8.22
2 FPPRRFRDPH

1.86

-9.88

-8.02
3 FPPRRFRDRH

2.18

-9.64

-7.46
4 FPPRRFRDPW

1.93

-9.1

-7.17
5 FPRRRFRDMH

2.39

-9.5

-7.11
6 FPPRRFRRMH

2.22

-9.21

-6.99
7 FPPRRFRPMH

1.86

-8.7

-6.84
8 FIPRRFRPMH

2.55

-9.26

-6.71
9 FIPRRFRDPH

2.39

-8.9

-6.51
10 FPPRRFRDMH

2.16

-8.49

-6.33
11 FPPRRFRPPW

1.43

-7.63

-6.2
12 FPPRRFRPPH

1.86

-8.06

-6.2
13 FPPRKFRDMH

2.23

-8.19

-5.96
14 FIPRRFRPMW

2.55

-8.5

-5.95
15 FPRRRFRDMW

2.31

-8.12

-5.81
16 FPPRRFRRMW

2.08

-7.85

-5.77
17 FPPRKFRDMW

2.21

-7.84

-5.63
18 FPRRRFRDPW

1.89

-7.5

-5.61
19 FIPRRFRDMH

2.53

-8.09

-5.56
20 FPPRMFRDMH

2.27

-7.82

-5.55
21 FKPRRFRDMH

2.5

-7.93

-5.43
22 FPPRRFRRPW

2.6

-7.96

-5.36
23 FPPRRFRDRW

1.94

-7.11

-5.17
24 FIPRRFRDMW

2.23

-7.37

-5.14
25 FIPRRFRDPW

2.15

-7.25

-5.1
26 FPPRRFRDMW

2.19

-7.2

-5.01
27 FPPRRFRPMW

3.3

-8.24

-4.94
28 FKPRRFRDPW

2.5

-7.43

-4.93
29 FPPRMFRDMW

2.28

-7.1

-4.82
30 FKPRRFRDMW

2.55

-5.99

-3.44

 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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