Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-5.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 0.598 ΔGbinding -3.373
TOTAL
 -2.775
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.277
Van der Waals -5.287 Backbone clash 0.091
Electrostatics -0.326 Helix dipole 0.000
Solvation Polar 5.485 Water bridges -0.070
Solvation Hyd -7.600 Disulfide 0.000
VdW clashes 1.510 Electrost. Kon -0.436
Entropy sc 0.985 Part.cov.bonds 0.000
Entropy mc

3.638

 ΔGstability

5.159
       

Predicted ligand sequences for model [MYO5_1ZUY-5.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).
 
  MYO5_1ZUY-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKNRHFWPHF 0.0
2 RKRRHFWPHF 0.11
3 RKHRHFWPHF 0.16
4 RKNRHFWSHF 0.39
5 RKNRHFWPKF 0.39
6 RKNRHFWPHW 0.4
7 RKNRHFWPFF 0.4
8 RKNRHFWLHF 0.42
9 FKNRHFWPHF 0.42
10 IKNRHFWPHF 0.44
11 RKRRHFWSHF 0.49
12 RKRRHFWPKF 0.5
13 RKRRHFWPHW 0.51
14 RKRRHFWPFF 0.51
15 FKRRHFWPHF 0.53
16 RKRRHFWLHF 0.53
17 RKHRHFWSHF 0.54
18 RKHRHFWPKF 0.55
19 IKRRHFWPHF 0.55
20 RKHRHFWPFF 0.56
21 RKHRHFWPHW 0.56
22 FKHRHFWPHF 0.58
23 RKHRHFWLHF 0.58
24 IKHRHFWPHF 0.59
25 RKNRHFWSKF 0.78
26 RKNRHFWSFF 0.79
27 RKNRHFWSHW 0.79
28 RKNRHFWPKW 0.79
29 FKNRHFWPKF 0.81
30 RKNRHFWLKF 0.81
31 FKNRHFWSHF 0.81
32 RKNRHFWPFW 0.81
33 IKNRHFWSHF 0.82
34 RKNRHFWLHW 0.82
35 RKNRHFWLFF 0.82
36 FKNRHFWPFF 0.82
37 IKNRHFWPKF 0.83
38 FKNRHFWPHW 0.83
39 IKNRHFWPFF 0.84
40 FKNRHFWLHF 0.84
41 IKNRHFWPHW 0.84
42 IKNRHFWLHF 0.86
43 RKRRHFWSKF 0.89
44 RKRRHFWPKW 0.9
45 RKRRHFWSHW 0.9
46 RKRRHFWSFF 0.9
47 RKRRHFWPFW 0.91
48 FKRRHFWSHF 0.92
49 RKRRHFWLKF 0.92
50 FKRRHFWPKF 0.92
51 RKRRHFWLFF 0.93
52 FKRRHFWPHW 0.93
53 RKHRHFWSKF 0.93
54 FKRRHFWPFF 0.93
55 RKRRHFWLHW 0.93
56 IKRRHFWSHF 0.93
57 IKRRHFWPKF 0.94
58 RKHRHFWSHW 0.95
59 RKHRHFWPKW 0.95
60 RKHRHFWSFF 0.95
61 FKRRHFWLHF 0.95
62 IKRRHFWPFF 0.95
63 IKRRHFWPHW 0.95
64 RKHRHFWPFW 0.96
65 IKRRHFWLHF 0.97
66 FKHRHFWSHF 0.97
67 RKHRHFWLKF 0.97
68 FKHRHFWPKF 0.97
69 FKHRHFWPFF 0.98
70 RKHRHFWLFF 0.98
71 FKHRHFWPHW 0.98
72 RKHRHFWLHW 0.98
73 IKHRHFWPKF 0.98
74 IKHRHFWSHF 0.98
75 FKHRHFWLHF 1.0
76 IKHRHFWPFF 1.0
77 IKHRHFWPHW 1.0
78 IKHRHFWLHF 1.02
79 RKNRHFWSKW 1.18
80 RKNRHFWSFW 1.19
81 FKNRHFWSKF 1.2
82 FKNRHFWSFF 1.21
83 FKNRHFWSHW 1.21
84 RKNRHFWLKW 1.22
85 FKNRHFWPKW 1.22
86 IKNRHFWSKF 1.22
87 IKNRHFWSFF 1.23
88 IKNRHFWPKW 1.23
89 IKNRHFWSHW 1.23
90 RKNRHFWLFW 1.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IKRRHFWPHF

3.12

-8.32

-5.2
2 RKNRHFWPKF

3.29

-7.61

-4.32
3 IKHRHFWPHF

3.64

-7.94

-4.3
4 FKNRHFWPKF

3.28

-7.57

-4.29
5 IKNRHFWPHF

3.38

-7.51

-4.13
6 RKHRHFWPKF

3.73

-7.66

-3.93
7 FKHRHFWPHF

3.87

-7.57

-3.7
8 FKNRHFWPHF

4.2

-7.79

-3.59
9 FKRRHFWPHF

4.62

-8.15

-3.53
10 RKRRHFWPKF

3.79

-7.23

-3.44
11 RKRRHFWSHF

4.04

-7.37

-3.33
12 RKNRHFWPHF

3.91

-7.19

-3.28
13 RKNRHFWSKF

3.85

-7.13

-3.28
14 RKHRHFWPHF

3.91

-7.0

-3.09
15 RKHRHFWLHF

3.84

-6.92

-3.08
16 RKRRHFWLHF

3.94

-6.97

-3.03
17 RKNRHFWSHF

3.69

-6.64

-2.95
18 RKNRHFWLKF

3.95

-6.87

-2.92
19 RKNRHFWLHF

3.98

-6.84

-2.86
20 RKRRHFWPHF

4.16

-6.63

-2.47
21 RKRRHFWPHW

4.28

-6.5

-2.22
22 RKHRHFWSHF

4.58

-6.63

-2.05
23 RKNRHFWSHW

4.11

-5.88

-1.77
24 RKNRHFWPHW

4.17

-5.67

-1.5
25 RKNRHFWPKW

4.85

-6.26

-1.41
26 RKNRHFWSFF

4.35

-5.73

-1.38
27 RKHRHFWPHW

4.0

-5.31

-1.31
28 RKRRHFWPFF

8.34

-6.62

1.72
29 RKNRHFWPFF

3.73

-1.52

2.21
30 RKHRHFWPFF

4.84

21.74

26.58

 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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