Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-27.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
 G 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 0.233 ΔGbinding -4.005
TOTAL
 -3.772
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.216
Van der Waals -4.269 Backbone clash 0.042
Electrostatics -0.199 Helix dipole 0.000
Solvation Polar 4.905 Water bridges -0.026
Solvation Hyd -5.382 Disulfide 0.000
VdW clashes 0.785 Electrost. Kon -0.285
Entropy sc 1.118 Part.cov.bonds 0.000
Entropy mc

1.681

 ΔGstability

20.815
       

Predicted ligand sequences for model [MYO3_1ZUY-27.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_1ZUY-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGWHWPPRR 0.0
2 RGWHWDPRR 0.02
3 RGWHWPPRP 0.08
4 RGWHWPPRW 0.08
5 RGWHWDPRP 0.09
6 RGWHWDPRW 0.1
7 RNWHWPPRR 0.12
8 RNWHWDPRR 0.13
9 RGWHPPPRR 0.13
10 RGWHPDPRR 0.15
11 RGWHWRPRR 0.16
12 RDWHWPPRR 0.18
13 RGPHWPPRR 0.18
14 RGWHWPWRR 0.18
15 RNWHWPPRP 0.19
16 RNWHWPPRW 0.2
17 RDWHWDPRR 0.2
18 RGPHWDPRR 0.2
19 RGWHWDWRR 0.2
20 RNWHWDPRP 0.21
21 RNWHWDPRW 0.21
22 RGWHPPPRP 0.21
23 RGWHPPPRW 0.21
24 RGWHPDPRP 0.22
25 RGWHPDPRW 0.23
26 RGWHWRPRP 0.23
27 RGWHWRPRW 0.24
28 RNWHPPPRR 0.25
29 RDWHWPPRP 0.26
30 RGPHWPPRP 0.26
31 RGPHWPPRW 0.26
32 RGWHWPFRR 0.26
33 RNWHPDPRR 0.26
34 RGWHWPWRP 0.26
35 RGWHWPWRW 0.26
36 RDWHWPPRW 0.27
37 RNWHWRPRR 0.27
38 RGWHWDWRP 0.27
39 RDWHWDPRW 0.28
40 RGWHWDFRR 0.28
41 RDWHWDPRP 0.28
42 RGPHWDPRW 0.28
43 RGPHWDPRP 0.28
44 RGWHWDWRW 0.28
45 RGWHPRPRR 0.29
46 RNWHWPWRR 0.3
47 RNPHWPPRR 0.3
48 RNWHWDWRR 0.31
49 RGWHPPWRR 0.31
50 RGPHPPPRR 0.31
51 RNPHWDPRR 0.31
52 RNWHPPPRP 0.32
53 RDWHPPPRR 0.32
54 RNWHPPPRW 0.33
55 RGWHMPPRR 0.33
56 RGWHPDWRR 0.33
57 RDWHPDPRR 0.33
58 RGPHPDPRR 0.33
59 RGPHWRPRR 0.34
60 RNWHPDPRP 0.34
61 RNWHPDPRW 0.34
62 RGWHWPFRW 0.34
63 RGWHWPFRP 0.34
64 RGWHWRWRR 0.34
65 RDWHWRPRR 0.34
66 RGWHMDPRR 0.35
67 RGWHWDFRP 0.35
68 RNWHWRPRP 0.35
69 RNWHWRPRW 0.35
70 RGPHWPWRR 0.36
71 RGWHWDFRW 0.36
72 RGWHPRPRP 0.36
73 RNWHWPWRP 0.37
74 RNWHWPFRR 0.37
75 RDWHWPWRR 0.37
76 RDPHWPPRR 0.37
77 RGMHWPPRR 0.37
78 RGWHPRPRW 0.37
79 RGPHWDWRR 0.38
80 RDPHWDPRR 0.38
81 RNWHWPWRW 0.38
82 RDWHWDWRR 0.38
83 RNPHWPPRW 0.38
84 RNPHWPPRP 0.38
85 RNWHWDWRP 0.39
86 RNWHWDWRW 0.39
87 RGWHPPWRP 0.39
88 RGWHPPWRW 0.39
89 RGMHWDPRR 0.39
90 RGWHPPFRR 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGWHPPPRW

1.68

-8.64

-6.96
2 RGWHPDPRP

1.87

-8.79

-6.92
3 RGWHPPPRR

2.52

-9.18

-6.66
4 RGWHPDPRW

1.96

-8.62

-6.66
5 RGWHPDPRR

2.07

-8.46

-6.39
6 RGWHPPPRP

2.0

-8.05

-6.05
7 RGWHWPPRR

1.87

-7.91

-6.04
8 RGPHWPPRR

1.84

-7.63

-5.79
9 RGWHWPPRP

1.87

-7.56

-5.69
10 RGWHWRPRR

3.22

-8.73

-5.51
11 RDWHWPPRR

2.99

-8.41

-5.42
12 RGWHWDPRR

2.73

-8.1

-5.37
13 RGPHWDPRR

2.08

-7.43

-5.35
14 RGPHWPPRP

2.67

-7.94

-5.27
15 RGWHWPPRW

2.1

-7.28

-5.18
16 RNWHWPPRP

3.1

-8.24

-5.14
17 RGWHWDPRW

2.34

-7.37

-5.03
18 RGWHWDPRP

2.2

-7.22

-5.02
19 RNWHWDPRW

2.85

-7.83

-4.98
20 RNWHPPPRR

2.69

-7.48

-4.79
21 RNWHWPPRR

2.95

-7.66

-4.71
22 RNWHWDPRP

3.16

-7.83

-4.67
23 RDWHWDPRR

2.91

-7.5

-4.59
24 RGWHWRPRW

2.48

-7.06

-4.58
25 RGWHWPWRR

3.11

-7.58

-4.47
26 RDWHWPPRP

3.58

-8.0

-4.42
27 RGWHWRPRP

2.35

-6.76

-4.41
28 RNWHWDPRR

2.8

-7.15

-4.35
29 RNWHWPPRW

2.82

-7.14

-4.32
30 RGWHWDWRR

3.24

-7.37

-4.13

 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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