Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-10.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.544 ΔGbinding 2.908
TOTAL
 6.452
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.389
Van der Waals -4.143 Backbone clash 2.626
Electrostatics 0.094 Helix dipole 0.000
Solvation Polar 4.699 Water bridges -0.012
Solvation Hyd -5.373 Disulfide 0.000
VdW clashes 5.314 Electrost. Kon 0.114
Entropy sc 0.721 Part.cov.bonds 0.000
Entropy mc

2.655

 ΔGstability

30.252
       

Predicted ligand sequences for model [MYO3_1ZUY-10.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-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHRHGWRP 0.0
2 RHRKGWRP 0.01
3 RHKHGWRP 0.02
4 RHKKGWRP 0.03
5 RHWHGWRP 0.07
6 RHWKGWRP 0.08
7 RHRHGWRW 0.1
8 RHRHGWRR 0.11
9 RHRKGWRW 0.11
10 RHRKGWRR 0.12
11 RHKHGWRW 0.12
12 RHKHGWRR 0.13
13 RHKKGWRW 0.13
14 RHRHGWHP 0.14
15 RHKKGWRR 0.14
16 RHRKGWHP 0.15
17 RHRHGPRP 0.15
18 RHKHGWHP 0.16
19 RHRKGPRP 0.16
20 RHWHGWRW 0.17
21 RHKKGWHP 0.17
22 RHWHGWRR 0.17
23 RHKHGPRP 0.17
24 RHKKGPRP 0.18
25 RHWKGWRW 0.18
26 RHWKGWRR 0.18
27 RHRHGWMP 0.2
28 RHWHGPRP 0.21
29 RHRKGWMP 0.21
30 RHWHGWHP 0.21
31 RHWKGPRP 0.22
32 RHWKGWHP 0.22
33 RHKHGWMP 0.22
34 RHRHGFRP 0.23
35 RHKKGWMP 0.23
36 RHRHGWHW 0.24
37 RHRKGWHW 0.25
38 RHRHGPRW 0.25
39 RHRHGPRR 0.25
40 RHKHGFRP 0.25
41 RHRHGWHR 0.25
42 RHRKGFRP 0.25
43 RSRHGWRP 0.25
44 RHKHGWHW 0.26
45 RHRKGWHR 0.26
46 RHWHGWMP 0.26
47 RHRKGPRW 0.26
48 RHRKGPRR 0.26
49 RHKHGWHR 0.27
50 RHKKGFRP 0.27
51 RHKKGWHW 0.27
52 RSKHGWRP 0.27
53 RHKHGPRW 0.27
54 RHKHGPRR 0.27
55 RSRKGWRP 0.27
56 RHWKGWMP 0.27
57 RHKKGPRW 0.28
58 RHKKGPRR 0.28
59 RHKKGWHR 0.28
60 RSKKGWRP 0.29
61 RHRHGPHP 0.29
62 RHRKGPHP 0.3
63 RHRHGWMR 0.3
64 RHRHGWMW 0.3
65 RHWHGFRP 0.3
66 RHWHGPRW 0.31
67 RHRKGWMW 0.31
68 RHRKGWMR 0.31
69 RHWHGWHR 0.31
70 RHWKGFRP 0.31
71 RHWHGWHW 0.31
72 RHKHGPHP 0.31
73 RSWHGWRP 0.32
74 RHWKGPRW 0.32
75 RHWKGWHW 0.32
76 RHKHGWMR 0.32
77 RHWKGWHR 0.32
78 RHWHGPRR 0.32
79 RHKHGWMW 0.32
80 RHKKGPHP 0.32
81 RHRHGFRW 0.33
82 RHWKGPRR 0.33
83 RHKKGWMR 0.33
84 RHKKGWMW 0.33
85 RSWKGWRP 0.33
86 RHRHGFRR 0.34
87 RHRHGPMP 0.34
88 RHRKGPMP 0.35
89 RHKHGFRW 0.35
90 RHRKGFRR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RHRKGWMP

2.52

-6.58

-4.06
2 RHKKGWRR

2.97

-6.58

-3.61
3 RHWKGWRW

2.5

-5.82

-3.32
4 RHRKGPRP

2.81

-5.81

-3.0
5 RHKKGPRP

2.74

-5.71

-2.97
6 RHKHGWHP

2.16

-4.96

-2.8
7 RHRKGWRR

3.25

-6.03

-2.78
8 RHRKGWRW

2.38

-5.04

-2.66
9 RHWKGWRP

2.58

-5.2

-2.62
10 RHRKGWHP

2.22

-4.73

-2.51
11 RHKKGWRW

2.75

-5.18

-2.43
12 RHWKGWRR

3.01

-5.38

-2.37
13 RHKKGWHP

2.57

-4.77

-2.2
14 RHRKGWRP

3.16

-5.32

-2.16
15 RHRHGWMP

2.49

-4.2

-1.71
16 RHKHGWRR

2.36

-3.68

-1.32
17 RHKHGPRP

2.6

-3.74

-1.14
18 RHKKGWRP

2.81

-3.92

-1.11
19 RHWHGWHP

2.06

-3.1

-1.04
20 RHRHGPRP

2.24

-3.21

-0.97
21 RHWHGWRW

2.38

-3.17

-0.79
22 RHRHGWRW

2.73

-3.47

-0.74
23 RHRHGWRP

2.3

-2.99

-0.69
24 RHWHGPRP

2.73

-3.38

-0.65
25 RHRHGWHP

2.2

-2.73

-0.53
26 RHRHGWRR

2.46

-2.97

-0.51
27 RHWHGWRP

2.52

-2.91

-0.39
28 RHKHGWRP

2.51

-2.81

-0.3
29 RHKHGWRW

2.67

-2.86

-0.19
30 RHWHGWRR

2.88

-3.05

-0.17

 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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