Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-13.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 1.955 ΔGbinding -1.374
TOTAL
 0.581
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.860
Van der Waals -3.694 Backbone clash 0.170
Electrostatics 0.092 Helix dipole 0.000
Solvation Polar 4.061 Water bridges -0.011
Solvation Hyd -4.765 Disulfide 0.000
VdW clashes 0.335 Electrost. Kon 0.107
Entropy sc 0.597 Part.cov.bonds 0.000
Entropy mc

2.318

 ΔGstability

4.122
       

Predicted ligand sequences for model [MYO3_1VA7-13.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_1VA7-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPMFWRH 0.0
2 RKRMFWRH 0.05
3 RKKMFWRH 0.1
4 MKPMFWRH 0.12
5 MKRMFWRH 0.16
6 RFPMFWRH 0.2
7 MKKMFWRH 0.21
8 RLPMFWRH 0.25
9 RKPMFPRH 0.25
10 RFRMFWRH 0.25
11 RKPMFWRW 0.26
12 RKPMFWRR 0.27
13 RKRMFPRH 0.29
14 RFKMFWRH 0.3
15 RLRMFWRH 0.3
16 RKRMFWRW 0.31
17 MFPMFWRH 0.32
18 RKRMFWRR 0.32
19 RKKMFPRH 0.34
20 RLKMFWRH 0.35
21 MFRMFWRH 0.36
22 RKKMFWRW 0.36
23 MKPMFPRH 0.36
24 RKPMHWRH 0.36
25 MLPMFWRH 0.37
26 RKKMFWRR 0.37
27 MKPMFWRW 0.38
28 RKPMPWRH 0.39
29 MKPMFWRR 0.39
30 RKRMHWRH 0.4
31 MLRMFWRH 0.41
32 MFKMFWRH 0.41
33 MKRMFPRH 0.41
34 MKRMFWRW 0.42
35 MKRMFWRR 0.43
36 RKRMPWRH 0.44
37 RFPMFPRH 0.45
38 RKKMHWRH 0.45
39 MLKMFWRH 0.46
40 MKKMFPRH 0.46
41 MKPMHWRH 0.47
42 MKKMFWRW 0.47
43 RFPMFWRR 0.47
44 RFPMFWRW 0.47
45 MKKMFWRR 0.48
46 RKKMPWRH 0.49
47 RFRMFPRH 0.49
48 RLPMFPRH 0.5
49 RKPMFPRW 0.51
50 RFRMFWRW 0.51
51 MKPMPWRH 0.51
52 RLPMFWRR 0.52
53 RLPMFWRW 0.52
54 RKPMFPRR 0.52
55 RFRMFWRR 0.52
56 MKRMHWRH 0.52
57 RLRMFPRH 0.54
58 RFKMFPRH 0.55
59 MKRMPWRH 0.55
60 RKRMFPRW 0.55
61 RFKMFWRW 0.56
62 MFPMFPRH 0.56
63 RKRMFPRR 0.56
64 RFPMHWRH 0.56
65 RLRMFWRW 0.56
66 RFKMFWRR 0.57
67 MKKMHWRH 0.57
68 RLRMFWRR 0.57
69 MFPMFWRW 0.58
70 RLKMFPRH 0.59
71 MFPMFWRR 0.59
72 RKPMHPRH 0.6
73 MKKMPWRH 0.6
74 RKKMFPRW 0.6
75 RFPMPWRH 0.6
76 RFRMHWRH 0.61
77 RLKMFWRW 0.61
78 RKKMFPRR 0.61
79 RLPMHWRH 0.61
80 MLPMFPRH 0.61
81 MFRMFPRH 0.61
82 RLKMFWRR 0.62
83 MKPMFPRW 0.62
84 RKPMHWRW 0.62
85 MLPMFWRW 0.63
86 MFRMFWRW 0.63
87 MKPMFPRR 0.63
88 RKPMHWRR 0.63
89 MFRMFWRR 0.63
90 RFRMPWRH 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKKMFPRH

2.67

-11.17

-8.5
2 RKRMFPRH

2.88

-10.93

-8.05
3 RKKMFWRH

1.65

-9.39

-7.74
4 MKPMFPRH

2.4

-10.04

-7.64
5 RFPMFWRH

2.82

-10.16

-7.34
6 RKPMFPRH

2.84

-10.11

-7.27
7 RFKMFWRH

2.68

-9.92

-7.24
8 RKRMHWRH

2.81

-10.0

-7.19
9 RKKMFWRR

2.76

-9.76

-7.0
10 MKRMFWRH

2.59

-9.52

-6.93
11 RKPMHWRH

1.96

-8.87

-6.91
12 MKPMFWRH

2.4

-9.27

-6.87
13 MKKMFWRH

2.85

-9.7

-6.85
14 RLRMFWRH

3.01

-9.85

-6.84
15 MFPMFWRH

2.58

-9.42

-6.84
16 RKPMPWRH

2.86

-9.66

-6.8
17 RKPMFWRH

2.76

-9.53

-6.77
18 RKRMFWRH

2.88

-9.63

-6.75
19 RKPMFWRW

2.84

-9.54

-6.7
20 MLPMFWRH

2.87

-9.55

-6.68
21 MFRMFWRH

2.64

-9.32

-6.68
22 RKRMFWRR

2.77

-9.44

-6.67
23 RFRMFWRH

2.92

-9.48

-6.56
24 MKPMFWRW

2.53

-9.03

-6.5
25 RKKMFWRW

2.67

-9.13

-6.46
26 MKPMFWRR

2.79

-9.24

-6.45
27 RLPMFWRH

2.86

-9.3

-6.44
28 RKPMFWRR

2.66

-8.89

-6.23
29 RKRMFWRW

2.59

-8.75

-6.16
30 RLKMFWRH

2.95

-8.93

-5.98

 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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