Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-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    

(Help)

Intraclash 1.483 ΔGbinding -1.616
TOTAL
 -0.133
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.343
Van der Waals -5.483 Backbone clash 0.262
Electrostatics -0.342 Helix dipole 0.000
Solvation Polar 5.790 Water bridges -0.000
Solvation Hyd -7.762 Disulfide 0.000
VdW clashes 3.902 Electrost. Kon -0.422
Entropy sc 0.986 Part.cov.bonds 0.000
Entropy mc

2.924

 ΔGstability

5.558
       

Predicted ligand sequences for model [MYO3_1RUW-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).
 
  MYO3_1RUW-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRNRHFWDHG 0.0
2 RRNRHFWPHG 0.07
3 RRRRHFWDHG 0.11
4 RRNRHFWDKG 0.12
5 RRFRHFWDHG 0.17
6 RRRRHFWPHG 0.18
7 RRNRHFWPKG 0.19
8 RRRRHFWDKG 0.23
9 RRNRHFWDPG 0.23
10 RRFRHFWPHG 0.24
11 RRFRHFWDKG 0.29
12 RRRRHFWPKG 0.3
13 RRNRHFWPPG 0.3
14 RRNRHFWDHF 0.32
15 RRRRHFWDPG 0.34
16 RRFRHFWPKG 0.36
17 RRNRHFFDHG 0.38
18 RRNRHFWPHF 0.39
19 RRFRHFWDPG 0.4
20 RRRRHFWPPG 0.42
21 RRRRHFWDHF 0.43
22 RRNRHFWHHG 0.43
23 RRNRHFWDKF 0.44
24 RRNRHFFPHG 0.45
25 RRNRHRWDHG 0.45
26 RRFRHFWPPG 0.48
27 RRRRHFFDHG 0.49
28 RRFRHFWDHF 0.49
29 RRNRHFFDKG 0.49
30 RRRRHFWPHF 0.51
31 RRNRHFWPKF 0.51
32 RRNRHRWPHG 0.53
33 RRRRHFWHHG 0.54
34 RRFRHFFDHG 0.55
35 RRRRHFWDKF 0.55
36 RRNRHFWDPF 0.55
37 RRNRHFWHKG 0.55
38 RRRRHFFPHG 0.56
39 RRFRHFWPHF 0.56
40 RRRRHRWDHG 0.56
41 RRNRHRWDKG 0.57
42 RRNRHFFPKG 0.57
43 RRFRHFWHHG 0.6
44 RRNRHFFDPG 0.61
45 RRRRHFFDKG 0.61
46 RRFRHFWDKF 0.61
47 RRRRHFWPKF 0.62
48 RRNRHFWPPF 0.62
49 RRFRHRWDHG 0.62
50 RRFRHFFPHG 0.62
51 RRRRHRWPHG 0.64
52 RRNRHRWPKG 0.64
53 RRRRHFWDPF 0.66
54 RRRRHFWHKG 0.66
55 RRNRHFWHPG 0.66
56 RRFRHFFDKG 0.67
57 RRRRHRWDKG 0.68
58 RRRRHFFPKG 0.68
59 RRFRHFWPKF 0.68
60 RRNRHFFPPG 0.68
61 RRNRHRWDPG 0.68
62 RRNRHFFDHF 0.7
63 RRFRHRWPHG 0.7
64 RRFRHFWHKG 0.72
65 RRRRHFFDPG 0.72
66 RRFRHFWDPF 0.72
67 RRRRHFWPPF 0.74
68 RRFRHFFPKG 0.74
69 RRFRHRWDKG 0.74
70 RRRRHRWPKG 0.75
71 RRNRHFWHHF 0.75
72 RRNRHRWPPG 0.76
73 RRRRHFWHPG 0.77
74 RRNRHFFPHF 0.77
75 RRNRHRWDHF 0.77
76 RRFRHFFDPG 0.78
77 RRRRHFFPPG 0.79
78 RRRRHRWDPG 0.8
79 RRFRHFWPPF 0.8
80 RRRRHFFDHF 0.81
81 RRFRHRWPKG 0.81
82 RRNRHFFHHG 0.81
83 RRNRHFFDKF 0.81
84 RRNRHRFDHG 0.83
85 RRFRHFWHPG 0.83
86 RRNRHRWPHF 0.84
87 RRFRHRWDPG 0.85
88 RRFRHFFPPG 0.85
89 RRRRHFWHHF 0.86
90 RRRRHRWPPG 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRRHFWPKG

3.61

-8.76

-5.15
2 RRFRHFWPPG

2.8

-7.74

-4.94
3 RRFRHFWDPG

3.65

-8.34

-4.69
4 RRFRHFWDKG

3.15

-7.75

-4.6
5 RRNRHFFPHG

2.66

-7.21

-4.55
6 RRNRHFWHHG

2.86

-7.09

-4.23
7 RRNRHFWPHG

3.5

-7.62

-4.12
8 RRFRHFWPHG

4.13

-8.19

-4.06
9 RRFRHFWDHG

2.51

-6.52

-4.01
10 RRRRHFWPPG

3.77

-7.77

-4.0
11 RRNRHRWDHG

2.77

-6.56

-3.79
12 RRRRHFWDHG

3.4

-7.15

-3.75
13 RRRRHFFDHG

3.63

-7.25

-3.62
14 RRRRHFWPHG

3.35

-6.97

-3.62
15 RRNRHFWDKG

4.51

-8.1

-3.59
16 RRNRHFWPKG

2.43

-5.77

-3.34
17 RRNRHFFDKG

3.93

-7.19

-3.26
18 RRRRHFWDKG

3.61

-6.82

-3.21
19 RRNRHFWDPG

3.8

-6.96

-3.16
20 RRRRHFWDPG

4.69

-7.6

-2.91
21 RRNRHFWDHG

3.54

-6.4

-2.86
22 RRNRHFWPPG

4.05

-6.91

-2.86
23 RRFRHFWPKG

3.46

-6.12

-2.66
24 RRNRHFFDHG

3.1

-5.33

-2.23
25 RRRRHFWPHF

5.16

-7.01

-1.85
26 RRFRHFWDHF

4.73

-6.52

-1.79
27 RRNRHFWDKF

3.25

-4.98

-1.73
28 RRRRHFWDHF

4.97

-6.58

-1.61
29 RRNRHFWDHF

4.6

-5.7

-1.1
30 RRNRHFWPHF

4.5

-5.3

-0.8

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER