Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-12.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 0.385 ΔGbinding -1.035
TOTAL
 -0.650
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.344
Van der Waals -1.941 Backbone clash 0.009
Electrostatics 0.060 Helix dipole 0.000
Solvation Polar 2.594 Water bridges 0.000
Solvation Hyd -2.434 Disulfide 0.000
VdW clashes 0.000 Electrost. Kon 0.067
Entropy sc 0.389 Part.cov.bonds 0.000
Entropy mc

1.160

 ΔGstability

1.906
       

Predicted ligand sequences for model [MYO5_1VA7-12.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_1VA7-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKIPPRWR 0.0
2 RKIPRRWR 0.02
3 RKIPDRWR 0.06
4 RKIPERWR 0.06
5 RKIPHRWR 0.14
6 RKIPPRWK 0.16
7 YKIPPRWR 0.17
8 RKIPRRWK 0.18
9 YKIPRRWR 0.19
10 RKIPDRWK 0.22
11 RKIPERWK 0.22
12 YKIPERWR 0.23
13 YKIPDRWR 0.23
14 RKIPHRWK 0.3
15 YKIPHRWR 0.31
16 RKIPPRWF 0.33
17 RKIPPRWH 0.33
18 YKIPPRWK 0.34
19 RKIPPRWW 0.34
20 RKIPRRWF 0.35
21 RKIPRRWH 0.35
22 YKIPRRWK 0.36
23 RKIPRRWW 0.36
24 RKIPDRWF 0.38
25 RKIPDRWH 0.38
26 YKIPDRWK 0.39
27 RKIPERWF 0.39
28 RKIPERWH 0.39
29 YKIPERWK 0.4
30 RKIPDRWW 0.4
31 RKIPERWW 0.4
32 KKIPPRWR 0.45
33 KKIPRRWR 0.47
34 YKIPHRWK 0.47
35 RKIPHRWH 0.47
36 RKIPHRWF 0.47
37 RKIPHRWW 0.48
38 KKIPDRWR 0.5
39 YKIPPRWF 0.5
40 YKIPPRWH 0.5
41 KKIPERWR 0.51
42 YKIPRRWH 0.52
43 YKIPRRWF 0.52
44 YKIPPRWW 0.52
45 YKIPRRWW 0.54
46 YKIPERWH 0.56
47 YKIPERWF 0.56
48 YKIPDRWH 0.56
49 YKIPDRWF 0.56
50 YKIPERWW 0.57
51 YKIPDRWW 0.57
52 RKIKPRWR 0.58
53 KKIPHRWR 0.58
54 RKIKRRWR 0.6
55 KKIPPRWK 0.61
56 KKIPRRWK 0.63
57 RKIKDRWR 0.63
58 RKIKERWR 0.64
59 YKIPHRWH 0.64
60 YKIPHRWF 0.64
61 YKIPHRWW 0.65
62 KKIPDRWK 0.67
63 KKIPERWK 0.67
64 RKIKHRWR 0.71
65 RKIKPRWK 0.74
66 YKIKPRWR 0.75
67 KKIPHRWK 0.75
68 RKIKRRWK 0.76
69 YKIKRRWR 0.77
70 KKIPPRWF 0.78
71 KKIPPRWH 0.78
72 KKIPPRWW 0.79
73 KKIPRRWF 0.8
74 KKIPRRWH 0.8
75 RKIKDRWK 0.8
76 RKIKERWK 0.8
77 KKIPRRWW 0.81
78 YKIKDRWR 0.81
79 YKIKERWR 0.81
80 KKIPDRWF 0.83
81 KKIPDRWH 0.83
82 KKIPERWF 0.83
83 KKIPERWH 0.83
84 KKIPDRWW 0.84
85 KKIPERWW 0.85
86 RKIKHRWK 0.88
87 YKIKHRWR 0.89
88 YKIKPRWK 0.91
89 RKIKPRWH 0.91
90 RKIKPRWF 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKIPPRWR

2.37

-7.34

-4.97
2 RKIPPRWK

2.19

-6.99

-4.8
3 RKIPERWH

2.18

-6.85

-4.67
4 YKIPDRWR

2.38

-6.95

-4.57
5 RKIPDRWR

2.4

-6.86

-4.46
6 RKIPDRWW

2.37

-6.83

-4.46
7 RKIPPRWW

2.07

-6.52

-4.45
8 YKIPERWR

2.35

-6.72

-4.37
9 RKIPDRWF

1.84

-6.16

-4.32
10 YKIPERWK

2.06

-6.35

-4.29
11 YKIPPRWK

1.74

-6.02

-4.28
12 RKIPPRWH

2.15

-6.34

-4.19
13 RKIPERWK

2.18

-6.31

-4.13
14 YKIPPRWR

2.16

-6.28

-4.12
15 RKIPPRWF

1.86

-5.98

-4.12
16 RKIPRRWK

2.23

-6.33

-4.1
17 RKIPRRWF

1.68

-5.72

-4.04
18 YKIPRRWR

2.12

-6.14

-4.02
19 RKIPERWF

2.31

-6.29

-3.98
20 RKIPERWR

2.47

-6.38

-3.91
21 YKIPHRWR

2.17

-6.03

-3.86
22 YKIPRRWK

2.32

-6.17

-3.85
23 RKIPRRWH

2.18

-6.03

-3.85
24 RKIPHRWR

1.73

-5.52

-3.79
25 RKIPDRWH

1.89

-5.59

-3.7
26 RKIPRRWW

2.19

-5.83

-3.64
27 RKIPDRWK

1.72

-5.35

-3.63
28 RKIPRRWR

1.81

-5.35

-3.54
29 YKIPDRWK

2.61

-6.05

-3.44
30 RKIPHRWK

2.06

-5.39

-3.33

 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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