Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-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 0.127 ΔGbinding -1.107
TOTAL
 -0.980
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.351
Van der Waals -1.893 Backbone clash 0.006
Electrostatics 0.062 Helix dipole 0.000
Solvation Polar 2.511 Water bridges 0.000
Solvation Hyd -2.382 Disulfide 0.000
VdW clashes 0.001 Electrost. Kon 0.076
Entropy sc 0.365 Part.cov.bonds 0.000
Entropy mc

1.077

 ΔGstability

7.514
       

Predicted ligand sequences for model [MYO3_1R6S-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).
 
  MYO3_1R6S-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRIPPKWR 0.0
2 YRIPPFWR 0.14
3 YRIPPKWK 0.15
4 KRIPPKWR 0.17
5 RRIPPKWR 0.17
6 YRIPDKWR 0.19
7 YRIPHKWR 0.26
8 YRIIPKWR 0.27
9 YRIPPKWH 0.27
10 YRIPPFWK 0.29
11 KRIPPKWK 0.31
12 RRIPPFWR 0.31
13 KRIPPFWR 0.31
14 RRIPPKWK 0.32
15 YRIPDFWR 0.33
16 YRIPDKWK 0.34
17 RRIPDKWR 0.36
18 KRIPDKWR 0.36
19 YRIPHKWK 0.4
20 YRIPHFWR 0.4
21 YRIKPKWR 0.41
22 YRIPPFWH 0.41
23 YRIIPKWK 0.42
24 YRIIPFWR 0.42
25 KRIPHKWR 0.43
26 RRIPHKWR 0.43
27 KRIPPKWH 0.44
28 RRIPPKWH 0.44
29 KRIIPKWR 0.44
30 RRIIPKWR 0.44
31 KRIPPFWK 0.45
32 YRIPDKWH 0.46
33 RRIPPFWK 0.46
34 YRIPPRWR 0.46
35 YRIIDKWR 0.47
36 YRIPDFWK 0.48
37 RRIPDFWR 0.5
38 KRIPDFWR 0.5
39 KRIPDKWK 0.51
40 RRIPDKWK 0.51
41 YRIIHKWR 0.53
42 YRIPHKWH 0.53
43 YRIIPKWH 0.54
44 YRIPHFWK 0.54
45 YRIKPFWR 0.55
46 YRIKPKWK 0.55
47 YRIIPFWK 0.56
48 RRIPHFWR 0.57
49 KRIPHFWR 0.57
50 KRIPHKWK 0.57
51 RRIPHKWK 0.57
52 RRIKPKWR 0.57
53 KRIKPKWR 0.57
54 RRIIPFWR 0.58
55 RRIPPFWH 0.58
56 KRIIPFWR 0.58
57 KRIPPFWH 0.58
58 KRIIPKWK 0.59
59 RRIIPKWK 0.59
60 YRIKDKWR 0.6
61 YRIPDFWH 0.6
62 YRIPPRWK 0.61
63 YRIIDKWK 0.61
64 YRIIDFWR 0.61
65 KRIPDKWH 0.63
66 KRIIDKWR 0.63
67 KRIPPRWR 0.63
68 RRIPPRWR 0.63
69 RRIPDKWH 0.63
70 RRIIDKWR 0.64
71 RRIPDFWK 0.65
72 KRIPDFWK 0.65
73 YRIPDRWR 0.65
74 YRIKHKWR 0.66
75 YRIPHFWH 0.67
76 YRIIHFWR 0.67
77 YRIIHKWK 0.68
78 YRIKPKWH 0.68
79 YRIKPFWK 0.69
80 YRIIPFWH 0.69
81 KRIPHKWH 0.7
82 RRIPHKWH 0.7
83 RRIIHKWR 0.7
84 KRIIHKWR 0.7
85 KRIPHFWK 0.71
86 KRIIPKWH 0.71
87 RRIPHFWK 0.71
88 RRIIPKWH 0.71
89 KRIKPFWR 0.71
90 YRIPHRWR 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRIPPFWR

2.6

-6.51

-3.91
2 YRIPHFWR

2.41

-6.21

-3.8
3 YRIIPFWR

2.93

-6.64

-3.71
4 YRIPPKWH

1.66

-5.36

-3.7
5 YRIPPFWK

1.67

-5.27

-3.6
6 RRIPPKWK

1.58

-5.14

-3.56
7 KRIPPKWR

1.73

-5.26

-3.53
8 YRIPPFWH

0.97

-4.42

-3.45
9 KRIPPKWK

1.86

-5.28

-3.42
10 YRIPHKWR

1.62

-5.0

-3.38
11 RRIPPKWR

1.26

-4.61

-3.35
12 YRIPPKWR

1.36

-4.69

-3.33
13 RRIPPKWH

1.21

-4.5

-3.29
14 RRIPPFWR

1.34

-4.57

-3.23
15 YRIPPKWK

1.18

-4.39

-3.21
16 YRIKPKWR

1.63

-4.83

-3.2
17 YRIPDKWR

2.02

-5.21

-3.19
18 KRIPPFWR

1.87

-5.03

-3.16
19 KRIPDKWR

1.38

-4.52

-3.14
20 YRIPDFWR

1.07

-4.19

-3.12
21 KRIPPKWH

2.01

-4.71

-2.7
22 RRIIPKWR

2.4

-5.01

-2.61
23 YRIIPKWK

2.32

-4.91

-2.59
24 YRIPHKWK

1.73

-4.31

-2.58
25 KRIIPKWR

2.31

-4.86

-2.55
26 YRIPDKWK

1.1

-3.65

-2.55
27 RRIPHKWR

1.29

-3.68

-2.39
28 KRIPHKWR

2.57

-4.95

-2.38
29 RRIPDKWR

1.52

-3.87

-2.35
30 YRIIPKWR

2.72

-4.89

-2.17

 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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