Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-17.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
poly-Ala
A
 A
A
 A
A
G
 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 1.640 ΔGbinding -2.032
TOTAL
 -0.392
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.239
Van der Waals -4.500 Backbone clash 0.038
Electrostatics 0.206 Helix dipole 0.000
Solvation Polar 4.782 Water bridges -0.042
Solvation Hyd -6.168 Disulfide 0.000
VdW clashes 0.376 Electrost. Kon 0.263
Entropy sc 0.632 Part.cov.bonds 0.000
Entropy mc

4.731

 ΔGstability

5.392
       

Predicted ligand sequences for model [MYO5_1RUW-17.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_1RUW-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDWMRGHMY 0.0
2 RDWRRGHMY 0.01
3 RDIRRGHMY 0.1
4 RDIMRGHMY 0.1
5 RDWIRGHMY 0.17
6 RDTRRGHMY 0.24
7 RDPRRGHMY 0.24
8 RDTMRGHMY 0.24
9 RDPMRGHMY 0.24
10 RDWKRGHMY 0.24
11 RDVMRGHMY 0.25
12 RDVRRGHMY 0.26
13 RDIIRGHMY 0.27
14 RDWRRGKMY 0.29
15 RDWMRGKMY 0.29
16 RDWRWGHMY 0.34
17 RDWMWGHMY 0.34
18 RDIKRGHMY 0.34
19 RDIRRGKMY 0.39
20 RDIMRGKMY 0.39
21 RDPIRGHMY 0.41
22 RDTIRGHMY 0.41
23 RDVIRGHMY 0.43
24 RDIRWGHMY 0.44
25 RDIMWGHMY 0.44
26 RDWIRGKMY 0.46
27 RDTKRGHMY 0.48
28 RDPKRGHMY 0.48
29 RDVKRGHMY 0.5
30 RRWMRGHMY 0.51
31 RRWRRGHMY 0.51
32 RDWIWGHMY 0.51
33 RDPMRGKMY 0.52
34 REWMRGHMY 0.52
35 RDTMRGKMY 0.52
36 RDWKRGKMY 0.53
37 REWRRGHMY 0.53
38 RDPRRGKMY 0.53
39 RDTRRGKMY 0.53
40 RDVMRGKMY 0.54
41 RDVRRGKMY 0.55
42 RDWMRGPMY 0.55
43 RDWRRGPMY 0.56
44 RDIIRGKMY 0.56
45 RDPMWGHMY 0.57
46 RDTMWGHMY 0.57
47 RDPRWGHMY 0.58
48 RDTRWGHMY 0.58
49 RDWKWGHMY 0.58
50 RDVMWGHMY 0.59
51 RDVRWGHMY 0.6
52 RRIMRGHMY 0.6
53 RRIRRGHMY 0.61
54 RDIIWGHMY 0.61
55 REIRRGHMY 0.62
56 REIMRGHMY 0.62
57 RDWMWGKMY 0.63
58 RDIKRGKMY 0.63
59 RDWRWGKMY 0.63
60 RDIMRGPMY 0.65
61 RDIRRGPMY 0.65
62 RRWIRGHMY 0.68
63 RDIKWGHMY 0.68
64 REWIRGHMY 0.69
65 RDPIRGKMY 0.7
66 RDTIRGKMY 0.7
67 RDVIRGKMY 0.71
68 RDWIRGPMY 0.72
69 RDIMWGKMY 0.72
70 RDIRWGKMY 0.73
71 RRTMRGHMY 0.74
72 RRPMRGHMY 0.74
73 RRWKRGHMY 0.75
74 RRPRRGHMY 0.75
75 RDPIWGHMY 0.75
76 RRTRRGHMY 0.75
77 RDTIWGHMY 0.75
78 RETMRGHMY 0.76
79 REPRRGHMY 0.76
80 REPMRGHMY 0.76
81 RRVMRGHMY 0.76
82 RETRRGHMY 0.76
83 RDTKRGKMY 0.77
84 RDPKRGKMY 0.77
85 RDVIWGHMY 0.77
86 RRVRRGHMY 0.77
87 REWKRGHMY 0.77
88 REVMRGHMY 0.78
89 REVRRGHMY 0.78
90 RRIIRGHMY 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDTMRGHMY

2.53

-11.46

-8.93
2 RRWMRGHMY

2.65

-10.21

-7.56
3 RDTKRGHMY

2.73

-10.18

-7.45
4 RDPMRGHMY

2.41

-9.84

-7.43
5 RDVKRGHMY

2.49

-9.68

-7.19
6 RDIKRGHMY

2.32

-9.5

-7.18
7 RDVMRGHMY

2.2

-9.1

-6.9
8 RDIMRGHMY

2.67

-9.49

-6.82
9 RDWMRGKMY

2.54

-9.32

-6.78
10 RDIMRGKMY

2.42

-9.18

-6.76
11 RDIMWGHMY

2.76

-9.1

-6.34
12 RDPRRGHMY

3.7

-9.89

-6.19
13 RDIRRGHMY

2.46

-8.47

-6.01
14 RDWKRGHMY

2.68

-8.63

-5.95
15 RDPKRGHMY

2.71

-8.3

-5.59
16 RDTIRGHMY

2.58

-8.16

-5.58
17 RDWMWGHMY

2.65

-8.2

-5.55
18 RDWRWGHMY

2.52

-7.94

-5.42
19 RDWMRGHMY

2.64

-8.04

-5.4
20 RDWIRGHMY

2.6

-7.94

-5.34
21 RDIRRGKMY

3.22

-8.54

-5.32
22 RDVRRGHMY

3.06

-7.73

-4.67
23 RDWRRGHMY

2.87

-7.46

-4.59
24 RDTRRGHMY

3.58

-7.88

-4.3
25 RDIRWGHMY

2.93

-7.21

-4.28
26 RDPIRGHMY

3.31

-7.41

-4.1
27 RDIIRGHMY

2.85

-6.78

-3.93
28 RDWIRGKMY

2.5

-6.39

-3.89
29 RDVIRGHMY

3.07

-6.27

-3.2
30 RDWRRGKMY

3.42

-6.39

-2.97

 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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