Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-9.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 3.584 ΔGbinding 1.002
TOTAL
 4.586
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 0.866
Van der Waals -3.959 Backbone clash 2.750
Electrostatics 0.149 Helix dipole 0.000
Solvation Polar 4.658 Water bridges 0.000
Solvation Hyd -5.022 Disulfide 0.000
VdW clashes 2.846 Electrost. Kon 0.203
Entropy sc 0.932 Part.cov.bonds 0.000
Entropy mc

4.654

 ΔGstability

28.109
       

Predicted ligand sequences for model [MYO3_1ZUY-9.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_1ZUY-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWIPPWL 0.0
2 RRPIPPWL 0.01
3 RRFIPPWL 0.05
4 RRWIPLWL 0.06
5 RRWIPPWS 0.06
6 RRPIPPWS 0.07
7 RRPIPLWL 0.08
8 RRFIPLWL 0.11
9 RRFIPPWS 0.11
10 RRWIPLWS 0.12
11 RRWIPPWI 0.13
12 RRWRPPWL 0.13
13 RRPRPPWL 0.14
14 RRPIPLWS 0.14
15 RRPIPPWI 0.14
16 RRWMPPWL 0.15
17 RRPMPPWL 0.16
18 RRWIPDWL 0.16
19 RRPIPDWL 0.17
20 RRFIPLWS 0.17
21 RRFRPPWL 0.18
22 RRFIPPWI 0.18
23 RRWIPLWI 0.19
24 RRWRPLWL 0.19
25 RRWRPPWS 0.19
26 RKWIPPWL 0.19
27 RRPRPPWS 0.2
28 YRWIPPWL 0.2
29 RRFMPPWL 0.2
30 RRFIPDWL 0.21
31 YRPIPPWL 0.21
32 RRWMPPWS 0.21
33 RRWMPLWL 0.21
34 RKPIPPWL 0.21
35 RRPRPLWL 0.21
36 RRPIPLWI 0.21
37 RRPMPPWS 0.22
38 RRPMPLWL 0.22
39 RRWIPDWS 0.22
40 RRPIPDWS 0.23
41 RKFIPPWL 0.24
42 RRFRPLWL 0.24
43 RRFRPPWS 0.24
44 RRFIPLWI 0.24
45 RRWRPLWS 0.25
46 RKWIPPWS 0.25
47 YRFIPPWL 0.25
48 RRWRPPWI 0.26
49 RKWIPLWL 0.26
50 RRFMPLWL 0.26
51 YRWIPPWS 0.26
52 YRWIPLWL 0.26
53 RRFMPPWS 0.26
54 RRFIPDWS 0.27
55 RKPIPLWL 0.27
56 RRWMPLWS 0.27
57 RRPRPPWI 0.27
58 RKPIPPWS 0.27
59 RRPRPLWS 0.27
60 RRPMPLWS 0.28
61 YRPIPPWS 0.28
62 YRPIPLWL 0.28
63 RRWMPPWI 0.28
64 RRWRPDWL 0.29
65 RRPMPPWI 0.29
66 RRWIPDWI 0.29
67 RKFIPLWL 0.3
68 RKFIPPWS 0.3
69 RRPIPDWI 0.3
70 RRWMPDWL 0.3
71 RRFRPLWS 0.3
72 RRPRPDWL 0.3
73 RRFRPPWI 0.31
74 YRFIPLWL 0.31
75 RRWIMPWL 0.31
76 YRFIPPWS 0.31
77 RFWIPPWL 0.31
78 RRFMPLWS 0.32
79 RKWRPPWL 0.32
80 RRWRPLWI 0.32
81 RKWIPLWS 0.32
82 RKWIPPWI 0.32
83 RRPMPDWL 0.32
84 RFPIPPWL 0.32
85 YRWRPPWL 0.33
86 RKPIPPWI 0.33
87 RRPRPLWI 0.33
88 RRPIMPWL 0.33
89 YRWIPPWI 0.33
90 RKPRPPWL 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRFIPLWL

2.44

-9.52

-7.08
2 RRWRPPWS

2.4

-9.42

-7.02
3 RRFIPPWI

2.33

-9.33

-7.0
4 RRPIPLWS

2.55

-8.76

-6.21
5 RRWIPLWL

3.01

-9.21

-6.2
6 RRPIPPWI

2.39

-8.48

-6.09
7 RRPMPPWL

2.51

-8.55

-6.04
8 RRFMPPWL

2.64

-8.55

-5.91
9 RRFIPPWS

2.53

-8.39

-5.86
10 RRFIPPWL

2.43

-8.2

-5.77
11 RRPIPPWS

2.45

-8.19

-5.74
12 RRWIPPWS

2.56

-8.2

-5.64
13 RRPIPPWL

2.53

-8.14

-5.61
14 RRWMPPWL

2.51

-8.06

-5.55
15 RRFIPLWS

2.33

-7.83

-5.5
16 RRWIPLWS

2.56

-8.04

-5.48
17 RRPIPLWL

2.63

-8.07

-5.44
18 RRFRPPWL

2.76

-8.2

-5.44
19 RKWIPPWL

2.63

-8.03

-5.4
20 YRWIPPWL

3.18

-8.51

-5.33
21 RRWIPPWI

2.67

-7.99

-5.32
22 RRWIPLWI

2.68

-7.98

-5.3
23 RRWIPPWL

2.92

-8.12

-5.2
24 RRFIPDWL

2.51

-7.55

-5.04
25 RRWIPDWL

2.39

-7.39

-5.0
26 RRPRPPWS

2.83

-7.8

-4.97
27 RRPIPDWL

2.55

-7.44

-4.89
28 RRWRPLWL

2.74

-7.59

-4.85
29 RRWRPPWL

2.81

-7.42

-4.61
30 RRPRPPWL

3.19

-7.37

-4.18

 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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