Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-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 4.177 ΔGbinding 1.659
TOTAL
 5.836
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.125 Torsional clash 1.988
Van der Waals -4.186 Backbone clash 2.827
Electrostatics 0.116 Helix dipole 0.000
Solvation Polar 5.520 Water bridges 0.000
Solvation Hyd -5.284 Disulfide 0.000
VdW clashes 1.984 Electrost. Kon 0.164
Entropy sc 0.887 Part.cov.bonds 0.000
Entropy mc

4.758

 ΔGstability

13.033
       

Predicted ligand sequences for model [MYO3_1RUW-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_1RUW-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRWMPPWM 0.0
2 YRWMPLWM 0.02
3 YRPMPPWM 0.03
4 YRPMPLWM 0.05
5 YRFMPPWM 0.06
6 YRFMPLWM 0.08
7 YRWMWPWM 0.08
8 YRWMWLWM 0.1
9 YFWMPPWM 0.1
10 YRWMTPWM 0.1
11 YFWMPLWM 0.12
12 YRPMWPWM 0.12
13 YRWMTLWM 0.12
14 YFPMPPWM 0.13
15 YRPMTPWM 0.13
16 YRFMWPWM 0.14
17 YRWMPDWM 0.14
18 YRPMWLWM 0.14
19 YFPMPLWM 0.15
20 YRFMTPWM 0.15
21 YRPMTLWM 0.15
22 YRFMWLWM 0.16
23 YFFMPPWM 0.16
24 YRFMTLWM 0.17
25 YFWMWPWM 0.18
26 YRPMPDWM 0.18
27 YFFMPLWM 0.18
28 YLWMPPWM 0.19
29 YFWMTPWM 0.2
30 YFWMWLWM 0.2
31 YRFMPDWM 0.2
32 YLWMPLWM 0.21
33 YFWMTLWM 0.22
34 YFPMWPWM 0.22
35 YLPMPPWM 0.23
36 YRWMWDWM 0.23
37 YFPMTPWM 0.23
38 YFFMWPWM 0.24
39 YRWMTDWM 0.24
40 YFPMWLWM 0.24
41 YFWMPDWM 0.24
42 YLPMPLWM 0.25
43 YFFMTPWM 0.25
44 YLFMPPWM 0.25
45 YRWMPPWL 0.25
46 YFPMTLWM 0.25
47 YFFMWLWM 0.26
48 YRPMWDWM 0.26
49 YRWMPLWL 0.27
50 YLFMPLWM 0.27
51 YFFMTLWM 0.27
52 YRPMTDWM 0.28
53 YRFMWDWM 0.28
54 YLWMWPWM 0.28
55 YFPMPDWM 0.28
56 YLWMTPWM 0.29
57 YRPMPPWL 0.29
58 YLWMWLWM 0.3
59 YFFMPDWM 0.3
60 YRFMTDWM 0.3
61 YRPMPLWL 0.31
62 YLWMTLWM 0.31
63 YRFMPPWL 0.31
64 YLPMWPWM 0.31
65 YLPMTPWM 0.32
66 YRFMPLWL 0.33
67 YFWMWDWM 0.33
68 YRWMWPWL 0.33
69 YLFMWPWM 0.33
70 YLPMWLWM 0.33
71 YLWMPDWM 0.34
72 YLPMTLWM 0.34
73 YFWMTDWM 0.34
74 YLFMWLWM 0.35
75 YRWMWLWL 0.35
76 YFWMPPWL 0.35
77 YLFMTPWM 0.35
78 YRWMTPWL 0.35
79 YFPMWDWM 0.36
80 YLFMTLWM 0.37
81 YLPMPDWM 0.37
82 YFWMPLWL 0.37
83 YRPMWPWL 0.37
84 YRWMTLWL 0.37
85 YFFMWDWM 0.38
86 YFPMTDWM 0.38
87 YRPMTPWL 0.38
88 YFPMPPWL 0.39
89 YRFMWPWL 0.39
90 YRPMWLWL 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFFMPPWM

2.85

-9.11

-6.26
2 YFPMPLWM

2.79

-8.92

-6.13
3 YFWMPLWM

2.99

-8.97

-5.98
4 YLWMPPWM

3.3

-9.25

-5.95
5 YRFMPPWM

3.35

-9.26

-5.91
6 YFPMPPWM

2.96

-8.76

-5.8
7 YFWMPPWM

3.37

-8.94

-5.57
8 YRWMPPWM

2.69

-8.25

-5.56
9 YRPMPPWM

3.34

-8.86

-5.52
10 YRWMPDWM

2.93

-8.39

-5.46
11 YFFMPLWM

3.2

-8.6

-5.4
12 YRFMPLWM

2.99

-8.33

-5.34
13 YRPMWLWM

3.83

-9.14

-5.31
14 YRWMPLWM

3.09

-8.35

-5.26
15 YRPMPDWM

3.3

-8.05

-4.75
16 YRPMWPWM

3.73

-8.48

-4.75
17 YRPMPLWM

3.43

-8.11

-4.68
18 YRWMWPWM

3.49

-8.07

-4.58
19 YRFMTPWM

3.19

-7.36

-4.17
20 YRWMWLWM

3.56

-7.47

-3.91
21 YFWMWLWM

3.18

-7.0

-3.82
22 YRWMTPWM

2.9

-6.53

-3.63
23 YFWMTPWM

3.61

-7.16

-3.55
24 YRWMTLWM

3.25

-6.79

-3.54
25 YRPMTPWM

3.76

-6.94

-3.18
26 YFWMWPWM

3.53

-6.68

-3.15
27 YRFMTLWM

3.37

-6.4

-3.03
28 YRFMWLWM

4.06

-6.75

-2.69
29 YRFMWPWM

5.2

-7.58

-2.38
30 YRPMTLWM

3.83

-6.15

-2.32

 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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