Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-27.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 G
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 3.018 ΔGbinding -3.051
TOTAL
 -0.033
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.222
Van der Waals -4.476 Backbone clash 0.046
Electrostatics -0.198 Helix dipole 0.000
Solvation Polar 5.599 Water bridges -0.000
Solvation Hyd -5.592 Disulfide 0.000
VdW clashes 2.312 Electrost. Kon -0.287
Entropy sc 1.130 Part.cov.bonds 0.000
Entropy mc

2.062

 ΔGstability

11.885
       

Predicted ligand sequences for model [MYO3_1R6S-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRYPPFWR 0.0
2 RRRYWPFWR 0.0
3 RGRYWPFWR 0.02
4 RRRYWDFWR 0.03
5 RRRYPPFWP 0.03
6 RGRYPPFWR 0.03
7 RRRYWPFWP 0.03
8 RRRYPDFWR 0.04
9 RGRYWPFWP 0.05
10 RGRYPPFWP 0.05
11 RRMYWPFWR 0.05
12 RGRYPDFWR 0.06
13 RRMYPPFWR 0.06
14 RRRYWDFWP 0.06
15 RGRYWDFWR 0.06
16 RRRYPDFWP 0.06
17 FRRYWPFWR 0.07
18 RRFYPPFWR 0.07
19 RRRYPPFWW 0.07
20 RRFYWPFWR 0.07
21 RRRYWPFWW 0.07
22 RRMYPPFWP 0.08
23 RGMYWPFWR 0.08
24 FRRYPPFWR 0.08
25 RRMYWPFWP 0.08
26 RGMYPPFWR 0.08
27 RGRYWPFWW 0.09
28 RRMYWDFWR 0.09
29 RGRYPDFWP 0.09
30 RGFYWPFWR 0.09
31 RRMYPDFWR 0.09
32 RGRYWDFWP 0.09
33 RRFYWDFWR 0.1
34 FRRYWPFWP 0.1
35 RRRYWDFWW 0.1
36 RGMYWPFWP 0.1
37 FGRYWPFWR 0.1
38 FRRYPPFWP 0.1
39 RRFYPPFWP 0.1
40 FGRYPPFWR 0.1
41 RGRYPPFWW 0.1
42 RRFYWPFWP 0.1
43 RGFYPPFWR 0.1
44 FRRYPDFWR 0.11
45 RRMYWDFWP 0.11
46 RRFYPDFWR 0.11
47 RGMYPDFWR 0.11
48 FRRYWDFWR 0.11
49 RGMYWDFWR 0.11
50 RGMYPPFWP 0.11
51 RRRYPDFWW 0.11
52 RGFYWPFWP 0.12
53 FGRYWPFWP 0.12
54 RRMYPDFWP 0.12
55 RRMYWPFWW 0.12
56 RGFYPPFWP 0.12
57 RRFYWDFWP 0.13
58 RGRYPDFWW 0.13
59 RRMYPPFWW 0.13
60 RGFYWDFWR 0.13
61 RRFYPDFWP 0.13
62 FGRYWDFWR 0.13
63 FGRYPDFWR 0.13
64 FGRYPPFWP 0.13
65 RGRYWDFWW 0.13
66 FRMYPPFWR 0.13
67 RGFYPDFWR 0.13
68 FRRYWDFWP 0.13
69 FRMYWPFWR 0.13
70 RNRYPPFWR 0.14
71 FRRYPDFWP 0.14
72 FRRYWPFWW 0.14
73 FRFYWPFWR 0.14
74 RGMYPDFWP 0.14
75 RRFYPPFWW 0.14
76 RRFYWPFWW 0.14
77 RNRYWPFWR 0.14
78 RGMYWDFWP 0.14
79 RGFYWDFWP 0.15
80 RGMYWPFWW 0.15
81 FRRYPPFWW 0.15
82 FRFYPPFWR 0.15
83 FGMYPPFWR 0.15
84 FRMYWPFWP 0.15
85 FGMYWPFWR 0.15
86 RGMYPPFWW 0.15
87 FGRYWDFWP 0.16
88 RRMYWDFWW 0.16
89 FGRYPDFWP 0.16
90 FRMYPDFWR 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRYPPFWR

5.4

-6.55

-1.15
2 RGRYPPFWR

4.07

-4.87

-0.8
3 RGMYPPFWR

4.46

-5.0

-0.54
4 RGRYWPFWW

4.26

-4.77

-0.51
5 RGRYPDFWP

4.26

-4.62

-0.36
6 FRRYWPFWR

4.92

-5.21

-0.29
7 RRMYWDFWR

5.25

-5.43

-0.18
8 RGRYPDFWR

4.82

-4.79

0.03
9 RGRYPPFWP

4.33

-4.21

0.12
10 RGRYWPFWR

5.06

-4.91

0.15
11 RRRYPPFWR

5.29

-5.14

0.15
12 RRRYWPFWP

4.91

-4.73

0.18
13 RGRYWPFWP

4.23

-4.01

0.22
14 RRRYPPFWW

5.49

-5.19

0.3
15 RGRYWDFWR

5.05

-4.68

0.37
16 RRRYPPFWP

5.2

-4.75

0.45
17 RRRYPDFWR

5.47

-4.83

0.64
18 RRRYWPFWR

5.55

-4.89

0.66
19 RGFYWPFWR

4.3

-3.48

0.82
20 RGMYWPFWR

4.96

-4.07

0.89
21 RRMYWPFWP

5.01

-4.03

0.98
22 RRRYWDFWR

5.55

-4.52

1.03
23 RRRYPDFWP

5.35

-4.31

1.04
24 RRMYPPFWP

5.27

-4.15

1.12
25 RRFYWPFWR

6.09

-4.93

1.16
26 RRFYPPFWR

5.49

-4.26

1.23
27 RRMYPPFWR

5.29

-3.84

1.45
28 RRRYWPFWW

5.44

-3.91

1.53
29 RRMYWPFWR

5.18

-3.6

1.58
30 RRRYWDFWP

5.37

-3.05

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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