Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1ZUY-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    

(Help)

Intraclash 0.186 ΔGbinding -4.395
TOTAL
 -4.209
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.222
Van der Waals -4.242 Backbone clash 0.050
Electrostatics -0.197 Helix dipole 0.000
Solvation Polar 4.716 Water bridges -0.020
Solvation Hyd -5.394 Disulfide 0.000
VdW clashes 0.558 Electrost. Kon -0.288
Entropy sc 1.122 Part.cov.bonds 0.000
Entropy mc

1.679

 ΔGstability

2.749
       

Predicted ligand sequences for model [MYO5_1ZUY-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).
 
  MYO5_1ZUY-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRWPPRR 0.0
2 RGWRWPPRR 0.0
3 RRWRWDPRR 0.03
4 RGWRWDPRR 0.03
5 RRWRWPPRW 0.08
6 RGWRWPPRW 0.08
7 RGWRWPPRP 0.09
8 RRWRWPPRP 0.1
9 RRWRWDPRW 0.11
10 RGWRWDPRW 0.11
11 RRWRWDPRP 0.12
12 RGWRWDPRP 0.12
13 RNWRWPPRR 0.12
14 RNWRWDPRR 0.15
15 RRWRWRPRR 0.17
16 RGWRWRPRR 0.17
17 RNWRWPPRW 0.2
18 RRWRWPWRR 0.21
19 RGWRWPWRR 0.21
20 RNWRWPPRP 0.21
21 RNWRWDPRW 0.23
22 RNWRWDPRP 0.24
23 RGWRWDWRR 0.24
24 RRWRWDWRR 0.24
25 RGWRWPFRR 0.25
26 RRWRWPFRR 0.25
27 RGWRWRPRW 0.25
28 RRWRWRPRW 0.26
29 RRWRWRPRP 0.27
30 RGWRWRPRP 0.27
31 RRWRWDFRR 0.28
32 RGWEWPPRR 0.28
33 RGWRWDFRR 0.28
34 RRWRWPWRW 0.29
35 RRWEWPPRR 0.29
36 RNWRWRPRR 0.29
37 RGWRWPWRW 0.29
38 RRWRWPWRP 0.3
39 RRPRWPPRR 0.3
40 RGWRWPWRP 0.3
41 RGPRWPPRR 0.3
42 RGERWPPRR 0.31
43 RGWEWDPRR 0.31
44 RRERWPPRR 0.31
45 RGWRWDWRW 0.32
46 RRWRWDWRW 0.32
47 RRWEWDPRR 0.32
48 RNWRWPWRR 0.33
49 RGWRWDWRP 0.33
50 RRWRWDWRP 0.33
51 RGWRWPFRW 0.33
52 RGPRWDPRR 0.33
53 RRPRWDPRR 0.33
54 RRWRWPFRW 0.33
55 RGERWDPRR 0.34
56 RGWRWPFRP 0.34
57 RRWRWPFRP 0.34
58 RRERWDPRR 0.34
59 RRWRWDFRW 0.36
60 RNWRWDWRR 0.36
61 RGWRWDFRW 0.36
62 RNWRWPFRR 0.36
63 RRWRWDFRP 0.37
64 RGWEWPPRW 0.37
65 RRWEWPPRW 0.37
66 RNWRWRPRW 0.37
67 RGWRWDFRP 0.37
68 RGWRWRWRR 0.38
69 RRWRWRWRR 0.38
70 RGWEWPPRP 0.38
71 RRWEWPPRP 0.38
72 RNWRWRPRP 0.38
73 RGERWPPRW 0.39
74 RRPRWPPRW 0.39
75 RNWRWDFRR 0.39
76 RRERWPPRW 0.39
77 RGPRWPPRW 0.39
78 RNWEWPPRR 0.4
79 RGERWPPRP 0.4
80 RRPRWPPRP 0.4
81 RGWEWDPRW 0.4
82 RRERWPPRP 0.4
83 RRWEWDPRW 0.4
84 RGPRWPPRP 0.4
85 RNWRWPWRW 0.41
86 RGWEWDPRP 0.41
87 RGPRWDPRW 0.41
88 RRWEWDPRP 0.41
89 RNERWPPRR 0.42
90 RNWRWPWRP 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGWRWRPRW

2.64

-8.31

-5.67
2 RGWRWDPRW

2.18

-7.61

-5.43
3 RGWRWDPRP

2.11

-7.52

-5.41
4 RGWRWDPRR

2.46

-7.84

-5.38
5 RGWRWPPRP

2.5

-7.83

-5.33
6 RGWRWPPRW

2.23

-7.43

-5.2
7 RGWRWRPRP

2.69

-7.85

-5.16
8 RGWRWPPRR

2.51

-7.58

-5.07
9 RRWRWPPRR

3.3

-8.37

-5.07
10 RGWRWRPRR

2.84

-7.46

-4.62
11 RRWRWRPRR

3.3

-7.89

-4.59
12 RNWRWPPRR

2.87

-7.34

-4.47
13 RNWRWPPRW

3.07

-7.53

-4.46
14 RNWRWPPRP

3.06

-7.43

-4.37
15 RNWRWDPRP

3.77

-8.13

-4.36
16 RGWRWPFRR

3.78

-8.03

-4.25
17 RRWRWPPRW

3.3

-7.54

-4.24
18 RNWRWDPRW

3.74

-7.95

-4.21
19 RRWRWPPRP

3.99

-8.14

-4.15
20 RNWRWDPRR

3.46

-7.47

-4.01
21 RRWRWRPRW

3.47

-7.43

-3.96
22 RRWRWRPRP

3.64

-7.57

-3.93
23 RRWRWDPRR

3.77

-7.68

-3.91
24 RGWRWPWRR

3.46

-7.05

-3.59
25 RRWRWDPRW

4.13

-7.68

-3.55
26 RGWRWDWRR

3.49

-6.93

-3.44
27 RRWRWDPRP

3.74

-7.12

-3.38
28 RRWRWDWRR

5.07

-8.38

-3.31
29 RRWRWPWRR

3.99

-6.98

-2.99
30 RRWRWPFRR

4.69

-7.17

-2.48

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER