Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_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    

(Help)

Intraclash 3.043 ΔGbinding -3.412
TOTAL
 -0.369
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.238
Van der Waals -4.481 Backbone clash 0.045
Electrostatics -0.212 Helix dipole 0.000
Solvation Polar 5.465 Water bridges 0.000
Solvation Hyd -5.601 Disulfide 0.000
VdW clashes 2.080 Electrost. Kon -0.311
Entropy sc 1.179 Part.cov.bonds 0.000
Entropy mc

2.056

 ΔGstability

10.606
       

Predicted ligand sequences for model [MYO5_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).
 
  MYO5_1R6S-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGWYPDPWR 0.0
2 RGWYPDPWP 0.01
3 RGWYPPPWR 0.01
4 RGWYWDPWR 0.01
5 RGWYPPPWP 0.02
6 RGWYWPPWR 0.02
7 RGWYWDPWP 0.02
8 RGWYWPPWP 0.03
9 RGWYPDPWW 0.06
10 RGWYWDPWW 0.06
11 RGWYPPPWW 0.07
12 RGWYWPPWW 0.07
13 RNWYPDPWR 0.12
14 RNWYWDPWR 0.13
15 RNWYPDPWP 0.13
16 RNWYPPPWR 0.13
17 RNWYWDPWP 0.14
18 RNWYWPPWR 0.14
19 RNWYPPPWP 0.14
20 RNWYWPPWP 0.15
21 RRWYPDPWR 0.15
22 RGWYPDWWR 0.15
23 RGWYPPWWR 0.16
24 RRWYWDPWR 0.16
25 RRWYPDPWP 0.16
26 RGWYWDWWR 0.16
27 RGWYPDWWP 0.16
28 RRWYPPPWR 0.16
29 RRWYPPPWP 0.17
30 RRWYWPPWR 0.17
31 RGWYWPWWR 0.17
32 RRWYWDPWP 0.17
33 RNWYPDPWW 0.17
34 RGWYWDWWP 0.17
35 RNWYWDPWW 0.18
36 RGWYPMPWR 0.18
37 RGWYPPWWP 0.18
38 RGWYWPWWP 0.18
39 RRWYWPPWP 0.18
40 RNWYPPPWW 0.18
41 RGWYWMPWR 0.19
42 RNWYWPPWW 0.19
43 RGWYPMPWP 0.2
44 RRWYPDPWW 0.2
45 RRWYPPPWW 0.21
46 RGWYWMPWP 0.21
47 RRWYWDPWW 0.21
48 RGWYWDWWW 0.21
49 RGWYPDWWW 0.21
50 RGWYPPWWW 0.22
51 RRWYWPPWW 0.22
52 RGWYWPWWW 0.23
53 RGWYPMPWW 0.24
54 RGWYPDFWR 0.24
55 RGWYWDFWR 0.25
56 RGWYWMPWW 0.25
57 RGWYPPFWR 0.26
58 RGWYWPFWR 0.26
59 RGWYPDFWP 0.26
60 RGWYPPFWP 0.27
61 RGWYWDFWP 0.27
62 RNWYPDWWR 0.27
63 RGWYWPFWP 0.28
64 RNWYPPWWR 0.28
65 RNWYWDWWR 0.28
66 RNWYPDWWP 0.28
67 RNWYWPWWR 0.29
68 RNWYPPWWP 0.29
69 RNWYWDWWP 0.29
70 RNWYPMPWR 0.3
71 RRWYPDWWR 0.3
72 RNWYWPWWP 0.3
73 RGWYPDFWW 0.3
74 RRWYPPWWR 0.31
75 RNWYWMPWR 0.31
76 RGWYPPFWW 0.31
77 RRWYPDWWP 0.31
78 RGWYWDFWW 0.31
79 RRWYWDWWR 0.31
80 RRWYPPWWP 0.32
81 RNWYPMPWP 0.32
82 RRWYWPWWR 0.32
83 RNWYWMPWP 0.32
84 RGWYWPFWW 0.32
85 RRWYWDWWP 0.32
86 RRWYWPWWP 0.33
87 RRWYPMPWR 0.33
88 RNWYWDWWW 0.33
89 RNWYPDWWW 0.33
90 RGWYWMWWR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGWYWPPWP

3.33

-6.75

-3.42
2 RGWYWPPWR

2.79

-5.84

-3.05
3 RGWYPDPWR

3.2

-6.23

-3.03
4 RGWYPDPWP

2.8

-5.74

-2.94
5 RGWYWDPWP

2.93

-5.82

-2.89
6 RRWYPPPWP

4.3

-7.18

-2.88
7 RGWYWDPWR

3.96

-6.77

-2.81
8 RGWYWPPWW

3.05

-5.81

-2.76
9 RGWYPDPWW

3.63

-6.37

-2.74
10 RGWYPPPWW

3.6

-6.34

-2.74
11 RNWYWPPWR

3.76

-6.38

-2.62
12 RGWYPPPWP

3.08

-5.59

-2.51
13 RRWYPDPWP

3.89

-6.29

-2.4
14 RNWYPPPWP

4.0

-6.37

-2.37
15 RGWYWDPWW

3.19

-5.41

-2.22
16 RRWYWPPWR

5.11

-7.32

-2.21
17 RRWYPPPWR

4.28

-6.49

-2.21
18 RGWYPPPWR

3.97

-5.74

-1.77
19 RNWYWDPWR

3.73

-5.48

-1.75
20 RNWYPDPWP

5.2

-6.89

-1.69
21 RRWYWDPWR

4.09

-5.6

-1.51
22 RNWYPDPWR

4.9

-6.32

-1.42
23 RNWYPPPWR

4.11

-5.46

-1.35
24 RNWYWDPWP

4.62

-5.97

-1.35
25 RRWYPDPWR

3.85

-5.1

-1.25
26 RNWYWPPWP

4.66

-5.66

-1.0
27 RGWYWDWWR

4.81

-5.58

-0.77
28 RGWYPDWWR

4.77

-5.54

-0.77
29 RGWYPDWWP

4.11

-4.65

-0.54
30 RGWYPPWWR

5.66

-5.9

-0.24

 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