Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-27.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 0.140 ΔGbinding -3.746
TOTAL
 -3.606
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.487 Torsional clash 0.185
Van der Waals -4.125 Backbone clash 0.052
Electrostatics -0.188 Helix dipole 0.000
Solvation Polar 4.661 Water bridges 0.000
Solvation Hyd -5.294 Disulfide 0.000
VdW clashes 0.928 Electrost. Kon -0.269
Entropy sc 0.735 Part.cov.bonds 0.000
Entropy mc

2.631

 ΔGstability

5.954
       

Predicted ligand sequences for model [MYO3_1YP5-27.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_1YP5-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 WDPRWDPRR 0.0
2 WDPRWDPRK 0.01
3 WDPRWDWRR 0.03
4 WDPRWDWRK 0.05
5 WDWRWDPRR 0.05
6 WDWRWDPRK 0.07
7 WDWRWDWRR 0.08
8 WDWRWDWRK 0.1
9 WDPRWDFRR 0.11
10 WDPRWRPRR 0.12
11 WDKRWDPRR 0.12
12 WDPRWPPRR 0.12
13 WDPRWDFRK 0.12
14 WDPRWRPRK 0.13
15 WDPRWPPRK 0.13
16 WDKRWDPRK 0.14
17 WDPRWPWRR 0.15
18 WNPRWDPRR 0.15
19 WDKRWDWRR 0.15
20 WDPRWRWRR 0.15
21 WDPRWDPRW 0.15
22 WRPRWDPRR 0.15
23 WNPRWDPRK 0.16
24 WDWRWDFRR 0.16
25 WDWRWPPRR 0.17
26 WDPRWPWRK 0.17
27 WDKRWDWRK 0.17
28 WDPRWRWRK 0.17
29 WDWRWRPRR 0.17
30 WRPRWDPRK 0.17
31 WDWRWPPRK 0.18
32 WRPRWDWRR 0.18
33 WDWRWDFRK 0.18
34 WDPRWDWRW 0.18
35 WNPRWDWRR 0.18
36 WDWRWRPRK 0.18
37 WDPKWDPRR 0.18
38 WDPRPDPRR 0.19
39 WDPKWDPRK 0.19
40 WRWRWDPRR 0.2
41 WRPRWDWRK 0.2
42 WDWRWPWRR 0.2
43 WNPRWDWRK 0.2
44 WDWRWDPRW 0.2
45 WDWRWRWRR 0.2
46 WNWRWDPRR 0.2
47 WDPRPDPRK 0.21
48 WDPKWDWRR 0.21
49 WNWRWDPRK 0.21
50 WRWRWDPRK 0.22
51 WDWRWPWRK 0.22
52 WDWRWRWRK 0.22
53 WDPKWDWRK 0.23
54 WDKRWDFRR 0.23
55 WDPRWRFRR 0.23
56 WDPRPDWRR 0.23
57 WDWKWDPRR 0.23
58 WDWRWDWRW 0.23
59 WNWRWDWRR 0.23
60 WDPRWPFRR 0.23
61 WDKRWDFRK 0.24
62 WDPRWRFRK 0.24
63 WDPRPDWRK 0.24
64 WDKRWPPRR 0.24
65 WRWRWDWRR 0.24
66 WDWKWDPRK 0.24
67 WDKRWRPRR 0.24
68 WDWRPDPRR 0.24
69 WDPRWPFRK 0.24
70 WDKRWPPRK 0.25
71 WRWRWDWRK 0.25
72 WDKRWRPRK 0.25
73 WNWRWDWRK 0.25
74 WNPRWPPRR 0.26
75 WDPRWRPRW 0.26
76 WDPRWPPRW 0.26
77 WDPRWDFRW 0.26
78 WDWRPDPRK 0.26
79 WNPRWDFRR 0.26
80 WRPRWDFRR 0.26
81 WNPRWRPRR 0.26
82 WDWKWDWRR 0.26
83 WRPRWPPRR 0.27
84 WDKRWPWRR 0.27
85 WDKRWDPRW 0.27
86 WDKRWRWRR 0.27
87 WRKRWDPRR 0.27
88 WNPRWDFRK 0.27
89 WRPRWRPRR 0.27
90 WNKRWDPRR 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WDKRWDPRR

2.39

-8.15

-5.76
2 WDWRWDPRR

2.58

-8.32

-5.74
3 WDPRWPPRK

2.96

-8.53

-5.57
4 WRPRWDPRK

3.07

-8.58

-5.51
5 WNPRWDPRK

3.2

-8.63

-5.43
6 WDPRWDPRR

3.02

-8.4

-5.38
7 WDPRWDPRK

3.22

-8.38

-5.16
8 WRPRWDPRR

3.01

-8.13

-5.12
9 WDWRWDPRK

2.19

-7.1

-4.91
10 WDWRWPPRR

2.6

-7.15

-4.55
11 WDKRWDPRK

2.38

-6.88

-4.5
12 WDPRWRPRR

3.09

-7.54

-4.45
13 WDWRWRPRR

2.52

-6.92

-4.4
14 WDPRWPPRR

3.03

-7.06

-4.03
15 WDPRWDPRW

2.86

-6.86

-4.0
16 WNPRWDPRR

2.76

-6.68

-3.92
17 WDPRWRWRK

4.22

-8.09

-3.87
18 WDPRWDWRK

4.47

-8.3

-3.83
19 WDPRWPWRK

4.29

-8.05

-3.76
20 WDKRWDWRK

3.98

-7.55

-3.57
21 WDPRWPWRR

4.34

-7.88

-3.54
22 WDPRWRPRK

3.15

-6.59

-3.44
23 WDWRWDFRR

3.33

-6.72

-3.39
24 WDPRWDFRR

3.89

-7.14

-3.25
25 WDPRWRWRR

4.53

-7.48

-2.95
26 WDWRWDWRR

3.96

-6.68

-2.72
27 WDWRWDWRK

4.02

-6.66

-2.64
28 WDPRWDFRK

4.18

-6.74

-2.56
29 WDKRWDWRR

3.84

-6.17

-2.33
30 WDPRWDWRR

4.01

-6.2

-2.19

 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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