Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 0.217 ΔGbinding -0.495
TOTAL
 -0.278
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.655
Van der Waals -3.111 Backbone clash 0.013
Electrostatics 0.171 Helix dipole 0.000
Solvation Polar 3.535 Water bridges 0.000
Solvation Hyd -4.124 Disulfide 0.000
VdW clashes 0.001 Electrost. Kon 0.197
Entropy sc 0.404 Part.cov.bonds 0.000
Entropy mc

3.052

 ΔGstability

9.738
       

Predicted ligand sequences for model [MYO3_1YP5-11.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_1YP5-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YMPIPPR 0.0
2 YMWIPPR 0.01
3 YPPIPPR 0.03
4 YPWIPPR 0.05
5 YRPIPPR 0.11
6 YRWIPPR 0.12
7 YMPIPGR 0.12
8 YMWIPGR 0.14
9 YMPMPPR 0.14
10 YMWMPPR 0.16
11 YPPIPGR 0.16
12 YPWIPGR 0.17
13 YPPMPPR 0.18
14 YMFIPPR 0.19
15 YMPIPSR 0.19
16 YPWMPPR 0.19
17 YMPYPPR 0.21
18 YMWIPSR 0.21
19 YMWYPPR 0.23
20 YRPIPGR 0.23
21 YPFIPPR 0.23
22 YPPIPSR 0.23
23 YPWIPSR 0.24
24 YRWIPGR 0.24
25 YPPYPPR 0.25
26 YRPMPPR 0.25
27 YPWYPPR 0.26
28 YRWMPPR 0.27
29 YMPMPGR 0.27
30 YMWMPGR 0.28
31 YMPIHPR 0.29
32 YRPIPSR 0.3
33 YPPMPGR 0.3
34 YMWIHPR 0.3
35 YRFIPPR 0.3
36 YRWIPSR 0.31
37 YPPIHPR 0.32
38 YPWMPGR 0.32
39 YMFIPGR 0.32
40 YRPYPPR 0.32
41 YRWYPPR 0.33
42 YMPYPGR 0.34
43 YPWIHPR 0.34
44 YMPMPSR 0.34
45 YMFMPPR 0.34
46 YMWYPGR 0.35
47 YPFIPGR 0.35
48 YMWMPSR 0.35
49 YPPMPSR 0.37
50 YPFMPPR 0.37
51 YPPYPGR 0.37
52 YRPMPGR 0.38
53 YPWMPSR 0.38
54 YPWYPGR 0.39
55 YMFIPSR 0.39
56 YRWMPGR 0.39
57 YRPIHPR 0.4
58 YMPIHGR 0.41
59 YMPYPSR 0.41
60 YRWIHPR 0.41
61 YMFYPPR 0.41
62 RMPIPPR 0.42
63 YMWYPSR 0.42
64 YRFIPGR 0.42
65 YPFIPSR 0.42
66 YMPMHPR 0.43
67 YMWIHGR 0.43
68 RMWIPPR 0.44
69 YRFMPPR 0.44
70 YPPYPSR 0.44
71 YPFYPPR 0.44
72 YRPMPSR 0.45
73 YPPIHGR 0.45
74 YMWMHPR 0.45
75 YRPYPGR 0.45
76 YPWYPSR 0.45
77 YRWMPSR 0.46
78 YMFMPGR 0.46
79 RPPIPPR 0.46
80 YPWIHGR 0.46
81 YRWYPGR 0.46
82 YPPMHPR 0.47
83 RPWIPPR 0.47
84 YMFIHPR 0.48
85 YPWMHPR 0.48
86 YMPIHSR 0.48
87 YRFIPSR 0.49
88 YMWIHSR 0.49
89 YMPYHPR 0.5
90 YPFMPGR 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YMPMPGR

0.93

-9.02

-8.09
2 YPWYPPR

0.67

-8.73

-8.06
3 YMWMPPR

0.8

-8.75

-7.95
4 YMPMPPR

1.05

-8.96

-7.91
5 YPPYPPR

0.59

-8.46

-7.87
6 YPWMPPR

0.74

-8.61

-7.87
7 YMPYPPR

1.02

-8.84

-7.82
8 YMWYPPR

1.17

-8.59

-7.42
9 YMWMPGR

1.01

-8.23

-7.22
10 YPFIPPR

0.99

-8.16

-7.17
11 YPPIPPR

1.19

-8.15

-6.96
12 YPPMPPR

0.74

-7.6

-6.86
13 YRPMPPR

1.17

-7.96

-6.79
14 YPWIPGR

0.79

-7.57

-6.78
15 YMWIPGR

1.09

-7.74

-6.65
16 YMWIPPR

1.3

-7.81

-6.51
17 YMPIPPR

1.32

-7.81

-6.49
18 YRWIPPR

1.07

-7.44

-6.37
19 YMWIPSR

1.38

-7.7

-6.32
20 YMFIPPR

1.34

-7.64

-6.3
21 YPPIPGR

1.33

-7.63

-6.3
22 YPWIPPR

1.16

-7.46

-6.3
23 YMPIPGR

1.22

-7.42

-6.2
24 YRWIPGR

1.05

-7.25

-6.2
25 YMPIPSR

1.81

-7.73

-5.92
26 YRWMPPR

0.86

-6.75

-5.89
27 YRPIPPR

1.34

-7.05

-5.71
28 YPPIPSR

1.32

-6.2

-4.88
29 YPWIPSR

1.39

-6.0

-4.61
30 YRPIPGR

1.37

-5.53

-4.16

 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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