Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-23.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 0.266 ΔGbinding -0.372
TOTAL
 -0.106
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.257
Van der Waals -2.197 Backbone clash 0.002
Electrostatics -0.041 Helix dipole 0.000
Solvation Polar 2.723 Water bridges 0.000
Solvation Hyd -2.839 Disulfide 0.000
VdW clashes 0.601 Electrost. Kon -0.043
Entropy sc 0.543 Part.cov.bonds 0.000
Entropy mc

1.897

 ΔGstability

3.982
       

Predicted ligand sequences for model [MYO5_1VA7-23.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_1VA7-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLFPWH 0.0
2 RELFPWH 0.13
3 RRLFPWH 0.14
4 KPLFPWH 0.23
5 RPLFEWH 0.26
6 RPLYPWH 0.33
7 KELFPWH 0.36
8 KRLFPWH 0.37
9 RPIFPWH 0.38
10 RPLFRWH 0.38
11 RELFEWH 0.39
12 RRLFEWH 0.4
13 RELYPWH 0.46
14 RRLYPWH 0.47
15 KPLFEWH 0.48
16 YPLFPWH 0.48
17 REIFPWH 0.51
18 RELFRWH 0.51
19 RRIFPWH 0.52
20 RRLFRWH 0.52
21 KPLYPWH 0.56
22 RPLYEWH 0.59
23 KPIFPWH 0.6
24 KPLFRWH 0.61
25 YELFPWH 0.61
26 YRLFPWH 0.62
27 KELFEWH 0.62
28 KRLFEWH 0.62
29 RPIFEWH 0.63
30 KELYPWH 0.69
31 KRLYPWH 0.7
32 RPIYPWH 0.71
33 RPLYRWH 0.71
34 RELYEWH 0.72
35 KEIFPWH 0.73
36 RRLYEWH 0.73
37 YPLFEWH 0.74
38 KELFRWH 0.74
39 KRIFPWH 0.74
40 KRLFRWH 0.75
41 RPIFRWH 0.76
42 RRIFEWH 0.77
43 REIFEWH 0.77
44 YPLYPWH 0.81
45 KPLYEWH 0.81
46 RRIYPWH 0.84
47 REIYPWH 0.84
48 RELYRWH 0.84
49 RRLYRWH 0.85
50 YPIFPWH 0.85
51 KPIFEWH 0.86
52 YPLFRWH 0.86
53 YELFEWH 0.87
54 YRLFEWH 0.88
55 REIFRWH 0.89
56 RRIFRWH 0.9
57 KPIYPWH 0.93
58 YELYPWH 0.94
59 KPLYRWH 0.94
60 KRLYEWH 0.95
61 YRLYPWH 0.95
62 KELYEWH 0.95
63 RPIYEWH 0.96
64 KPIFRWH 0.98
65 YEIFPWH 0.98
66 KEIFEWH 0.99
67 YELFRWH 0.99
68 YRIFPWH 0.99
69 KRIFEWH 1.0
70 YRLFRWH 1.0
71 KEIYPWH 1.06
72 YPLYEWH 1.06
73 KELYRWH 1.07
74 KRIYPWH 1.07
75 RPIYRWH 1.08
76 KRLYRWH 1.08
77 REIYEWH 1.09
78 RRIYEWH 1.1
79 KEIFRWH 1.11
80 YPIFEWH 1.11
81 KRIFRWH 1.12
82 YPIYPWH 1.18
83 KPIYEWH 1.19
84 YPLYRWH 1.19
85 YELYEWH 1.2
86 YRLYEWH 1.2
87 RRIYRWH 1.22
88 REIYRWH 1.22
89 YPIFRWH 1.23
90 YEIFEWH 1.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRLFEWH

1.62

-6.53

-4.91
2 KPLFPWH

1.42

-6.32

-4.9
3 KPLFRWH

1.44

-6.28

-4.84
4 RRLFPWH

1.5

-6.05

-4.55
5 YELFPWH

2.03

-6.44

-4.41
6 KPLFEWH

2.09

-6.48

-4.39
7 RRLFRWH

1.57

-5.9

-4.33
8 RPLYPWH

1.98

-6.2

-4.22
9 RELYPWH

2.46

-6.44

-3.98
10 YPLFPWH

2.08

-6.05

-3.97
11 RELFRWH

2.15

-6.08

-3.93
12 KPIFPWH

1.44

-5.36

-3.92
13 KRLFPWH

2.17

-6.04

-3.87
14 KELYPWH

1.86

-5.69

-3.83
15 RPLFPWH

2.61

-6.3

-3.69
16 RPLFRWH

1.7

-5.28

-3.58
17 REIFPWH

2.14

-5.67

-3.53
18 YRLFPWH

2.79

-6.27

-3.48
19 KELFEWH

1.55

-4.86

-3.31
20 RPLFEWH

1.69

-4.99

-3.3
21 RRLYPWH

1.1

-4.34

-3.24
22 RRIFPWH

1.41

-4.62

-3.21
23 RELFEWH

3.01

-6.06

-3.05
24 RPIFPWH

1.59

-4.49

-2.9
25 RPLYEWH

1.8

-4.7

-2.9
26 KRLFEWH

2.18

-4.92

-2.74
27 RELFPWH

1.98

-4.67

-2.69
28 KELFPWH

2.3

-4.93

-2.63
29 KPLYPWH

1.43

-3.91

-2.48
30 RPIFEWH

3.26

-5.5

-2.24

 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.

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