Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_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 0.259 ΔGbinding -0.686
TOTAL
 -0.427
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.272
Van der Waals -2.321 Backbone clash 0.003
Electrostatics -0.058 Helix dipole 0.000
Solvation Polar 2.739 Water bridges -0.000
Solvation Hyd -3.086 Disulfide 0.000
VdW clashes 0.590 Electrost. Kon -0.060
Entropy sc 0.541 Part.cov.bonds 0.000
Entropy mc

1.971

 ΔGstability

2.885
       

Predicted ligand sequences for model [MYO3_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).
 
  MYO3_1VA7-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLFPWH 0.0
2 RRLFPWH 0.14
3 YPLFPWH 0.14
4 RELFPWH 0.22
5 RPLFEWH 0.26
6 YRLFPWH 0.28
7 YELFPWH 0.35
8 RPLFRWH 0.39
9 YPLFEWH 0.4
10 KPLFPWH 0.4
11 RRLFEWH 0.4
12 RPLYPWH 0.46
13 RELFEWH 0.48
14 RPLFPWK 0.48
15 RRLFRWH 0.53
16 YPLFRWH 0.53
17 YRLFEWH 0.54
18 KRLFPWH 0.54
19 YPLYPWH 0.6
20 RRLYPWH 0.6
21 RELFRWH 0.6
22 YELFEWH 0.61
23 RRLFPWK 0.62
24 KELFPWH 0.62
25 YPLFPWK 0.62
26 KPLFEWH 0.66
27 YRLFRWH 0.67
28 RELYPWH 0.68
29 RELFPWK 0.7
30 RPLYEWH 0.72
31 RPLFEWK 0.74
32 YRLYPWH 0.74
33 YELFRWH 0.74
34 YRLFPWK 0.76
35 KPLFRWH 0.79
36 KRLFEWH 0.8
37 YELYPWH 0.82
38 YELFPWK 0.84
39 RPLYRWH 0.85
40 KPLYPWH 0.86
41 RRLYEWH 0.86
42 YPLYEWH 0.86
43 RPLFRWK 0.87
44 YPLFEWK 0.88
45 KELFEWH 0.88
46 KPLFPWK 0.89
47 RRLFEWK 0.89
48 KRLFRWH 0.93
49 RELYEWH 0.94
50 RPLYPWK 0.95
51 RELFEWK 0.96
52 YPLYRWH 0.99
53 RRLYRWH 0.99
54 YRLYEWH 1.0
55 RRLFRWK 1.01
56 KELFRWH 1.01
57 YPLFRWK 1.01
58 KRLYPWH 1.01
59 YRLFEWK 1.02
60 KRLFPWK 1.03
61 RELYRWH 1.07
62 YPLYPWK 1.08
63 KELYPWH 1.08
64 YELYEWH 1.08
65 RRLYPWK 1.09
66 RELFRWK 1.09
67 KELFPWK 1.1
68 YELFEWK 1.1
69 YRLYRWH 1.13
70 KPLYEWH 1.13
71 KPLFEWK 1.15
72 YRLFRWK 1.15
73 RELYPWK 1.16
74 YELYRWH 1.21
75 RPLYEWK 1.21
76 YRLYPWK 1.22
77 YELFRWK 1.23
78 KPLYRWH 1.25
79 KRLYEWH 1.27
80 KPLFRWK 1.27
81 KRLFEWK 1.29
82 YELYPWK 1.3
83 RPLYRWK 1.33
84 KELYEWH 1.34
85 YPLYEWK 1.34
86 KPLYPWK 1.35
87 RRLYEWK 1.35
88 KELFEWK 1.36
89 KRLYRWH 1.39
90 KRLFRWK 1.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KELFPWH

1.3

-6.96

-5.66
2 RELFPWK

2.31

-7.65

-5.34
3 YELFPWH

1.76

-6.93

-5.17
4 KRLFPWH

0.93

-6.05

-5.12
5 RRLFPWH

1.29

-6.25

-4.96
6 RELFRWH

2.02

-6.77

-4.75
7 YPLFPWH

2.01

-6.58

-4.57
8 RRLFEWH

2.03

-6.57

-4.54
9 RPLYEWH

1.35

-5.88

-4.53
10 RPLFPWH

2.24

-6.73

-4.49
11 RPLFPWK

1.63

-6.07

-4.44
12 YPLFPWK

1.49

-5.93

-4.44
13 RRLFPWK

1.82

-6.26

-4.44
14 YRLFRWH

1.79

-6.22

-4.43
15 YRLFPWH

1.97

-6.38

-4.41
16 KPLFPWH

0.96

-5.24

-4.28
17 RPLYPWH

1.75

-6.0

-4.25
18 YRLFEWH

1.89

-6.14

-4.25
19 RPLFRWH

1.18

-5.42

-4.24
20 RELFPWH

1.83

-5.92

-4.09
21 YELFEWH

2.16

-6.04

-3.88
22 RRLFRWH

2.14

-6.0

-3.86
23 YPLFEWH

1.69

-5.28

-3.59
24 RPLFEWH

1.49

-5.07

-3.58
25 RELYPWH

1.78

-5.35

-3.57
26 YPLFRWH

2.09

-5.61

-3.52
27 RELFEWH

1.75

-5.21

-3.46
28 RRLYPWH

1.02

-4.46

-3.44
29 KPLFEWH

2.14

-5.4

-3.26
30 YPLYPWH

1.53

-4.59

-3.06

 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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