Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-18.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 10
poly-Ala
A
 A
A
A
A
G
 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 1.756 ΔGbinding -0.141
TOTAL
 1.615
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.750
Van der Waals -3.619 Backbone clash 0.930
Electrostatics 0.113 Helix dipole 0.000
Solvation Polar 3.870 Water bridges -0.112
Solvation Hyd -4.885 Disulfide 0.000
VdW clashes 2.554 Electrost. Kon 0.148
Entropy sc 0.807 Part.cov.bonds 0.000
Entropy mc

2.784

 ΔGstability

10.394
       

Predicted ligand sequences for model [MYO3_1RUW-18.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_1RUW-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMPLHGVRWR 0.0
2 RMPLHGTRWR 0.04
3 RMPIHGVRWR 0.08
4 RKPLHGVRWR 0.08
5 RKPLHGTRWR 0.12
6 RMPIHGTRWR 0.12
7 RLPLHGVRWR 0.16
8 RKPIHGVRWR 0.16
9 RMPLHGHRWR 0.17
10 RKPIHGTRWR 0.2
11 RMFLHGVRWR 0.2
12 RLPLHGTRWR 0.2
13 WMPLHGVRWR 0.22
14 RMYLHGVRWR 0.23
15 RLPIHGVRWR 0.23
16 RMFLHGTRWR 0.24
17 RKPLHGHRWR 0.25
18 RMPIHGHRWR 0.25
19 WMPLHGTRWR 0.26
20 RLPIHGTRWR 0.27
21 RMYLHGTRWR 0.27
22 RMFIHGVRWR 0.28
23 RKFLHGVRWR 0.29
24 WMPIHGVRWR 0.3
25 RMYIHGVRWR 0.3
26 WKPLHGVRWR 0.3
27 RKYLHGVRWR 0.31
28 RMFIHGTRWR 0.32
29 RKFLHGTRWR 0.33
30 RLPLHGHRWR 0.33
31 RKPIHGHRWR 0.33
32 WMPIHGTRWR 0.34
33 WKPLHGTRWR 0.34
34 RMYIHGTRWR 0.34
35 RKYLHGTRWR 0.35
36 RKFIHGVRWR 0.36
37 RLFLHGVRWR 0.36
38 WLPLHGVRWR 0.38
39 RMPLHGVRFR 0.38
40 RMFLHGHRWR 0.38
41 WKPIHGVRWR 0.38
42 RKYIHGVRWR 0.39
43 RLYLHGVRWR 0.39
44 WMPLHGHRWR 0.39
45 RKFIHGTRWR 0.4
46 RLFLHGTRWR 0.4
47 RMYLHGHRWR 0.4
48 RLPIHGHRWR 0.41
49 WKPIHGTRWR 0.42
50 WLPLHGTRWR 0.42
51 RMPLHGTRFR 0.42
52 RKYIHGTRWR 0.43
53 RLYLHGTRWR 0.43
54 WMFLHGVRWR 0.43
55 RLFIHGVRWR 0.44
56 WMYLHGVRWR 0.45
57 RMFIHGHRWR 0.45
58 RMPIHGVRFR 0.45
59 RLYIHGVRWR 0.46
60 RKFLHGHRWR 0.46
61 WLPIHGVRWR 0.46
62 RKPLHGVRFR 0.46
63 WKPLHGHRWR 0.47
64 WMFLHGTRWR 0.47
65 RMYIHGHRWR 0.47
66 WMPIHGHRWR 0.47
67 RKYLHGHRWR 0.48
68 RLFIHGTRWR 0.48
69 RMPIHGTRFR 0.49
70 WMYLHGTRWR 0.49
71 RKPLHGTRFR 0.5
72 WLPIHGTRWR 0.5
73 RLYIHGTRWR 0.5
74 WMFIHGVRWR 0.5
75 WKFLHGVRWR 0.51
76 RLFLHGHRWR 0.53
77 WMYIHGVRWR 0.53
78 WKYLHGVRWR 0.53
79 WMFIHGTRWR 0.54
80 RLPLHGVRFR 0.54
81 RKFIHGHRWR 0.54
82 RKPIHGVRFR 0.54
83 WLPLHGHRWR 0.55
84 WKFLHGTRWR 0.55
85 WKPIHGHRWR 0.55
86 RMPLHGHRFR 0.55
87 RLYLHGHRWR 0.56
88 RKYIHGHRWR 0.56
89 WKYLHGTRWR 0.57
90 WMYIHGTRWR 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WMPLHGVRWR

1.5

-6.62

-5.12
2 RMPLHGHRWR

1.49

-6.42

-4.93
3 RMYLHGTRWR

1.91

-6.4

-4.49
4 RMPIHGHRWR

1.94

-6.2

-4.26
5 WMPLHGTRWR

1.74

-5.98

-4.24
6 RKPLHGHRWR

1.81

-6.04

-4.23
7 RMYLHGVRWR

2.01

-6.24

-4.23
8 WKPLHGVRWR

1.79

-5.98

-4.19
9 RKFLHGVRWR

1.84

-6.0

-4.16
10 RLPLHGHRWR

2.12

-6.28

-4.16
11 RLPLHGTRWR

1.96

-6.05

-4.09
12 RKPIHGTRWR

1.49

-5.58

-4.09
13 RMPIHGVRWR

1.44

-5.49

-4.05
14 RMPLHGVRWR

1.64

-5.66

-4.02
15 RMFLHGVRWR

2.09

-6.06

-3.97
16 RLPLHGVRWR

1.95

-5.84

-3.89
17 RMPLHGTRWR

1.81

-5.69

-3.88
18 RMFLHGTRWR

1.97

-5.85

-3.88
19 WMPIHGVRWR

1.41

-5.28

-3.87
20 RKPLHGTRWR

1.82

-5.68

-3.86
21 RMFIHGTRWR

2.25

-6.05

-3.8
22 RKFLHGTRWR

1.8

-5.58

-3.78
23 RMFIHGVRWR

2.04

-5.81

-3.77
24 RMYIHGVRWR

2.16

-5.87

-3.71
25 RLPIHGVRWR

1.88

-5.57

-3.69
26 RLPIHGTRWR

1.77

-5.41

-3.64
27 RKPIHGVRWR

1.97

-5.48

-3.51
28 RKPLHGVRWR

1.99

-5.39

-3.4
29 RMPIHGTRWR

1.94

-5.25

-3.31
30 RKYLHGVRWR

2.58

-5.72

-3.14

 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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