Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_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 1.479 ΔGbinding -0.293
TOTAL
 1.186
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.611
Van der Waals -3.714 Backbone clash 0.958
Electrostatics 0.108 Helix dipole 0.000
Solvation Polar 3.979 Water bridges -0.068
Solvation Hyd -5.023 Disulfide 0.000
VdW clashes 2.591 Electrost. Kon 0.145
Entropy sc 0.751 Part.cov.bonds 0.000
Entropy mc

2.876

 ΔGstability

4.919
       

Predicted ligand sequences for model [MYO5_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).
 
  MYO5_1RUW-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 YMPLHGIRWR 0.0
2 YKPLHGIRWR 0.04
3 YMPIHGIRWR 0.09
4 YKPIHGIRWR 0.12
5 YLPLHGIRWR 0.12
6 YFPLHGIRWR 0.15
7 YMFLHGIRWR 0.2
8 YLPIHGIRWR 0.21
9 YMLLHGIRWR 0.23
10 YFPIHGIRWR 0.23
11 YMYLHGIRWR 0.23
12 YKFLHGIRWR 0.24
13 YKLLHGIRWR 0.27
14 YKYLHGIRWR 0.27
15 YMFIHGIRWR 0.29
16 YMYIHGIRWR 0.31
17 YMLIHGIRWR 0.32
18 YLFLHGIRWR 0.33
19 YKFIHGIRWR 0.33
20 RMPLHGIRWR 0.33
21 YLLLHGIRWR 0.35
22 YFFLHGIRWR 0.35
23 YKYIHGIRWR 0.35
24 YLYLHGIRWR 0.35
25 YKLIHGIRWR 0.36
26 RKPLHGIRWR 0.37
27 YFYLHGIRWR 0.37
28 YFLLHGIRWR 0.38
29 YLFIHGIRWR 0.41
30 RMPIHGIRWR 0.42
31 YLYIHGIRWR 0.44
32 YLLIHGIRWR 0.44
33 YFFIHGIRWR 0.44
34 RKPIHGIRWR 0.45
35 YMPLHGIRFR 0.45
36 RLPLHGIRWR 0.45
37 YFLIHGIRWR 0.46
38 YFYIHGIRWR 0.46
39 RFPLHGIRWR 0.48
40 YKPLHGIRFR 0.49
41 RMFLHGIRWR 0.53
42 YMPIHGIRFR 0.54
43 RLPIHGIRWR 0.54
44 RMLLHGIRWR 0.56
45 RMYLHGIRWR 0.56
46 RFPIHGIRWR 0.56
47 RKFLHGIRWR 0.57
48 YKPIHGIRFR 0.58
49 YLPLHGIRFR 0.58
50 RKLLHGIRWR 0.6
51 YFPLHGIRFR 0.6
52 RKYLHGIRWR 0.6
53 RMFIHGIRWR 0.62
54 RMYIHGIRWR 0.64
55 RMLIHGIRWR 0.65
56 YLPIHGIRFR 0.66
57 RKFIHGIRWR 0.66
58 YMFLHGIRFR 0.66
59 RLFLHGIRWR 0.66
60 RFFLHGIRWR 0.68
61 RKYIHGIRWR 0.68
62 RLYLHGIRWR 0.68
63 YMYLHGIRFR 0.68
64 YFPIHGIRFR 0.69
65 YMLLHGIRFR 0.69
66 RKLIHGIRWR 0.69
67 RLLLHGIRWR 0.69
68 YKFLHGIRFR 0.7
69 RFYLHGIRWR 0.7
70 RFLLHGIRWR 0.71
71 YKYLHGIRFR 0.72
72 YKLLHGIRFR 0.73
73 YMFIHGIRFR 0.74
74 RLFIHGIRWR 0.74
75 YMLIHGIRFR 0.77
76 RLLIHGIRWR 0.77
77 RLYIHGIRWR 0.77
78 RFFIHGIRWR 0.77
79 YMYIHGIRFR 0.77
80 YLFLHGIRFR 0.78
81 YKFIHGIRFR 0.78
82 RMPLHGIRFR 0.78
83 RFLIHGIRWR 0.79
84 RFYIHGIRWR 0.79
85 YLYLHGIRFR 0.8
86 YFFLHGIRFR 0.8
87 YLLLHGIRFR 0.81
88 YKYIHGIRFR 0.81
89 YKLIHGIRFR 0.81
90 RKPLHGIRFR 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YKLIHGIRWR

1.65

-7.44

-5.79
2 YMFLHGIRWR

2.01

-7.55

-5.54
3 YKYIHGIRWR

1.71

-7.1

-5.39
4 YMYLHGIRWR

1.86

-7.25

-5.39
5 YMPLHGIRWR

1.7

-6.98

-5.28
6 YFYLHGIRWR

1.78

-6.83

-5.05
7 YLPIHGIRWR

2.2

-7.11

-4.91
8 YMPIHGIRWR

1.77

-6.67

-4.9
9 YKFIHGIRWR

1.66

-6.47

-4.81
10 YFPLHGIRWR

2.0

-6.78

-4.78
11 YKYLHGIRWR

1.82

-6.46

-4.64
12 YMLLHGIRWR

2.06

-6.69

-4.63
13 YKLLHGIRWR

2.42

-7.0

-4.58
14 YLFLHGIRWR

2.18

-6.74

-4.56
15 YLPLHGIRWR

2.28

-6.83

-4.55
16 YLFIHGIRWR

2.04

-6.43

-4.39
17 YKFLHGIRWR

2.01

-6.31

-4.3
18 YLLLHGIRWR

1.92

-6.19

-4.27
19 RKPLHGIRWR

2.0

-6.27

-4.27
20 YKPIHGIRWR

1.72

-5.97

-4.25
21 RMPLHGIRWR

1.66

-5.83

-4.17
22 YMYIHGIRWR

1.96

-6.03

-4.07
23 YLYLHGIRWR

2.15

-6.19

-4.04
24 YFPIHGIRWR

2.07

-6.04

-3.97
25 YMFIHGIRWR

2.09

-6.01

-3.92
26 YFLLHGIRWR

2.48

-6.3

-3.82
27 YFFLHGIRWR

2.63

-6.44

-3.81
28 YMLIHGIRWR

2.22

-5.96

-3.74
29 RMPIHGIRWR

1.97

-5.41

-3.44
30 YKPLHGIRWR

2.5

-5.77

-3.27

 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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