Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala A
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 0.133 ΔGbinding -1.086
TOTAL
 -0.953
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.336
Van der Waals -1.892 Backbone clash 0.010
Electrostatics 0.058 Helix dipole 0.000
Solvation Polar 2.530 Water bridges -0.000
Solvation Hyd -2.386 Disulfide 0.000
VdW clashes 0.000 Electrost. Kon 0.062
Entropy sc 0.379 Part.cov.bonds 0.000
Entropy mc

1.102

 ΔGstability

2.042
       

Predicted ligand sequences for model [MYO3_1VA7-12.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_1VA7-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKIPRRWR 0.0
2 RKIPPRWR 0.03
3 RKIPDRWR 0.1
4 RKIPHRWR 0.17
5 YKIPRRWR 0.2
6 YKIPPRWR 0.23
7 RKIPRRWK 0.27
8 RKIPRRWH 0.29
9 YKIPDRWR 0.3
10 RKIPRRWP 0.31
11 RKIPPRWK 0.31
12 RKIPPRWH 0.32
13 RKIPPRWP 0.34
14 RKIPDRWK 0.37
15 YKIPHRWR 0.37
16 RKIPDRWH 0.39
17 RKIRRRWR 0.39
18 RKIPDRWP 0.41
19 RKIRPRWR 0.42
20 KKIPRRWR 0.45
21 RKIPHRWK 0.45
22 RKIPHRWH 0.46
23 YKIPRRWK 0.47
24 KKIPPRWR 0.48
25 RKIKRRWR 0.48
26 RKIPHRWP 0.48
27 YKIPRRWH 0.49
28 RKIRDRWR 0.49
29 YKIPRRWP 0.5
30 YKIPPRWK 0.5
31 RKIKPRWR 0.51
32 YKIPPRWH 0.52
33 YKIPPRWP 0.54
34 KKIPDRWR 0.55
35 RKIRHRWR 0.56
36 YKIPDRWK 0.57
37 RKIKDRWR 0.58
38 YKIRRRWR 0.58
39 YKIPDRWH 0.59
40 YKIPDRWP 0.6
41 YKIRPRWR 0.62
42 KKIPHRWR 0.62
43 YKIPHRWK 0.64
44 RKIKHRWR 0.65
45 RKIRRRWK 0.66
46 YKIPHRWH 0.66
47 YKIKRRWR 0.67
48 YKIPHRWP 0.68
49 RKIRRRWH 0.68
50 YKIRDRWR 0.68
51 RKIRPRWK 0.69
52 RKIRRRWP 0.69
53 RKIRPRWH 0.71
54 YKIKPRWR 0.71
55 KKIPRRWK 0.72
56 RKIRPRWP 0.73
57 KKIPRRWH 0.74
58 RKIKRRWK 0.75
59 KKIPRRWP 0.76
60 KKIPPRWK 0.76
61 YKIRHRWR 0.76
62 RKIRDRWK 0.76
63 YKIKDRWR 0.77
64 RKIKRRWH 0.77
65 RKIKPRWK 0.78
66 RKIKRRWP 0.78
67 KKIPPRWH 0.78
68 RKIRDRWH 0.78
69 KKIPPRWP 0.79
70 RKIRDRWP 0.79
71 RKIKPRWH 0.8
72 RKIKPRWP 0.82
73 KKIPDRWK 0.83
74 RKIRHRWK 0.83
75 KKIPDRWH 0.84
76 KKIRRRWR 0.84
77 RKIKDRWK 0.85
78 RKIRHRWH 0.85
79 YKIKHRWR 0.85
80 KKIPDRWP 0.86
81 YKIRRRWK 0.86
82 RKIKDRWH 0.87
83 YKIRRRWH 0.87
84 KKIRPRWR 0.87
85 RKIRHRWP 0.87
86 RKIKDRWP 0.88
87 YKIRPRWK 0.89
88 YKIRRRWP 0.89
89 KKIPHRWK 0.9
90 YKIRPRWH 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKIPRRWH

2.15

-7.11

-4.96
2 YKIPDRWR

2.08

-7.01

-4.93
3 RKIKRRWR

2.13

-6.99

-4.86
4 RKIPPRWH

2.06

-6.77

-4.71
5 RKIRPRWR

2.13

-6.8

-4.67
6 RKIPPRWR

1.62

-6.2

-4.58
7 RKIRRRWR

2.32

-6.88

-4.56
8 YKIPPRWK

1.84

-6.34

-4.5
9 YKIPHRWR

2.09

-6.58

-4.49
10 RKIPHRWR

2.21

-6.63

-4.42
11 RKIPPRWK

1.96

-6.32

-4.36
12 RKIPDRWR

2.25

-6.55

-4.3
13 RKIPHRWH

2.35

-6.58

-4.23
14 RKIPRRWR

1.83

-6.0

-4.17
15 RKIPDRWP

1.6

-5.76

-4.16
16 RKIPRRWK

2.27

-6.42

-4.15
17 YKIPPRWR

2.58

-6.73

-4.15
18 RKIPDRWH

1.56

-5.66

-4.1
19 YKIPRRWP

2.14

-6.23

-4.09
20 RKIPHRWP

2.42

-6.47

-4.05
21 RKIPPRWP

2.28

-6.31

-4.03
22 YKIPRRWK

1.75

-5.77

-4.02
23 YKIPRRWR

2.63

-6.61

-3.98
24 RKIPHRWK

2.04

-6.0

-3.96
25 KKIPRRWR

1.62

-5.47

-3.85
26 RKIPDRWK

1.68

-5.47

-3.79
27 RKIPRRWP

1.97

-5.76

-3.79
28 KKIPPRWR

2.01

-5.75

-3.74
29 YKIPRRWH

2.42

-5.95

-3.53
30 RKIRDRWR

3.14

-6.49

-3.35

 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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