Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-27.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
poly-Ala
A
 G 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 0.337 ΔGbinding -2.581
TOTAL
 -2.244
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.237
Van der Waals -4.564 Backbone clash 0.044
Electrostatics -0.201 Helix dipole 0.000
Solvation Polar 5.663 Water bridges -0.013
Solvation Hyd -5.693 Disulfide 0.000
VdW clashes 2.735 Electrost. Kon -0.294
Entropy sc 1.191 Part.cov.bonds 0.000
Entropy mc

2.184

 ΔGstability

6.924
       

Predicted ligand sequences for model [MYO5_1VA7-27.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_1VA7-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGTHWDPRR 0.0
2 RGTHWDPRP 0.06
3 RGTHWPPRR 0.06
4 RGTHWDPRW 0.07
5 RNTHWDPRR 0.11
6 RGTHWPPRP 0.12
7 RGWHWDPRR 0.13
8 RGTHWPPRW 0.13
9 RDTHWDPRR 0.17
10 RNTHWPPRR 0.17
11 RNTHWDPRP 0.17
12 RNTHWDPRW 0.18
13 RGWHWDPRP 0.19
14 RGWHWPPRR 0.19
15 RGWHWDPRW 0.2
16 RDTHWDPRP 0.23
17 RNTHWPPRP 0.23
18 RDTHWPPRR 0.23
19 RGTEWDPRR 0.23
20 RGTHWMPRR 0.23
21 RDTHWDPRW 0.24
22 RNTHWPPRW 0.24
23 RNWHWDPRR 0.24
24 RGWHWPPRP 0.25
25 RGWHWPPRW 0.26
26 RGTHPDPRR 0.27
27 RGTEWPPRR 0.29
28 RNWHWPPRR 0.29
29 RDTHWPPRP 0.29
30 RGTEWDPRP 0.29
31 RGTHWMPRP 0.29
32 RDTHWPPRW 0.3
33 RNWHWDPRP 0.3
34 RDWHWDPRR 0.3
35 RGTHWMPRW 0.3
36 RGTEWDPRW 0.31
37 RNWHWDPRW 0.31
38 RGTHPDPRP 0.33
39 RGTHPPPRR 0.33
40 RNTEWDPRR 0.34
41 RNTHWMPRR 0.34
42 RGTEWPPRP 0.35
43 RGTHPDPRW 0.35
44 RNWHWPPRP 0.35
45 RGTEWPPRW 0.36
46 RGWHWMPRR 0.36
47 RDWHWPPRR 0.36
48 RGWEWDPRR 0.36
49 RDWHWDPRP 0.36
50 RNWHWPPRW 0.37
51 RDWHWDPRW 0.37
52 RNTHPDPRR 0.38
53 RGTHPPPRP 0.39
54 RDTHWMPRR 0.4
55 RGWHPDPRR 0.4
56 RNTEWDPRP 0.4
57 RGTHPPPRW 0.4
58 RNTHWMPRP 0.4
59 RNTEWPPRR 0.4
60 RDTEWDPRR 0.41
61 RNTEWDPRW 0.41
62 RNTHWMPRW 0.41
63 RGWHWMPRP 0.42
64 RDWHWPPRP 0.42
65 RGWEWPPRR 0.42
66 RGWEWDPRP 0.42
67 RGWHWMPRW 0.43
68 RDWHWPPRW 0.43
69 RGWEWDPRW 0.44
70 RNTHPDPRP 0.44
71 RNTHPPPRR 0.44
72 RGMHWDPRR 0.45
73 RNTHPDPRW 0.45
74 RDTHPDPRR 0.45
75 RDTHWMPRP 0.46
76 RGWHPDPRP 0.46
77 RDTEWPPRR 0.46
78 RGWHPPPRR 0.46
79 RNTEWPPRP 0.46
80 RGTEWMPRR 0.46
81 RDTEWDPRP 0.47
82 RGTRWDPRR 0.47
83 RDTHWMPRW 0.47
84 RNWEWDPRR 0.47
85 RNWHWMPRR 0.47
86 RNTEWPPRW 0.47
87 RDTEWDPRW 0.48
88 RGWHPDPRW 0.48
89 RGWEWPPRP 0.48
90 FGTHWDPRR 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RGTHPDPRR

2.71

-5.82

-3.11
2 RGTHWDPRP

2.62

-5.72

-3.1
3 RGWHWDPRP

2.92

-5.9

-2.98
4 RGWHWPPRW

3.0

-5.89

-2.89
5 RGWHWPPRP

3.12

-5.91

-2.79
6 RGTHWPPRW

3.11

-5.83

-2.72
7 RGTHWPPRR

3.46

-6.1

-2.64
8 RGWHWDPRW

3.38

-6.0

-2.62
9 RGTEWPPRR

4.01

-6.53

-2.52
10 RGTHWPPRP

3.01

-5.49

-2.48
11 RGWHWPPRR

3.08

-5.45

-2.37
12 RGWHWDPRR

3.55

-5.73

-2.18
13 RNTHWDPRP

4.71

-6.89

-2.18
14 RGTHWMPRR

3.76

-5.9

-2.14
15 RNWHWPPRR

3.83

-5.94

-2.11
16 RNTHWPPRR

3.52

-5.59

-2.07
17 RGTHWDPRR

3.55

-5.55

-2.0
18 RGTEWDPRP

4.1

-5.98

-1.88
19 RNWHWDPRR

3.71

-5.57

-1.86
20 RGTHWDPRW

3.08

-4.87

-1.79
21 RDTHWPPRR

3.63

-5.3

-1.67
22 RNTHWPPRP

3.63

-5.26

-1.63
23 RGTEWDPRR

3.81

-5.2

-1.39
24 RDTHWDPRW

4.58

-5.94

-1.36
25 RDTHWPPRP

4.11

-5.43

-1.32
26 RNTHWDPRW

4.05

-5.32

-1.27
27 RDTHWDPRR

3.82

-5.07

-1.25
28 RNTHWPPRW

3.67

-4.88

-1.21
29 RDTHWDPRP

3.7

-4.89

-1.19
30 RNTHWDPRR

3.74

-4.89

-1.15

 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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