Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-3.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
 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 3.948 ΔGbinding 5.480
TOTAL
 9.428
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 2.144
Van der Waals -5.170 Backbone clash 0.168
Electrostatics -0.612 Helix dipole 0.000
Solvation Polar 6.335 Water bridges -0.018
Solvation Hyd -7.130 Disulfide 0.000
VdW clashes 6.857 Electrost. Kon -0.575
Entropy sc 0.987 Part.cov.bonds 0.000
Entropy mc

4.437

 ΔGstability

16.082
       

Predicted ligand sequences for model [MYO3_1VA7-3.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_1VA7-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 TRGRWFWPKP 0.0
2 TRGRWFWPRP 0.04
3 TRGRWFWDKP 0.08
4 TRGRKFWPKP 0.1
5 TRGRWFWDRP 0.12
6 TRGRRFWPKP 0.12
7 TRGRKFWPRP 0.14
8 TRSRWFWPKP 0.14
9 TRGRWFWEKP 0.15
10 TRGRRFWPRP 0.17
11 TRGRKFWDKP 0.18
12 TRSRWFWPRP 0.18
13 TRGRWFMPKP 0.18
14 TRGRWHWPKP 0.18
15 TRGRWFWERP 0.19
16 TRGRRFWDKP 0.21
17 TRGRWFMPRP 0.22
18 TRGRWHWPRP 0.22
19 TRGRKFWDRP 0.22
20 TRGRWFWPKR 0.23
21 TRSRWFWDKP 0.23
22 TRSRKFWPKP 0.24
23 TRGRWFKPKP 0.24
24 TRDRWFWPKP 0.25
25 TRGRRFWDRP 0.25
26 TRGRKFWEKP 0.25
27 TRGRWHWDKP 0.26
28 TRSRRFWPKP 0.27
29 TRSRWFWDRP 0.27
30 TRGRWFMDKP 0.27
31 TRGRWFWPRR 0.27
32 TRGRKHWPKP 0.28
33 TRSRKFWPRP 0.28
34 TRGRWFKPRP 0.28
35 TRGRRFWEKP 0.28
36 TRGRKFMPKP 0.28
37 TRGRKFWERP 0.29
38 TRSRWFWEKP 0.29
39 TRDRWFWPRP 0.29
40 TRGRRHWPKP 0.3
41 TRGRWHWDRP 0.3
42 TRGRWFWDKR 0.31
43 TRSRRFWPRP 0.31
44 TRGRWFMDRP 0.31
45 TRGRRFMPKP 0.31
46 TRGRWFKDKP 0.32
47 TRGRRFWERP 0.32
48 TRSRWFMPKP 0.32
49 TRGRKHWPRP 0.32
50 TRSRWHWPKP 0.32
51 TRGRKFMPRP 0.32
52 TRGRWHWEKP 0.33
53 TRGRKFWPKR 0.33
54 TRSRKFWDKP 0.33
55 TRGRWFMEKP 0.33
56 TRSRWFWERP 0.34
57 TRDRWFWDKP 0.34
58 TRGRRHWPRP 0.34
59 TRGRKFKPKP 0.34
60 TRGRWFWDRR 0.35
61 TRGRRFWPKR 0.35
62 TRDRKFWPKP 0.35
63 TRSRRFWDKP 0.35
64 TRGRRFMPRP 0.35
65 TRGRRFKPKP 0.36
66 TRSRWFMPRP 0.36
67 TRSRWHWPRP 0.36
68 TRGRWFKDRP 0.36
69 TRGRWHMPKP 0.36
70 TRGRKHWDKP 0.36
71 TRGRKFMDKP 0.36
72 TRSRKFWDRP 0.37
73 TRGRWFMERP 0.37
74 TRGRKFWPRR 0.37
75 TRGRWHWERP 0.37
76 TRSRWFWPKR 0.37
77 TRGRWFWEKR 0.38
78 TRDRWFWDRP 0.38
79 TRGRKFKPRP 0.38
80 TRSRWFKPKP 0.38
81 TRDRRFWPKP 0.38
82 TRGRRHWDKP 0.39
83 TRSRKFWEKP 0.39
84 TRGRWFKEKP 0.39
85 TRDRKFWPRP 0.39
86 TRGRRFWPRR 0.39
87 TRGRRFMDKP 0.39
88 TRSRRFWDRP 0.39
89 TRGRWHMPRP 0.4
90 TRGRRFKPRP 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TRGRWFMDKP

5.32

-8.0

-2.68
2 TRGRWFWEKP

5.25

-7.64

-2.39
3 TRGRWFWPKP

5.44

-7.46

-2.02
4 TRGRWHWPKP

5.38

-7.39

-2.01
5 TRGRRFWPRP

5.45

-7.39

-1.94
6 TRGRWHWDKP

5.24

-7.05

-1.81
7 TRSRWFWDRP

5.72

-6.99

-1.27
8 TRGRKFWPKP

4.86

-6.12

-1.26
9 TRGRRFWDKP

5.78

-7.02

-1.24
10 TRGRKFWPRP

5.74

-6.92

-1.18
11 TRGRWFWPKR

5.46

-6.61

-1.15
12 TRGRKFWEKP

3.8

-4.81

-1.01
13 TRSRRFWPKP

5.74

-6.62

-0.88
14 TRGRKFWDRP

5.74

-6.54

-0.8
15 TRGRRFWPKP

4.95

-5.72

-0.77
16 TRGRWFWPRP

5.94

-6.62

-0.68
17 TRGRWFKPKP

6.37

-7.01

-0.64
18 TRGRWFWDKP

4.57

-5.18

-0.61
19 TRGRWFWERP

4.31

-4.88

-0.57
20 TRGRWFMPKP

6.55

-6.81

-0.26
21 TRGRKFWDKP

4.43

-4.21

0.22
22 TRGRWFWDRP

6.97

-6.23

0.74
23 TRSRWFWPRP

7.87

-6.96

0.91
24 TRGRWFMPRP

6.97

-5.96

1.01
25 TRDRWFWPKP

8.12

-6.44

1.68
26 TRSRKFWPKP

8.2

-6.2

2.0
27 TRSRWFWPKP

7.53

-5.37

2.16
28 TRGRWHWPRP

7.58

-5.08

2.5
29 TRGRRFWDRP

7.66

-5.03

2.63
30 TRSRWFWDKP

9.7

-5.86

3.84

 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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