Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-4.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 1.711 ΔGbinding -4.337
TOTAL
 -2.626
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.957
Van der Waals -4.933 Backbone clash 0.051
Electrostatics -0.216 Helix dipole 0.000
Solvation Polar 5.333 Water bridges -0.094
Solvation Hyd -7.021 Disulfide 0.000
VdW clashes 0.278 Electrost. Kon -0.283
Entropy sc 0.822 Part.cov.bonds 0.000
Entropy mc

2.094

 ΔGstability

7.522
       

Predicted ligand sequences for model [MYO3_1R6S-4.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_1R6S-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPPRRFRERW 0.0
2 HPPRRFRERW 0.01
3 WPPRMFRERW 0.02
4 HPPRMFRERW 0.03
5 WPPRRFRPRW 0.07
6 FPPRRFRERW 0.08
7 HPPRRFRPRW 0.08
8 WPPRRFRDRW 0.09
9 WPPRMFRPRW 0.09
10 HPPRRFRDRW 0.09
11 WPPRMFRDRW 0.1
12 FPPRMFRERW 0.1
13 HPPRMFRPRW 0.1
14 WIPRRFRERW 0.11
15 HPPRMFRDRW 0.11
16 HIPRRFRERW 0.12
17 WIPRMFRERW 0.13
18 HIPRMFRERW 0.14
19 FPPRRFRPRW 0.15
20 FPPRRFRDRW 0.17
21 FPPRMFRPRW 0.17
22 WIPRRFRPRW 0.18
23 FPPRMFRDRW 0.18
24 WPPRKFRERW 0.19
25 HIPRRFRPRW 0.19
26 FIPRRFRERW 0.19
27 HPPRKFRERW 0.2
28 WIPRRFRDRW 0.2
29 HIPRRFRDRW 0.2
30 WIPRMFRPRW 0.2
31 HIPRMFRPRW 0.21
32 WIPRMFRDRW 0.21
33 FIPRMFRERW 0.21
34 HIPRMFRDRW 0.22
35 WPRRRFRERW 0.23
36 HPRRRFRERW 0.24
37 WPRRMFRERW 0.25
38 HPRRMFRERW 0.26
39 WPPRKFRPRW 0.26
40 WPKRRFRERW 0.26
41 FIPRRFRPRW 0.26
42 HPPRKFRPRW 0.27
43 WPPRKFRDRW 0.27
44 FPPRKFRERW 0.27
45 HPKRRFRERW 0.27
46 HPPRKFRDRW 0.28
47 FIPRMFRPRW 0.28
48 WPKRMFRERW 0.28
49 FIPRRFRDRW 0.28
50 HPKRMFRERW 0.29
51 FIPRMFRDRW 0.29
52 WPRRRFRPRW 0.3
53 WIPRKFRERW 0.3
54 HIPRKFRERW 0.3
55 HPRRRFRPRW 0.31
56 FPRRRFRERW 0.31
57 WPRRRFRDRW 0.32
58 WPRRMFRPRW 0.32
59 FPRRMFRERW 0.33
60 WPKRRFRPRW 0.33
61 HPRRRFRDRW 0.33
62 WPRRMFRDRW 0.33
63 HPRRMFRPRW 0.33
64 FPKRRFRERW 0.34
65 HPKRRFRPRW 0.34
66 WIRRRFRERW 0.34
67 FPPRKFRPRW 0.34
68 HPRRMFRDRW 0.34
69 WWPRRFRERW 0.34
70 WPKRRFRDRW 0.35
71 FPPRKFRDRW 0.35
72 HIRRRFRERW 0.35
73 HWPRRFRERW 0.35
74 WPKRMFRPRW 0.35
75 FPKRMFRERW 0.36
76 WIRRMFRERW 0.36
77 HPKRMFRPRW 0.36
78 HPKRRFRDRW 0.36
79 WWPRMFRERW 0.36
80 WIPRKFRPRW 0.37
81 HWPRMFRERW 0.37
82 WPKRMFRDRW 0.37
83 HIRRMFRERW 0.37
84 WIKRRFRERW 0.37
85 FIPRKFRERW 0.38
86 HIKRRFRERW 0.38
87 HIPRKFRPRW 0.38
88 WIPRKFRDRW 0.38
89 HPKRMFRDRW 0.38
90 FPRRRFRPRW 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPRMFRPRW

4.1

-9.71

-5.61
2 WIPRMFRERW

1.66

-6.39

-4.73
3 WIPRRFRERW

3.6

-7.34

-3.74
4 FPPRRFRERW

3.24

-6.91

-3.67
5 WPPRMFRPRW

4.57

-8.18

-3.61
6 WPPRRFRERW

4.81

-8.35

-3.54
7 HPPRRFRDRW

4.32

-7.82

-3.5
8 FPPRMFRDRW

4.43

-7.85

-3.42
9 HPPRKFRERW

3.29

-6.64

-3.35
10 HPPRMFRDRW

3.39

-6.7

-3.31
11 HIPRMFRERW

3.09

-6.33

-3.24
12 FPPRRFRDRW

3.91

-7.06

-3.15
13 WPPRRFRDRW

3.83

-6.85

-3.02
14 HPPRMFRPRW

3.14

-6.1

-2.96
15 HIPRRFRPRW

3.97

-6.9

-2.93
16 WIPRMFRPRW

2.73

-5.56

-2.83
17 FIPRRFRERW

3.33

-6.15

-2.82
18 WIPRRFRDRW

4.08

-6.9

-2.82
19 WIPRRFRPRW

3.1

-5.91

-2.81
20 HIPRRFRDRW

3.2

-5.86

-2.66
21 HPPRMFRERW

3.72

-6.22

-2.5
22 HPPRRFRERW

3.6

-6.08

-2.48
23 FPPRRFRPRW

4.95

-7.24

-2.29
24 WPPRRFRPRW

3.6

-5.74

-2.14
25 HIPRRFRERW

3.15

-5.23

-2.08
26 FPPRMFRERW

3.94

-6.01

-2.07
27 HPPRRFRPRW

3.83

-5.88

-2.05
28 WPPRMFRERW

3.94

-5.83

-1.89
29 WPPRMFRDRW

4.39

-6.01

-1.62
30 WPPRKFRERW

4.49

-6.02

-1.53

 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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