Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-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 0.333 ΔGbinding -2.927
TOTAL
 -2.594
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.246
Van der Waals -4.555 Backbone clash 0.051
Electrostatics -0.191 Helix dipole 0.000
Solvation Polar 5.683 Water bridges -0.017
Solvation Hyd -5.652 Disulfide 0.000
VdW clashes 2.277 Electrost. Kon -0.274
Entropy sc 1.167 Part.cov.bonds 0.000
Entropy mc

2.213

 ΔGstability

5.702
       

Predicted ligand sequences for model [MYO3_1RUW-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).
 
  MYO3_1RUW-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGTYWDPRR 0.0
2 RGTYWDPWR 0.07
3 RGTYWPPRR 0.07
4 RGRYWDPRR 0.09
5 RGTYWDPRW 0.09
6 RGTYWDPRP 0.09
7 RNTYWDPRR 0.11
8 RGTYWPPWR 0.14
9 RGTYWPPRW 0.15
10 RGWYWDPRR 0.15
11 RGRYWPPRR 0.15
12 RGTYWDPWW 0.16
13 RGTYWDPWP 0.16
14 RGTYWPPRP 0.16
15 RGRYWDPWR 0.16
16 RGRYWDPRW 0.17
17 RDTYWDPRR 0.17
18 RGTYPDPRR 0.17
19 RNTYWPPRR 0.17
20 RGRYWDPRP 0.18
21 RNTYWDPWR 0.18
22 RNTYWDPRP 0.2
23 RNTYWDPRW 0.2
24 RGTYMDPRR 0.2
25 RNRYWDPRR 0.2
26 RGWYWPPRR 0.22
27 RGTYWPPWW 0.22
28 RGWYWDPWR 0.22
29 RGTYWMPRR 0.22
30 RGTYWPPWP 0.23
31 RGRYWPPWR 0.23
32 RGTYPDPWR 0.24
33 RGWYWDPRP 0.24
34 RGWYWDPRW 0.24
35 RGRYWPPRW 0.24
36 RGTYPPPRR 0.24
37 WGTYWDPRR 0.24
38 RDTYWPPRR 0.24
39 RNTYWPPWR 0.25
40 RGRYWPPRP 0.25
41 RGRYWDPWP 0.25
42 RGRYWDPWW 0.25
43 RDTYWDPWR 0.25
44 RNRYWPPRR 0.26
45 RDTYWDPRW 0.26
46 RNWYWDPRR 0.26
47 RGRYPDPRR 0.26
48 RGTYPDPRW 0.26
49 RGTYPDPRP 0.26
50 RNTYWPPRW 0.26
51 RDRYWDPRR 0.26
52 RDTYWDPRP 0.27
53 RNRYWDPWR 0.27
54 RNTYWDPWW 0.27
55 RNTYWPPRP 0.27
56 RGTYMPPRR 0.27
57 RNTYPDPRR 0.28
58 RGTYMDPWR 0.28
59 RNTYWDPWP 0.28
60 RNRYWDPRW 0.29
61 RGWYWPPWR 0.29
62 RGRYMDPRR 0.29
63 RGTYWMPWR 0.29
64 RNRYWDPRP 0.29
65 RGTYMDPRW 0.29
66 RGWYWPPRW 0.3
67 RGTYWMPRW 0.3
68 RGTYMDPRP 0.3
69 RGWYWPPRP 0.31
70 RGTYPPPWR 0.31
71 RGRYWMPRR 0.31
72 RGRYWPPWW 0.31
73 WGTYWPPRR 0.31
74 RGWYWDPWW 0.31
75 RGTYWMPRP 0.31
76 RDTYWPPWR 0.31
77 RGRYPPPRR 0.32
78 RGTYPPPRW 0.32
79 WGTYWDPWR 0.32
80 RGWYPDPRR 0.32
81 RGRYWPPWP 0.32
82 RDWYWDPRR 0.32
83 RGWYWDPWP 0.32
84 RNTYMDPRR 0.32
85 RDTYWPPRW 0.32
86 RNWYWDPWR 0.33
87 RNTYWPPWW 0.33
88 RGTYPDPWW 0.33
89 RGTYPDPWP 0.33
90 RNTYWMPRR 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRYWDPRR

3.33

-7.65

-4.32
2 RGRYWDPRW

3.43

-7.53

-4.1
3 RGTYMDPRR

2.07

-5.67

-3.6
4 RGTYWDPRW

3.83

-7.36

-3.53
5 RDTYWDPRR

3.78

-7.29

-3.51
6 RGRYWPPRR

3.63

-7.08

-3.45
7 RNTYWDPRR

3.82

-7.17

-3.35
8 RGRYWDPRP

3.57

-6.86

-3.29
9 RGTYWPPRW

3.29

-6.58

-3.29
10 RGTYPDPRR

3.39

-6.66

-3.27
11 RGTYWDPRP

3.09

-6.28

-3.19
12 RGWYWPPRR

3.8

-6.93

-3.13
13 RGTYWDPWR

2.9

-5.72

-2.82
14 RNTYWDPRP

3.84

-6.63

-2.79
15 RGTYWPPRP

3.24

-5.98

-2.74
16 RGTYWMPRR

3.02

-5.76

-2.74
17 RGTYWDPRR

4.32

-6.98

-2.66
18 RNRYWDPRR

4.31

-6.89

-2.58
19 RGTYWPPRR

4.0

-6.45

-2.45
20 RGTYWDPWW

2.78

-5.21

-2.43
21 RNTYWPPRR

4.55

-6.68

-2.13
22 RGRYWDPWR

3.39

-5.38

-1.99
23 RGTYWPPWW

3.86

-5.65

-1.79
24 RGTYWPPWR

3.72

-5.46

-1.74
25 RGWYWDPWR

3.3

-4.99

-1.69
26 RGWYWDPRR

3.49

-5.07

-1.58
27 RGTYWDPWP

3.72

-5.28

-1.56
28 RGTYWPPWP

3.76

-4.81

-1.05
29 RNTYWDPWR

4.53

-4.71

-0.18
30 RNTYWDPRW

11.02

-6.55

4.47

 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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