Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-9.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 4.675 ΔGbinding 1.542
TOTAL
 6.217
Backbone Hb -2.800 Cis_bond 0.000
Sidechain Hb -2.762 Torsional clash 1.639
Van der Waals -4.151 Backbone clash 2.827
Electrostatics 0.123 Helix dipole 0.000
Solvation Polar 5.372 Water bridges -0.000
Solvation Hyd -5.236 Disulfide 0.000
VdW clashes 3.120 Electrost. Kon 0.176
Entropy sc 0.980 Part.cov.bonds 0.000
Entropy mc

5.082

 ΔGstability

8.991
       

Predicted ligand sequences for model [MYO5_1RUW-9.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_1RUW-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWRPPWM 0.0
2 RFWRTPWM 0.01
3 RFWRPLWM 0.02
4 RFPRPPWM 0.03
5 RLWRPPWM 0.03
6 RFWRTLWM 0.03
7 RFPRPLWM 0.04
8 RLWRTPWM 0.04
9 RFPRTPWM 0.04
10 RFWRWPWM 0.04
11 RFFRPPWM 0.05
12 RLWRPLWM 0.05
13 RFPRWPWM 0.06
14 RFFRTPWM 0.06
15 RFPRTLWM 0.06
16 RFWRWLWM 0.06
17 RLWRTLWM 0.06
18 RLPRPPWM 0.06
19 RLPRPLWM 0.07
20 RFFRPLWM 0.07
21 RLWRWPWM 0.07
22 RLPRTPWM 0.07
23 RFFRTLWM 0.08
24 RFPRWLWM 0.08
25 RLFRPPWM 0.08
26 RFFRWPWM 0.08
27 RLFRTPWM 0.09
28 RLPRWPWM 0.09
29 RLPRTLWM 0.09
30 RLWRWLWM 0.09
31 RFFRWLWM 0.1
32 RLFRPLWM 0.1
33 RLFRWPWM 0.11
34 RLFRTLWM 0.11
35 RLPRWLWM 0.11
36 RLFRWLWM 0.13
37 RFWRPDWM 0.15
38 RFWRTDWM 0.16
39 RFPRPDWM 0.17
40 RFPRTDWM 0.18
41 RLWRPDWM 0.18
42 RFWRWDWM 0.18
43 RLWRTDWM 0.19
44 RFFRPDWM 0.19
45 RFWRPPWL 0.19
46 RLPRPDWM 0.2
47 RFWRTPWL 0.2
48 RFPRPPWL 0.21
49 RLPRTDWM 0.21
50 RLWRWDWM 0.21
51 RFFRTDWM 0.21
52 RFWRPLWL 0.21
53 RFPRWDWM 0.21
54 RLWRPPWL 0.22
55 RFWRTLWL 0.22
56 RLFRPDWM 0.22
57 RFFRPPWL 0.23
58 RFPRPLWL 0.23
59 RFFRWDWM 0.23
60 RLWRTPWL 0.23
61 RFPRTPWL 0.23
62 RFWRWPWL 0.23
63 RFPRTLWL 0.24
64 RFWRWLWL 0.24
65 RLWRPLWL 0.24
66 RLPRWDWM 0.24
67 RLFRTDWM 0.24
68 RLPRPPWL 0.24
69 RFPRWPWL 0.25
70 RFFRPLWL 0.25
71 RFFRTPWL 0.25
72 RLWRTLWL 0.25
73 RLPRPLWL 0.26
74 RLWRWPWL 0.26
75 RLFRPPWL 0.26
76 RLFRWDWM 0.26
77 RLPRTPWL 0.26
78 RFFRTLWL 0.27
79 RFPRWLWL 0.27
80 RLPRTLWL 0.27
81 RFFRWPWL 0.27
82 RLWRWLWL 0.27
83 RLFRPLWL 0.28
84 RLPRWPWL 0.28
85 RLFRTPWL 0.28
86 RFFRWLWL 0.29
87 RYWRPPWM 0.29
88 RLFRTLWL 0.29
89 RLFRWPWL 0.3
90 RLPRWLWL 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RLPRPPWM

3.46

-8.47

-5.01
2 RLWRPPWM

3.41

-7.55

-4.14
3 RFFRPPWM

3.33

-7.46

-4.13
4 RFWRPPWM

3.54

-7.64

-4.1
5 RLFRPPWM

3.81

-7.87

-4.06
6 RLWRPLWM

3.32

-7.27

-3.95
7 RFPRPLWM

3.6

-7.47

-3.87
8 RFWRPLWM

3.32

-7.18

-3.86
9 RFPRPPWM

3.47

-7.32

-3.85
10 RFPRWPWM

3.9

-7.52

-3.62
11 RFPRTPWM

3.38

-6.93

-3.55
12 RFFRPLWM

3.96

-7.5

-3.54
13 RLPRWPWM

3.81

-7.14

-3.33
14 RLPRPLWM

3.44

-6.72

-3.28
15 RFFRWPWM

3.66

-6.87

-3.21
16 RLFRTPWM

3.46

-6.36

-2.9
17 RFPRWLWM

4.04

-6.72

-2.68
18 RFWRWLWM

4.42

-6.82

-2.4
19 RFWRTLWM

3.29

-5.57

-2.28
20 RFWRWPWM

3.91

-6.12

-2.21
21 RLWRTLWM

3.6

-5.75

-2.15
22 RLPRTPWM

3.77

-5.9

-2.13
23 RFWRTPWM

3.98

-5.86

-1.88
24 RLPRTLWM

3.85

-5.54

-1.69
25 RLWRTPWM

4.28

-5.95

-1.67
26 RLWRWPWM

4.56

-6.2

-1.64
27 RFPRTLWM

4.37

-5.7

-1.33
28 RFFRTLWM

3.92

-5.24

-1.32
29 RLWRWLWM

4.25

-5.47

-1.22
30 RFFRTPWM

4.62

-5.24

-0.62

 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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