Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1RUW-29.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 1.284 ΔGbinding -1.024
TOTAL
 0.260
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.486
Van der Waals -3.532 Backbone clash 0.008
Electrostatics 0.083 Helix dipole 0.000
Solvation Polar 3.679 Water bridges 0.000
Solvation Hyd -4.606 Disulfide 0.000
VdW clashes 0.015 Electrost. Kon 0.102
Entropy sc 0.252 Part.cov.bonds 0.000
Entropy mc

2.497

 ΔGstability

3.694
       

Predicted ligand sequences for model [MYO5_1RUW-29.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-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KYLPRPFRWH 0.0
2 HYLPRPFRWH 0.01
3 RYLPRPFRWH 0.02
4 HYLPRPFRWR 0.06
5 KYLPRPFRWR 0.06
6 RYLPRPFRWR 0.07
7 HYLPRMFRWH 0.11
8 KYLPRMFRWH 0.11
9 HYLPRWFRWH 0.11
10 KYLPRWFRWH 0.11
11 RYLPRWFRWH 0.12
12 HILPRPFRWH 0.12
13 KILPRPFRWH 0.12
14 RYLPRMFRWH 0.12
15 KYWPRPFRWH 0.13
16 HYWPRPFRWH 0.14
17 RILPRPFRWH 0.14
18 RYWPRPFRWH 0.15
19 KYLPRMFRWR 0.16
20 KYLPRWFRWR 0.16
21 HYLPRMFRWR 0.17
22 HYLPRWFRWR 0.17
23 RYLPRWFRWR 0.18
24 HILPRPFRWR 0.18
25 KILPRPFRWR 0.18
26 RYLPRMFRWR 0.18
27 KYLPRPFFWH 0.19
28 HYWPRPFRWR 0.19
29 KYLFRPFRWH 0.19
30 KYWPRPFRWR 0.19
31 RILPRPFRWR 0.19
32 HYLFRPFRWH 0.2
33 HYLPRPFFWH 0.2
34 RYWPRPFRWR 0.2
35 RYLPRPFFWH 0.21
36 RYLFRPFRWH 0.21
37 KYLPRPFRWK 0.21
38 HYLPRPFRWK 0.22
39 KILPRMFRWH 0.23
40 HILPRMFRWH 0.23
41 RYLPRPFRWK 0.23
42 KILPRWFRWH 0.23
43 HILPRWFRWH 0.23
44 RILPRMFRWH 0.24
45 KYWPRMFRWH 0.24
46 HYWPRMFRWH 0.24
47 RILPRWFRWH 0.24
48 HYWPRWFRWH 0.24
49 KYWPRWFRWH 0.24
50 KYLFRPFRWR 0.25
51 KYLPRPFFWR 0.25
52 HYLFRPFRWR 0.25
53 HYLPRPFFWR 0.25
54 RYWPRWFRWH 0.25
55 KIWPRPFRWH 0.25
56 RYWPRMFRWH 0.25
57 HIWPRPFRWH 0.26
58 RYLPRPFFWR 0.27
59 RYLFRPFRWR 0.27
60 RIWPRPFRWH 0.27
61 KYLPRPPRWH 0.27
62 HYLPRPPRWH 0.27
63 KILPRMFRWR 0.28
64 KYLIRPFRWH 0.28
65 RYLPRPPRWH 0.28
66 HYLIRPFRWH 0.28
67 KILPRWFRWR 0.28
68 HILPRMFRWR 0.29
69 KYWPRMFRWR 0.29
70 HILPRWFRWR 0.29
71 KYWPRWFRWR 0.29
72 RYLIRPFRWH 0.29
73 KYLPRMFFWH 0.3
74 HYLFRMFRWH 0.3
75 KYLPRWFFWH 0.3
76 HYLFRWFRWH 0.3
77 RILPRMFRWR 0.3
78 HYWPRMFRWR 0.3
79 RILPRWFRWR 0.3
80 KYLFRWFRWH 0.3
81 HYLPRWFFWH 0.3
82 HYLPRMFFWH 0.3
83 KYLFRMFRWH 0.3
84 HYWPRWFRWR 0.3
85 RYLFRMFRWH 0.31
86 KILFRPFRWH 0.31
87 HIWPRPFRWR 0.31
88 RYLFRWFRWH 0.31
89 KILPRPFFWH 0.31
90 RYWPRWFRWR 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RILPRPFRWH

2.9

-9.56

-6.66
2 KILPRPFRWR

2.88

-9.41

-6.53
3 HILPRPFRWH

3.05

-9.53

-6.48
4 KILPRPFRWH

3.29

-9.45

-6.16
5 KYLPRMFRWR

3.07

-8.5

-5.43
6 KYLPRPFRWH

3.0

-8.38

-5.38
7 HYLPRMFRWH

3.13

-8.39

-5.26
8 HILPRPFRWR

3.04

-8.28

-5.24
9 HYWPRPFRWH

2.94

-8.08

-5.14
10 KYLPRMFRWH

3.2

-8.31

-5.11
11 RYLPRMFRWH

3.01

-8.03

-5.02
12 RYLPRPFRWH

3.09

-8.07

-4.98
13 KYWPRPFRWH

3.01

-7.92

-4.91
14 RYLPRMFRWR

3.14

-8.0

-4.86
15 KYLPRPFRWR

2.84

-7.63

-4.79
16 HYLPRMFRWR

3.3

-8.09

-4.79
17 KYWPRPFRWR

3.17

-7.61

-4.44
18 HYLPRPFRWR

2.96

-7.39

-4.43
19 HYLPRPFRWH

3.36

-7.63

-4.27
20 KYLFRPFRWH

3.16

-7.27

-4.11
21 RYWPRPFRWH

3.23

-7.31

-4.08
22 RYLPRPFRWR

3.08

-7.06

-3.98
23 KYLPRPFFWH

2.42

-6.25

-3.83
24 KYLPRWFRWH

3.22

-6.44

-3.22
25 KYLPRWFRWR

3.3

-6.31

-3.01
26 RYLPRWFRWH

3.36

-6.32

-2.96
27 HYLPRWFRWH

3.82

-6.66

-2.84
28 RYLPRWFRWR

3.14

-5.7

-2.56
29 HYWPRPFRWR

3.11

-5.55

-2.44
30 HYLPRWFRWR

3.32

-5.05

-1.73

 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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