Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-1.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 0.208 ΔGbinding -3.923
TOTAL
 -3.715
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.904
Van der Waals -4.134 Backbone clash 0.101
Electrostatics -0.216 Helix dipole 0.000
Solvation Polar 4.296 Water bridges 0.000
Solvation Hyd -5.983 Disulfide 0.000
VdW clashes 0.008 Electrost. Kon -0.293
Entropy sc 0.727 Part.cov.bonds 0.000
Entropy mc

2.043

 ΔGstability

19.435
       

Predicted ligand sequences for model [MYO3_1ZUY-1.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_1ZUY-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRRRDRY 0.0
2 RRSRRRRDRY 0.0
3 RRLRRRRDRY 0.01
4 RRRRRRRERY 0.02
5 RRSRRRRERY 0.02
6 RRLRRRRERY 0.03
7 RRRRRLRDRY 0.19
8 RRSRRLRDRY 0.19
9 RRLRRLRDRY 0.2
10 RRRRRRRDRH 0.21
11 RRRRRLRERY 0.21
12 RRSRRRRDRH 0.21
13 RRSRRLRERY 0.21
14 RRLRRRRDRH 0.22
15 RRLRRLRERY 0.22
16 RRRRRFRDRY 0.23
17 RRSRRFRDRY 0.23
18 RRRRRRRERH 0.23
19 RRSRRRRERH 0.23
20 RRLRRRRERH 0.24
21 RRLRRFRDRY 0.24
22 RRRRRRRPRY 0.25
23 RRSRRRRPRY 0.25
24 RRSRRFRERY 0.26
25 RRLRRRRPRY 0.26
26 RRRRRFRERY 0.26
27 RRLRRFRERY 0.27
28 RRRRRRRDRF 0.37
29 RRSRRRRDRF 0.37
30 RRLRRRRDRF 0.38
31 RRRRRRRERF 0.39
32 RRSRRRRERF 0.39
33 RRLRRRRERF 0.4
34 RRRRRLRDRH 0.4
35 RRSRRLRDRH 0.4
36 RRLRRLRDRH 0.41
37 RRRRRLRERH 0.42
38 RRSRRLRERH 0.42
39 RRLRRLRERH 0.43
40 RRRRRFRDRH 0.44
41 RRSRRFRDRH 0.44
42 RRSRRLRPRY 0.44
43 RRRRRLRPRY 0.44
44 RRLRRFRDRH 0.45
45 RRLRRLRPRY 0.45
46 RRRRRRRPRH 0.46
47 RRSRRRRPRH 0.46
48 RRLRRRRPRH 0.47
49 RRRRRFRERH 0.47
50 RRSRRFRERH 0.47
51 RRRRDRRDRY 0.47
52 RRSRDRRDRY 0.47
53 RRLRRFRERH 0.48
54 RRLRDRRDRY 0.48
55 RRSRRFRPRY 0.49
56 RRRRRFRPRY 0.49
57 RRSRDRRERY 0.49
58 RRRRDRRERY 0.49
59 RRLRDRRERY 0.5
60 RRLRRFRPRY 0.5
61 RRLRRLRDRF 0.56
62 RRRRRLRDRF 0.56
63 RRSRRLRDRF 0.56
64 RRRRRLRERF 0.58
65 RRSRRLRERF 0.58
66 RRLRRLRERF 0.59
67 RRRRRFRDRF 0.6
68 RRSRRFRDRF 0.6
69 RRLRRFRDRF 0.61
70 RRRRRRRPRF 0.62
71 RRSRRRRPRF 0.62
72 RRRRRFRERF 0.62
73 RRSRRFRERF 0.62
74 RRLRRRRPRF 0.63
75 RRLRRFRERF 0.63
76 RRSRRLRPRH 0.65
77 RRRRRLRPRH 0.65
78 RRRRDLRDRY 0.66
79 RRLRRLRPRH 0.66
80 RRSRDLRDRY 0.66
81 RRLRDLRDRY 0.67
82 RRSRDLRERY 0.68
83 RRRRDLRERY 0.68
84 RRSRDRRDRH 0.68
85 RRRRDRRDRH 0.68
86 RRLRDLRERY 0.69
87 RRLRDRRDRH 0.69
88 RRSRDFRDRY 0.7
89 RRSRRFRPRH 0.7
90 RRRRRFRPRH 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRLRRRRDRF

3.01

-10.12

-7.11
2 RRRRRRRDRF

2.74

-9.3

-6.56
3 RRLRRFRERY

3.46

-9.95

-6.49
4 RRRRRRRERH

2.81

-9.17

-6.36
5 RRLRRLRERY

3.16

-9.49

-6.33
6 RRSRRRRPRY

3.32

-9.46

-6.14
7 RRRRRRRERY

3.1

-9.17

-6.07
8 RRLRRLRDRY

3.13

-8.78

-5.65
9 RRSRRLRERY

3.19

-8.82

-5.63
10 RRLRRRRERH

3.11

-8.7

-5.59
11 RRRRRLRDRY

3.13

-8.7

-5.57
12 RRSRRRRDRH

3.1

-8.59

-5.49
13 RRRRRRRDRH

2.99

-8.35

-5.36
14 RRLRRRRDRY

3.28

-8.56

-5.28
15 RRLRRRRDRH

2.92

-8.09

-5.17
16 RRLRRRRPRY

3.06

-8.11

-5.05
17 RRRRRRRDRY

2.99

-8.03

-5.04
18 RRLRRRRERY

3.19

-8.21

-5.02
19 RRSRRRRERY

2.97

-7.89

-4.92
20 RRRRRRRPRY

2.64

-7.53

-4.89
21 RRRRRFRDRY

3.56

-8.42

-4.86
22 RRSRRRRDRY

3.19

-8.0

-4.81
23 RRSRRFRERY

3.48

-8.26

-4.78
24 RRRRRLRERY

3.29

-7.97

-4.68
25 RRSRRRRDRF

3.28

-7.8

-4.52
26 RRLRRFRDRY

3.74

-7.96

-4.22
27 RRSRRFRDRY

3.57

-7.18

-3.61
28 RRSRRRRERH

3.18

-6.78

-3.6
29 RRSRRLRDRY

3.05

-6.59

-3.54
30 RRRRRFRERY

3.39

-6.55

-3.16

 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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