Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-17.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
 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 4.127 ΔGbinding 1.398
TOTAL
 5.525
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.184
Van der Waals -4.647 Backbone clash 0.024
Electrostatics 0.197 Helix dipole 0.000
Solvation Polar 4.807 Water bridges 0.000
Solvation Hyd -6.495 Disulfide 0.000
VdW clashes 3.546 Electrost. Kon 0.244
Entropy sc 0.654 Part.cov.bonds 0.000
Entropy mc

5.459

 ΔGstability

10.673
       

Predicted ligand sequences for model [MYO3_1VA7-17.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_1VA7-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDIRWRRHY 0.0
2 RDLRWRRHY 0.05
3 RDVRWRRHY 0.05
4 RDIRRRRHY 0.07
5 RDVRRRRHY 0.12
6 RDLRRRRHY 0.12
7 RDIRWRRRY 0.13
8 RDIMWRRHY 0.13
9 RDVRWRRRY 0.18
10 RDVMWRRHY 0.19
11 RDLRWRRRY 0.19
12 RDLMWRRHY 0.19
13 RDIRWGRHY 0.2
14 RDIRRRRRY 0.2
15 RDIMRRRHY 0.2
16 RDIRWRRHF 0.23
17 RDLMRRRHY 0.25
18 RDVRWGRHY 0.25
19 RDLRWGRHY 0.25
20 RDVRRRRRY 0.25
21 RDLRRRRRY 0.25
22 RDVMRRRHY 0.25
23 RDIRRGRHY 0.26
24 RDIMWRRRY 0.27
25 RDVRWRRHF 0.28
26 RDLRWRRHF 0.29
27 RRIRWRRHY 0.29
28 RDIRRRRHF 0.3
29 RDIRWRRLY 0.3
30 RDLMWRRRY 0.32
31 RDVRRGRHY 0.32
32 RDVMWRRRY 0.32
33 RDLRRGRHY 0.32
34 RDIMWGRHY 0.33
35 RDIRWGRRY 0.33
36 RDIMRRRRY 0.33
37 RRVRWRRHY 0.34
38 RRLRWRRHY 0.35
39 RDVRRRRHF 0.35
40 RDLRRRRHF 0.35
41 RDVRWRRLY 0.35
42 RRIRRRRHY 0.36
43 RDLRWRRLY 0.36
44 RDIRWRRRF 0.36
45 RDIRRRRLY 0.37
46 RDIMWRRHF 0.37
47 RDVMRRRRY 0.38
48 RDVMWGRHY 0.38
49 RDVRWGRRY 0.38
50 RDLRWGRRY 0.38
51 RDLMWGRHY 0.39
52 RDLMRRRRY 0.39
53 RDIRRGRRY 0.4
54 RDIMRGRHY 0.4
55 RRVRRRRHY 0.41
56 RRLRRRRHY 0.41
57 RDVRWRRRF 0.42
58 RDVMWRRHF 0.42
59 RDLRRRRLY 0.42
60 RDVRRRRLY 0.42
61 RRIRWRRRY 0.42
62 RDLRWRRRF 0.42
63 RDLMWRRHF 0.42
64 RDIRWGRHF 0.43
65 RDIRRRRRF 0.43
66 RDIMRRRHF 0.43
67 RKIRWRRHY 0.43
68 RRIMWRRHY 0.43
69 RDIMWRRLY 0.44
70 RDLRRGRRY 0.45
71 RDVMRGRHY 0.45
72 RDVRRGRRY 0.45
73 RDLMRGRHY 0.45
74 RDIMWGRRY 0.46
75 YDIRWRRHY 0.47
76 RDLMRRRHF 0.48
77 RDVRWGRHF 0.48
78 RDLRWGRHF 0.48
79 RRLMWRRHY 0.48
80 RDVRRRRRF 0.48
81 RKVRWRRHY 0.48
82 RRVRWRRRY 0.48
83 RRLRWRRRY 0.48
84 RDLRRRRRF 0.48
85 RRVMWRRHY 0.48
86 RDVMRRRHF 0.48
87 RDVMWRRLY 0.49
88 RDIRRGRHF 0.49
89 RRIMRRRHY 0.49
90 RRIRRRRRY 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDLMWRRHY

4.08

-11.35

-7.27
2 RDVRWRRRY

4.12

-11.14

-7.02
3 RDLRWRRRY

4.59

-11.19

-6.6
4 RDIRWRRHY

4.26

-10.84

-6.58
5 RDLMRRRHY

4.37

-10.95

-6.58
6 RDIRWRRLY

4.2

-10.64

-6.44
7 RDLRWRRHY

3.75

-10.06

-6.31
8 RDIMWRRHY

3.84

-9.76

-5.92
9 RDVRWRRHY

4.11

-10.01

-5.9
10 RDVRRRRRY

4.29

-10.13

-5.84
11 RDVRWGRHY

2.45

-8.04

-5.59
12 RDVRWRRHF

4.62

-10.15

-5.53
13 RDVRRRRHY

4.04

-9.52

-5.48
14 RRIRWRRHY

4.42

-9.72

-5.3
15 RDIRRRRRY

5.06

-10.3

-5.24
16 RDIMWRRRY

4.12

-9.32

-5.2
17 RDIRRGRHY

3.85

-9.04

-5.19
18 RDIMRRRHY

4.33

-9.43

-5.1
19 RDVMWRRHY

3.84

-8.88

-5.04
20 RDIRWRRHF

4.29

-9.2

-4.91
21 RDIRWRRRY

4.96

-9.81

-4.85
22 RDVMRRRHY

4.17

-8.93

-4.76
23 RDLMWRRRY

4.48

-9.24

-4.76
24 RDLRWGRHY

3.77

-8.31

-4.54
25 RDIRRRRHF

4.32

-8.78

-4.46
26 RDLRRRRRY

4.48

-8.83

-4.35
27 RDIRWGRHY

3.33

-7.64

-4.31
28 RDLRWRRHF

4.31

-8.3

-3.99
29 RDLRRRRHY

4.51

-8.49

-3.98
30 RDIRRRRHY

4.38

-7.26

-2.88

 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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