Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-28.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 0.474 ΔGbinding 35.137
TOTAL
 35.611
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.475
Van der Waals -5.421 Backbone clash 3.559
Electrostatics 0.295 Helix dipole 0.000
Solvation Polar 6.978 Water bridges -0.034
Solvation Hyd -6.926 Disulfide 0.000
VdW clashes 34.463 Electrost. Kon 0.373
Entropy sc 0.705 Part.cov.bonds 0.000
Entropy mc

4.228

 ΔGstability

47.103
       

Predicted ligand sequences for model [MYO3_1R6S-28.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_1R6S-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 KMRIPRRKGR 0.0
2 KMPIPRRKGR 0.02
3 KMRIPRRPGR 0.02
4 KMRIPRRLGR 0.02
5 KMPIPRRLGR 0.04
6 KMPIPRRPGR 0.04
7 KMEIPRRKGR 0.09
8 KMEIPRRLGR 0.11
9 KMEIPRRPGR 0.11
10 MMRIPRRKGR 0.12
11 MMPIPRRKGR 0.14
12 MMRIPRRPGR 0.14
13 MMRIPRRLGR 0.14
14 MMPIPRRPGR 0.16
15 MMPIPRRLGR 0.16
16 MMEIPRRKGR 0.21
17 KKRIPRRKGR 0.22
18 KMRIFRRKGR 0.23
19 MMEIPRRLGR 0.23
20 MMEIPRRPGR 0.23
21 RMRIPRRKGR 0.23
22 KKPIPRRKGR 0.24
23 KKRIPRRPGR 0.24
24 KMRIPHRKGR 0.25
25 KMRIFRRPGR 0.25
26 KMPIFRRKGR 0.25
27 RMPIPRRKGR 0.25
28 KKRIPRRLGR 0.25
29 KKPIPRRLGR 0.26
30 KMRIFRRLGR 0.26
31 RMRIPRRLGR 0.26
32 KKPIPRRPGR 0.26
33 RMRIPRRPGR 0.26
34 KMPIFRRLGR 0.27
35 KMPIFRRPGR 0.27
36 RMPIPRRPGR 0.27
37 KMPIPHRKGR 0.27
38 KMRIPHRPGR 0.27
39 RMPIPRRLGR 0.27
40 KMRIPFRKGR 0.28
41 KMRIPHRLGR 0.28
42 KMPIPHRLGR 0.29
43 KMPIPHRPGR 0.29
44 KRRIPRRKGR 0.29
45 KMRIPRRKGK 0.3
46 KMRIPFRLGR 0.3
47 KMPIPFRKGR 0.3
48 KMRIPFRPGR 0.3
49 KMPIPRRKGK 0.31
50 KKEIPRRKGR 0.31
51 KRPIPRRKGR 0.31
52 KMEIFRRKGR 0.32
53 KRRIPRRLGR 0.32
54 KMPIPFRLGR 0.32
55 KMPIPFRPGR 0.32
56 KMRIPRRPGK 0.32
57 KRRIPRRPGR 0.32
58 KMRIPRRLGK 0.32
59 RMEIPRRKGR 0.32
60 KRPIPRRPGR 0.33
61 KKEIPRRPGR 0.33
62 KMPIPRRPGK 0.33
63 MKRIPRRKGR 0.34
64 KRPIPRRLGR 0.34
65 KMEIFRRLGR 0.34
66 KMEIFRRPGR 0.34
67 KMPIPRRLGK 0.34
68 KKEIPRRLGR 0.34
69 KMEIPHRKGR 0.34
70 RMEIPRRLGR 0.35
71 MMRIFRRKGR 0.35
72 RMEIPRRPGR 0.35
73 KMEIPHRLGR 0.36
74 MKPIPRRKGR 0.36
75 MKRIPRRPGR 0.36
76 KMEIPHRPGR 0.36
77 MMRIPHRKGR 0.37
78 MKRIPRRLGR 0.37
79 KMEIPFRKGR 0.37
80 MMPIFRRKGR 0.37
81 MMRIFRRPGR 0.37
82 MKPIPRRPGR 0.38
83 KREIPRRKGR 0.38
84 MKPIPRRLGR 0.38
85 MMRIFRRLGR 0.38
86 KMRIHRRKGR 0.38
87 KMEIPRRKGK 0.39
88 KMEIPFRPGR 0.39
89 MMPIPHRKGR 0.39
90 MMPIFRRLGR 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMRIPRRKGR

2.22

-3.17

-0.95
2 KMPIPRRKGR

2.87

-2.98

-0.11
3 KMRIPRRKGR

2.36

-2.21

0.15
4 RMPIPRRKGR

2.12

-1.78

0.34
5 MMPIPRRLGR

1.91

-1.27

0.64
6 KKRIPRRKGR

2.5

-1.81

0.69
7 KMEIPRRLGR

1.41

-0.7

0.71
8 KMPIPRRLGR

2.15

-1.3

0.85
9 MMEIPRRLGR

1.86

-0.99

0.87
10 MMPIPRRKGR

2.6

-1.59

1.01
11 KMPIPRRPGR

2.4

-1.32

1.08
12 MMRIPRRKGR

2.6

-1.46

1.14
13 KMRIPRRLGR

2.17

-0.93

1.24
14 KMRIFRRKGR

2.05

-0.76

1.29
15 KKRIPRRLGR

2.81

-1.52

1.29
16 KMPIFRRKGR

2.52

-1.23

1.29
17 MMEIPRRKGR

2.3

-0.86

1.44
18 KKPIPRRKGR

2.42

-0.87

1.55
19 KMEIPRRKGR

2.89

-1.34

1.55
20 MMPIPRRPGR

3.04

-1.45

1.59
21 MMRIPRRLGR

2.49

-0.83

1.66
22 KMRIFRRLGR

2.15

-0.32

1.83
23 KMRIPRRPGR

2.37

-0.51

1.86
24 KKRIPRRPGR

2.87

-1.01

1.86
25 KMRIPHRKGR

2.14

-0.18

1.96
26 MMEIPRRPGR

2.65

-0.61

2.04
27 MMRIPRRPGR

2.97

-0.68

2.29
28 KKPIPRRLGR

2.55

-0.23

2.32
29 KMRIFRRPGR

2.64

-0.14

2.5
30 KMEIPRRPGR

2.67

-0.05

2.62

 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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