Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-20.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 1.309 ΔGbinding -0.298
TOTAL
 1.011
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.057
Van der Waals -4.104 Backbone clash 0.066
Electrostatics 0.190 Helix dipole 0.000
Solvation Polar 4.549 Water bridges -0.074
Solvation Hyd -5.551 Disulfide 0.000
VdW clashes 2.192 Electrost. Kon 0.237
Entropy sc 0.910 Part.cov.bonds 0.000
Entropy mc

4.346

 ΔGstability

13.126
       

Predicted ligand sequences for model [MYO3_1R6S-20.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-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRIWGRRR 0.0
2 RMPIWGRRR 0.04
3 RMKIWGRRR 0.06
4 RRRIWGRRR 0.07
5 RMRIWGRRY 0.08
6 RRPIWGRRR 0.11
7 RMPIWGRRY 0.12
8 RMHIWGRRR 0.13
9 RRKIWGRRR 0.13
10 RMKIWGRRY 0.14
11 RRRIWGRRY 0.15
12 RMRMWGRRR 0.15
13 RRPIWGRRY 0.19
14 RMPMWGRRR 0.19
15 RMKMWGRRR 0.2
16 RRKIWGRRY 0.21
17 RMHIWGRRY 0.21
18 RRHIWGRRR 0.21
19 RRRMWGRRR 0.22
20 RMRMWGRRY 0.23
21 RMRIWGRRP 0.25
22 RRPMWGRRR 0.26
23 RMPMWGRRY 0.27
24 RMRVWGRRR 0.27
25 RMHMWGRRR 0.28
26 RRKMWGRRR 0.28
27 RMKMWGRRY 0.28
28 RMPIWGRRP 0.29
29 RRHIWGRRY 0.29
30 RMKIWGRRP 0.3
31 RRRMWGRRY 0.3
32 RMPVWGRRR 0.31
33 RRRIWGRRP 0.32
34 RMRKWGRRR 0.33
35 RMKVWGRRR 0.33
36 RRPMWGRRY 0.34
37 RRRVWGRRR 0.34
38 RMRVWGRRY 0.35
39 RRHMWGRRR 0.35
40 RMHMWGRRY 0.36
41 RRPIWGRRP 0.36
42 RRKMWGRRY 0.36
43 RMPKWGRRR 0.37
44 RRKIWGRRP 0.38
45 RMHIWGRRP 0.38
46 RRPVWGRRR 0.38
47 RMPVWGRRY 0.39
48 RMKKWGRRR 0.39
49 RRKVWGRRR 0.4
50 RMRMWGRRP 0.4
51 RRRKWGRRR 0.4
52 RMHVWGRRR 0.4
53 RMRKWGRRY 0.41
54 RMKVWGRRY 0.41
55 RRRVWGRRY 0.42
56 RRHMWGRRY 0.43
57 RKRIWGRRR 0.43
58 RMPMWGRRP 0.44
59 RRPKWGRRR 0.45
60 RMPKWGRRY 0.45
61 RMKMWGRRP 0.45
62 RRPVWGRRY 0.46
63 RRKKWGRRR 0.46
64 RRHIWGRRP 0.46
65 RMRIWGRRM 0.47
66 RKPIWGRRR 0.47
67 RMHKWGRRR 0.47
68 RMKKWGRRY 0.47
69 RRRMWGRRP 0.47
70 RKKIWGRRR 0.48
71 RRHVWGRRR 0.48
72 RRKVWGRRY 0.48
73 RRRKWGRRY 0.48
74 RMHVWGRRY 0.48
75 RMPIWGRRM 0.51
76 RRPMWGRRP 0.51
77 RKRIWGRRY 0.51
78 RRKMWGRRP 0.52
79 RMRVWGRRP 0.52
80 RMHMWGRRP 0.53
81 RMKIWGRRM 0.53
82 RRPKWGRRY 0.53
83 RRKKWGRRY 0.54
84 RRHKWGRRR 0.54
85 RRRIWGRRM 0.54
86 RKPIWGRRY 0.55
87 RMHKWGRRY 0.55
88 RRHVWGRRY 0.56
89 RKHIWGRRR 0.56
90 RKKIWGRRY 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKIWGRRY

1.7

-11.2

-9.5
2 RMKIWGRRR

1.86

-10.52

-8.66
3 RMHIWGRRY

1.84

-10.48

-8.64
4 RMRIWGRRR

1.63

-10.14

-8.51
5 RRHIWGRRY

1.92

-10.31

-8.39
6 RMPIWGRRY

1.63

-9.86

-8.23
7 RMRIWGRRY

1.95

-10.05

-8.1
8 RMKMWGRRY

1.78

-9.86

-8.08
9 RMRMWGRRY

2.19

-10.21

-8.02
10 RMPMWGRRY

1.43

-9.2

-7.77
11 RRRIWGRRY

1.7

-9.42

-7.72
12 RMKIWGRRY

1.54

-9.11

-7.57
13 RMKIWGRRP

2.27

-9.81

-7.54
14 RMRIWGRRP

2.44

-9.95

-7.51
15 RRPMWGRRR

1.97

-9.32

-7.35
16 RRPIWGRRY

1.76

-9.01

-7.25
17 RRKIWGRRR

2.06

-9.29

-7.23
18 RMPIWGRRP

2.22

-9.31

-7.09
19 RRPIWGRRR

1.59

-8.66

-7.07
20 RRKMWGRRR

2.03

-8.91

-6.88
21 RMKMWGRRR

1.91

-8.64

-6.73
22 RRHIWGRRR

1.5

-8.09

-6.59
23 RMRMWGRRR

2.29

-8.73

-6.44
24 RRRIWGRRR

2.1

-8.44

-6.34
25 RRRMWGRRR

1.76

-8.04

-6.28
26 RMPMWGRRR

1.5

-7.61

-6.11
27 RMPIWGRRR

2.19

-7.93

-5.74
28 RMHIWGRRR

1.55

-7.12

-5.57
29 RMRVWGRRR

2.03

-7.59

-5.56
30 RMHMWGRRR

1.8

-7.0

-5.2

 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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