Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-1.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 0.102 ΔGbinding -5.014
TOTAL
 -4.912
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.995
Van der Waals -4.633 Backbone clash 0.343
Electrostatics -0.240 Helix dipole 0.000
Solvation Polar 5.149 Water bridges 0.000
Solvation Hyd -6.516 Disulfide 0.000
VdW clashes 0.064 Electrost. Kon -0.317
Entropy sc 0.871 Part.cov.bonds 0.000
Entropy mc

2.163

 ΔGstability

4.945
       

Predicted ligand sequences for model [MYO3_1YP5-1.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_1YP5-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 VMRRRHMRRY 0.0
2 VMRRRPMRRY 0.04
3 NMRRRHMRRY 0.04
4 VMRRRHWRRY 0.05
5 VMKRRHMRRY 0.08
6 NMRRRPMRRY 0.08
7 NMRRRHWRRY 0.09
8 VMSRRHMRRY 0.1
9 VMRRRPWRRY 0.1
10 VMRRRHMKRY 0.11
11 VMKRRPMRRY 0.12
12 VRRRRHMRRY 0.12
13 NMKRRHMRRY 0.12
14 NMRRRPWRRY 0.13
15 VMKRRHWRRY 0.13
16 NMSRRHMRRY 0.14
17 VMRRRPMKRY 0.15
18 VMSRRPMRRY 0.15
19 NMRRRHMKRY 0.15
20 VMRRRHMPRY 0.15
21 NRRRRHMRRY 0.16
22 VMRLRHMRRY 0.16
23 VMSRRHWRRY 0.16
24 NMKRRPMRRY 0.16
25 VMRRRHMRRF 0.17
26 VRRRRPMRRY 0.17
27 VMKRRPWRRY 0.17
28 NMKRRHWRRY 0.17
29 VMRRRHWKRY 0.17
30 NMSRRPMRRY 0.18
31 VRRRRHWRRY 0.18
32 NMRRRPMKRY 0.19
33 VMRRRPMPRY 0.19
34 VMKRRHMKRY 0.19
35 NMRRRHMPRY 0.19
36 VMRRRHMRRH 0.2
37 VMSRRPWRRY 0.2
38 VRKRRHMRRY 0.2
39 VMRRRHWPRY 0.2
40 NMSRRHWRRY 0.2
41 VMRLRPMRRY 0.2
42 NMRLRHMRRY 0.2
43 NRRRRPMRRY 0.2
44 VMRLRHWRRY 0.21
45 VMRRRPWKRY 0.21
46 VMRRRPMRRF 0.21
47 NMRRRHMRRF 0.21
48 NMRRRHWKRY 0.21
49 NMKRRPWRRY 0.21
50 NRRRRHWRRY 0.22
51 VRRRRPWRRY 0.22
52 VMSRRHMKRY 0.22
53 VMRRRHWRRF 0.22
54 NMRRRPMPRY 0.23
55 VMKRRHMPRY 0.23
56 VMKRRPMKRY 0.23
57 VRSRRHMRRY 0.23
58 NMRRRHMRRH 0.23
59 NMKRRHMKRY 0.23
60 NMRLRPMRRY 0.24
61 NMRRRHWPRY 0.24
62 NRKRRHMRRY 0.24
63 VMRRRPMRRH 0.24
64 NMSRRPWRRY 0.24
65 VMKLRHMRRY 0.24
66 VMRRRPWPRY 0.24
67 VRRRRHMKRY 0.24
68 NMRRRPMRRF 0.25
69 NMRRRPWKRY 0.25
70 VMKRRHMRRF 0.25
71 NMRLRHWRRY 0.25
72 VMRRRHWRRH 0.25
73 VRKRRPMRRY 0.25
74 VMSRRHMPRY 0.25
75 VMKRRHWKRY 0.25
76 VRKRRHWRRY 0.26
77 VMRLRPWRRY 0.26
78 NMSRRHMKRY 0.26
79 NMRRRHWRRF 0.26
80 VMSRRPMKRY 0.26
81 NRRRRPWRRY 0.26
82 VMSLRHMRRY 0.27
83 VRRRRHMPRY 0.27
84 VRSRRPMRRY 0.27
85 NMKRRHMPRY 0.27
86 VMSRRHWKRY 0.27
87 NRSRRHMRRY 0.27
88 VMRLRHMKRY 0.27
89 NMKRRPMKRY 0.27
90 VMKRRPMPRY 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 VMRRRPMRRY

2.28

-12.98

-10.7
2 VMSRRPMRRY

1.54

-11.83

-10.29
3 NMKRRPMRRY

1.32

-11.56

-10.24
4 NMRRRPMRRY

1.37

-11.54

-10.17
5 VMKRRPMRRY

1.35

-11.31

-9.96
6 NMSRRPMRRY

1.06

-10.9

-9.84
7 NMRRRHMRRY

1.4

-11.05

-9.65
8 VMRRRPMKRY

1.47

-10.94

-9.47
9 NMRRRPWRRY

1.39

-10.48

-9.09
10 VMRRRHMRRF

1.74

-10.46

-8.72
11 VMRRRPWRRY

1.53

-10.07

-8.54
12 VMRRRHMRRY

1.76

-9.89

-8.13
13 VMSRRHMRRY

2.3

-10.38

-8.08
14 VRRRRPMRRY

1.42

-9.27

-7.85
15 NMKRRHMRRY

1.61

-9.32

-7.71
16 VMRLRHMRRY

2.42

-10.12

-7.7
17 VMKRRPWRRY

1.36

-8.99

-7.63
18 NMRRRHMKRY

1.46

-9.08

-7.62
19 VMRRRHMKRY

2.0

-9.55

-7.55
20 VMKRRHWRRY

1.71

-9.04

-7.33
21 VMRRRHMPRY

1.79

-9.11

-7.32
22 NMSRRHMRRY

1.43

-8.6

-7.17
23 VMRRRHWKRY

2.44

-9.57

-7.13
24 VMRRRHWRRY

1.84

-8.87

-7.03
25 NRRRRHMRRY

1.41

-8.26

-6.85
26 VMKRRHMRRY

1.66

-8.47

-6.81
27 NMKRRHWRRY

1.46

-8.07

-6.61
28 NMRRRHWRRY

1.52

-8.08

-6.56
29 VRRRRHMRRY

1.76

-8.1

-6.34
30 VMSRRHWRRY

1.67

-7.78

-6.11

 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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