Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1RUW-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A G 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 3.025 ΔGbinding 4.710
TOTAL
 7.735
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.869
Van der Waals -3.660 Backbone clash 3.352
Electrostatics 0.077 Helix dipole 0.000
Solvation Polar 5.564 Water bridges -0.026
Solvation Hyd -4.434 Disulfide 0.000
VdW clashes 6.024 Electrost. Kon 0.110
Entropy sc 0.987 Part.cov.bonds 0.000
Entropy mc

3.024

 ΔGstability

16.239
       

Predicted ligand sequences for model [MYO3_1RUW-7.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_1RUW-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MMPRMPWR 0.0
2 RMPRMPWR 0.07
3 MMDRMPWR 0.1
4 MLPRMPWR 0.11
5 MMPRWPWR 0.14
6 RMDRMPWR 0.17
7 RLPRMPWR 0.17
8 MMPRIPWR 0.18
9 MMPRMEWR 0.2
10 RMPRWPWR 0.2
11 MMPRMPWG 0.21
12 MMPRMPWK 0.21
13 MLDRMPWR 0.21
14 MRPRMPWR 0.22
15 KMPRMPWR 0.23
16 RMPRIPWR 0.24
17 MLPRWPWR 0.24
18 MMDRWPWR 0.24
19 RMPRMEWR 0.26
20 MMHRMPWR 0.27
21 MMDRIPWR 0.28
22 RLDRMPWR 0.28
23 MLPRIPWR 0.28
24 RMPRMPWG 0.28
25 RMPRMPWK 0.28
26 RRPRMPWR 0.29
27 MMDRMEWR 0.3
28 MLPRMEWR 0.3
29 RLPRWPWR 0.31
30 RMDRWPWR 0.31
31 MRDRMPWR 0.32
32 MMPRMMWR 0.32
33 MLPRMPWG 0.32
34 MLPRMPWK 0.32
35 MMDRMPWK 0.32
36 MMDRMPWG 0.32
37 MMPRWEWR 0.33
38 RMHRMPWR 0.33
39 KMDRMPWR 0.34
40 KLPRMPWR 0.34
41 MLDRWPWR 0.35
42 MMPRWPWK 0.35
43 MMPRWPWG 0.35
44 RMDRIPWR 0.35
45 MRPRWPWR 0.35
46 RLPRIPWR 0.35
47 MLHRMPWR 0.37
48 MMPRIEWR 0.37
49 KMPRWPWR 0.37
50 RMDRMEWR 0.37
51 RLPRMEWR 0.37
52 RMDRMPWG 0.38
53 RLPRMPWG 0.39
54 RRDRMPWR 0.39
55 RMDRMPWK 0.39
56 MLDRIPWR 0.39
57 RMPRMMWR 0.39
58 RLPRMPWK 0.39
59 MMPRIPWG 0.39
60 MMPRIPWK 0.39
61 MRPRIPWR 0.4
62 RMPRWEWR 0.4
63 MMHRWPWR 0.4
64 MMPRMEWG 0.41
65 MMPRMEWK 0.41
66 KMPRIPWR 0.41
67 RLDRWPWR 0.41
68 MLDRMEWR 0.41
69 RRPRWPWR 0.42
70 MRPRMEWR 0.42
71 MMDRMMWR 0.42
72 RMPRWPWG 0.42
73 RMPRWPWK 0.42
74 MLDRMPWG 0.42
75 MLPRMMWR 0.43
76 KMPRMEWR 0.43
77 MRPRMPWK 0.43
78 MRPRMPWG 0.43
79 MLDRMPWK 0.43
80 MMDRWEWR 0.44
81 KLDRMPWR 0.44
82 KMPRMPWG 0.44
83 RMPRIEWR 0.44
84 MMHRIPWR 0.44
85 RLHRMPWR 0.44
86 MLPRWEWR 0.44
87 KMPRMPWK 0.45
88 RLDRIPWR 0.45
89 MLPRWPWG 0.45
90 MMDRWPWG 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMPRMPWG

1.43

-6.07

-4.64
2 MLPRMPWR

1.61

-5.62

-4.01
3 MMPRMPWK

1.93

-5.59

-3.66
4 KMPRMPWR

1.76

-5.36

-3.6
5 RLPRMPWR

1.62

-5.17

-3.55
6 MMDRMPWR

1.7

-5.25

-3.55
7 MMPRMEWR

1.95

-5.49

-3.54
8 RMPRMPWK

1.72

-5.18

-3.46
9 RLPRWPWR

1.92

-5.18

-3.26
10 MLDRMPWR

2.16

-5.37

-3.21
11 MRPRMPWR

1.66

-4.81

-3.15
12 RMPRMPWG

1.79

-4.82

-3.03
13 RMPRWPWR

2.11

-5.14

-3.03
14 MMHRMPWR

1.71

-4.73

-3.02
15 MLPRWPWR

1.77

-4.78

-3.01
16 MMPRMPWR

2.62

-5.52

-2.9
17 RRPRMPWR

1.86

-4.71

-2.85
18 RMPRIPWR

2.46

-5.25

-2.79
19 RMPRMPWR

2.34

-5.07

-2.73
20 MMDRWPWR

2.28

-4.79

-2.51
21 MMPRIPWR

3.18

-5.62

-2.44
22 MMDRMEWR

2.41

-4.85

-2.44
23 MLPRMEWR

2.48

-4.74

-2.26
24 RMPRMEWR

2.38

-4.59

-2.21
25 RMDRMPWR

2.41

-4.44

-2.03
26 MMPRWPWR

3.24

-5.21

-1.97
27 RLDRMPWR

2.65

-4.51

-1.86
28 RMDRWPWR

2.83

-4.08

-1.25
29 MMDRIPWR

3.39

-4.48

-1.09
30 MLPRIPWR

4.0

-5.06

-1.06

 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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