Predicted ligand sequences (modelled structure)


ADAN-name: MYO5_1VA7-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 4.029 ΔGbinding 1.415
TOTAL
 5.444
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.886
Van der Waals -3.417 Backbone clash 0.021
Electrostatics 0.116 Helix dipole 0.000
Solvation Polar 3.988 Water bridges -0.000
Solvation Hyd -4.360 Disulfide 0.000
VdW clashes 0.985 Electrost. Kon 0.131
Entropy sc 0.221 Part.cov.bonds 0.000
Entropy mc

2.867

 ΔGstability

14.690
       

Predicted ligand sequences for model [MYO5_1VA7-11.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).
 
  MYO5_1VA7-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMWIPPR 0.0
2 RMPIPPR 0.03
3 YMWIPPR 0.04
4 YMPIPPR 0.08
5 RMWMPPR 0.09
6 RKWIPPR 0.11
7 RMPMPPR 0.12
8 YMWMPPR 0.13
9 RKPIPPR 0.15
10 YKWIPPR 0.16
11 REWIPPR 0.16
12 RMWIPGR 0.17
13 YMPMPPR 0.17
14 YKPIPPR 0.19
15 REPIPPR 0.19
16 RMPIPGR 0.2
17 RKWMPPR 0.2
18 YEWIPPR 0.21
19 YMWIPGR 0.22
20 RMWIPSR 0.23
21 RKPMPPR 0.23
22 YEPIPPR 0.24
23 YKWMPPR 0.24
24 YMPIPGR 0.25
25 REWMPPR 0.25
26 RMPIPSR 0.26
27 RMWMPGR 0.26
28 RMRIPPR 0.27
29 YMWIPSR 0.27
30 RKWIPGR 0.28
31 REPMPPR 0.28
32 YKPMPPR 0.28
33 RMPMPGR 0.29
34 YEWMPPR 0.29
35 YMPIPSR 0.3
36 YMWMPGR 0.3
37 YMRIPPR 0.31
38 RMWMPSR 0.31
39 RKPIPGR 0.32
40 YKWIPGR 0.33
41 YEPMPPR 0.33
42 REWIPGR 0.33
43 YMPMPGR 0.34
44 RKWIPSR 0.34
45 RMPMPSR 0.35
46 REPIPGR 0.36
47 RMRMPPR 0.36
48 YMWMPSR 0.36
49 YKPIPGR 0.36
50 RKWMPGR 0.37
51 RKPIPSR 0.37
52 RKRIPPR 0.38
53 YKWIPSR 0.38
54 YEWIPGR 0.38
55 YMPMPSR 0.39
56 REWIPSR 0.39
57 YMRMPPR 0.4
58 RKPMPGR 0.4
59 YEPIPGR 0.41
60 YKPIPSR 0.42
61 REPIPSR 0.42
62 YKWMPGR 0.42
63 REWMPGR 0.42
64 YEWIPSR 0.43
65 RERIPPR 0.43
66 YKRIPPR 0.43
67 RKWMPSR 0.43
68 RMRIPGR 0.44
69 YKPMPGR 0.45
70 REPMPGR 0.45
71 YEPIPSR 0.46
72 RKPMPSR 0.46
73 RMWLPPR 0.46
74 YEWMPGR 0.46
75 YKWMPSR 0.47
76 RKRMPPR 0.47
77 REWMPSR 0.47
78 YERIPPR 0.47
79 YMRIPGR 0.48
80 RMRIPSR 0.49
81 RMPLPPR 0.49
82 YEPMPGR 0.5
83 YKPMPSR 0.5
84 REPMPSR 0.51
85 YMWLPPR 0.51
86 YKRMPPR 0.51
87 YEWMPSR 0.52
88 RERMPPR 0.52
89 RMRMPGR 0.53
90 YMPLPPR 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKPMPPR

3.32

-8.54

-5.22
2 RMPMPPR

2.76

-7.93

-5.17
3 YMPMPPR

2.66

-7.57

-4.91
4 RKPIPPR

2.52

-7.25

-4.73
5 REWIPPR

2.78

-7.49

-4.71
6 RMPIPGR

2.52

-7.11

-4.59
7 RMWIPPR

2.67

-7.16

-4.49
8 RMWMPPR

3.26

-7.7

-4.44
9 REPIPPR

2.78

-7.15

-4.37
10 REWMPPR

2.53

-6.88

-4.35
11 YMWMPPR

3.13

-7.43

-4.3
12 RMPIPPR

3.12

-7.36

-4.24
13 YKWMPPR

2.87

-7.09

-4.22
14 YMPIPPR

2.53

-6.73

-4.2
15 RKWIPPR

2.86

-7.03

-4.17
16 RMRIPPR

3.56

-7.61

-4.05
17 YKPIPPR

2.56

-6.56

-4.0
18 RMPIPSR

2.74

-6.73

-3.99
19 YKWIPPR

2.58

-6.48

-3.9
20 YEPIPPR

3.17

-6.98

-3.81
21 RMWIPSR

3.11

-6.85

-3.74
22 RMWMPGR

2.71

-6.32

-3.61
23 RKWMPPR

3.12

-6.59

-3.47
24 YMPIPGR

3.14

-6.4

-3.26
25 YMWIPPR

3.57

-6.62

-3.05
26 YMWIPSR

3.36

-6.11

-2.75
27 RMWIPGR

3.51

-6.15

-2.64
28 YEWIPPR

3.61

-6.2

-2.59
29 YMWIPGR

3.42

-5.74

-2.32
30 RKWIPGR

3.56

-5.38

-1.82

 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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