Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-14.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 1.928 ΔGbinding -1.886
TOTAL
 0.042
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.593
Van der Waals -3.581 Backbone clash 0.059
Electrostatics 0.156 Helix dipole 0.000
Solvation Polar 3.588 Water bridges -0.099
Solvation Hyd -5.170 Disulfide 0.000
VdW clashes 0.021 Electrost. Kon 0.181
Entropy sc 0.701 Part.cov.bonds 0.000
Entropy mc

4.275

 ΔGstability

27.606
       

Predicted ligand sequences for model [RVS167_FMK-SSH-14.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).
 
  RVS167_FMK-SSH-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 IWPMWWRRM 0.0
2 IWFMWWRRM 0.01
3 IWPMWWKRM 0.05
4 IWFMWWKRM 0.06
5 IWYMWWRRM 0.08
6 IWMMWWRRM 0.1
7 IWYMWWKRM 0.13
8 IWMMWWKRM 0.15
9 IWPMWWWRM 0.24
10 KWPMWWRRM 0.24
11 IWFMWWWRM 0.25
12 KWFMWWRRM 0.26
13 IWPMWWIRM 0.26
14 IWFMWWIRM 0.27
15 KWPMWWKRM 0.29
16 KWFMWWKRM 0.3
17 IWYMWWWRM 0.32
18 KWYMWWRRM 0.33
19 IWMMWWWRM 0.34
20 KWMMWWRRM 0.35
21 IWYMWWIRM 0.35
22 RWPMWWRRM 0.36
23 IWMMWWIRM 0.36
24 RWFMWWRRM 0.37
25 KWYMWWKRM 0.38
26 KWMMWWKRM 0.39
27 RWPMWWKRM 0.41
28 RWFMWWKRM 0.42
29 RWYMWWRRM 0.44
30 RWMMWWRRM 0.46
31 IWPMWWRRI 0.48
32 KWPMWWWRM 0.48
33 KWFMWWWRM 0.49
34 RWYMWWKRM 0.49
35 IWFMWWRRI 0.49
36 RWMMWWKRM 0.51
37 KWPMWWIRM 0.51
38 KWFMWWIRM 0.52
39 IWPMWWKRI 0.53
40 IWFMWWKRI 0.54
41 KWYMWWWRM 0.57
42 IWYMWWRRI 0.57
43 KWYMWWIRM 0.59
44 IWMMWWRRI 0.59
45 KWMMWWWRM 0.59
46 RWPMWWWRM 0.6
47 RWFMWWWRM 0.61
48 KWMMWWIRM 0.61
49 IWYMWWKRI 0.62
50 RWPMWWIRM 0.62
51 IWMMWWKRI 0.63
52 RWFMWWIRM 0.63
53 RWYMWWWRM 0.68
54 RWMMWWWRM 0.7
55 RWYMWWIRM 0.71
56 IWPMWWWRI 0.72
57 RWMMWWIRM 0.72
58 IWFMWWWRI 0.73
59 KWPMWWRRI 0.73
60 KWFMWWRRI 0.74
61 IWPMWWIRI 0.75
62 IWFMWWIRI 0.76
63 KWPMWWKRI 0.78
64 KWFMWWKRI 0.79
65 IWYMWWWRI 0.81
66 KWYMWWRRI 0.81
67 KWMMWWRRI 0.83
68 IWYMWWIRI 0.83
69 IWMMWWWRI 0.83
70 RWPMWWRRI 0.84
71 IWMMWWIRI 0.85
72 RWFMWWRRI 0.85
73 KWYMWWKRI 0.86
74 KWMMWWKRI 0.88
75 RWPMWWKRI 0.89
76 RWFMWWKRI 0.9
77 RWYMWWRRI 0.93
78 RWMMWWRRI 0.94
79 KWPMWWWRI 0.97
80 KWFMWWWRI 0.98
81 RWYMWWKRI 0.98
82 RWMMWWKRI 0.99
83 KWPMWWIRI 0.99
84 KWFMWWIRI 1.0
85 KWYMWWWRI 1.05
86 KWMMWWWRI 1.07
87 KWYMWWIRI 1.08
88 RWPMWWWRI 1.08
89 RWFMWWWRI 1.09
90 KWMMWWIRI 1.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RWMMWWRRM

3.36

-11.77

-8.41
2 KWYMWWRRM

2.44

-10.47

-8.03
3 RWFMWWKRM

2.64

-10.6

-7.96
4 KWFMWWRRM

3.18

-11.13

-7.95
5 KWMMWWRRM

2.84

-10.67

-7.83
6 IWMMWWKRM

3.61

-11.3

-7.69
7 RWYMWWRRM

3.08

-10.72

-7.64
8 KWFMWWKRM

2.99

-10.47

-7.48
9 IWYMWWIRM

2.87

-10.24

-7.37
10 KWMMWWKRM

2.8

-10.05

-7.25
11 KWPMWWRRM

2.96

-10.11

-7.15
12 IWPMWWIRM

3.73

-10.83

-7.1
13 KWYMWWKRM

3.24

-10.33

-7.09
14 IWFMWWKRM

3.1

-10.09

-6.99
15 RWFMWWRRM

3.42

-10.31

-6.89
16 IWMMWWIRM

3.73

-10.59

-6.86
17 KWPMWWKRM

3.96

-10.59

-6.63
18 IWPMWWKRM

3.17

-9.76

-6.59
19 IWPMWWRRM

3.45

-9.81

-6.36
20 IWYMWWKRM

2.79

-9.14

-6.35
21 IWYMWWRRM

3.01

-9.34

-6.33
22 IWYMWWWRM

3.55

-9.4

-5.85
23 RWPMWWRRM

3.74

-9.47

-5.73
24 IWFMWWRRM

3.36

-9.09

-5.73
25 RWPMWWKRM

3.34

-8.99

-5.65
26 IWFMWWWRM

3.28

-8.89

-5.61
27 IWMMWWRRM

4.48

-9.95

-5.47
28 IWMMWWWRM

2.73

-8.08

-5.35
29 IWFMWWIRM

3.39

-8.72

-5.33
30 IWPMWWWRM

3.66

-8.52

-4.86

 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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