Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-9.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 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 0.718 ΔGbinding -3.456
TOTAL
 -2.738
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.470
Van der Waals -3.712 Backbone clash 0.005
Electrostatics 0.118 Helix dipole 0.000
Solvation Polar 4.249 Water bridges -0.062
Solvation Hyd -4.717 Disulfide 0.000
VdW clashes 0.044 Electrost. Kon 0.147
Entropy sc 1.018 Part.cov.bonds 0.000
Entropy mc

2.814

 ΔGstability

19.998
       

Predicted ligand sequences for model [RVS167_FMK-SSH-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRYIHPWK 0.0
2 YRRIHPWK 0.08
3 YRYIHPFK 0.09
4 YRYIHRWK 0.16
5 YRRIHPFK 0.17
6 YRYIHPMK 0.18
7 RRYIHPWK 0.2
8 YRYIHLWK 0.2
9 YDYIHPWK 0.22
10 YRRIHRWK 0.24
11 YRPIHPWK 0.25
12 YRRIHPMK 0.26
13 YRYIHRFK 0.26
14 YRRIHLWK 0.28
15 RRRIHPWK 0.28
16 YRYIHLFK 0.29
17 RRYIHPFK 0.29
18 YDRIHPWK 0.3
19 FRYIHPWK 0.31
20 YDYIHPFK 0.31
21 YRYIHRMK 0.34
22 YRRIHRFK 0.34
23 YRPIHPFK 0.34
24 YPYIHPWK 0.36
25 RRYIHRWK 0.36
26 YRRIHLFK 0.37
27 YRYIHLMK 0.38
28 RRRIHPFK 0.38
29 YDYIHRWK 0.38
30 YRYIHPWY 0.38
31 RRYIHPMK 0.38
32 FRRIHPWK 0.39
33 YDRIHPFK 0.39
34 RRYIHLWK 0.4
35 YDYIHPMK 0.4
36 FRYIHPFK 0.4
37 YRYIHPWW 0.41
38 RDYIHPWK 0.42
39 YRPIHRWK 0.42
40 YDYIHLWK 0.42
41 YRRIHRMK 0.43
42 YRPIHPMK 0.43
43 YPRIHPWK 0.44
44 RRRIHRWK 0.45
45 YPYIHPFK 0.45
46 YRPIHLWK 0.45
47 RRPIHPWK 0.45
48 YDRIHRWK 0.46
49 YRRIHLMK 0.46
50 YRRIHPWY 0.46
51 RRYIHRFK 0.46
52 YDPIHPWK 0.47
53 YRYIHPFY 0.47
54 YDYIHRFK 0.47
55 RRRIHPMK 0.47
56 FRYIHRWK 0.47
57 RRRIHLWK 0.48
58 YDRIHPMK 0.48
59 FRYIHPMK 0.49
60 YRRIHPWW 0.49
61 FRRIHPFK 0.49
62 RRYIHLFK 0.49
63 RDRIHPWK 0.5
64 YRYIHPFW 0.5
65 YDRIHLWK 0.5
66 RDYIHPFK 0.51
67 YDYIHLFK 0.51
68 YRPIHRFK 0.51
69 FRYIHLWK 0.51
70 YPYIHRWK 0.52
71 FDYIHPWK 0.53
72 YPRIHPFK 0.53
73 RRRIHRFK 0.54
74 YRYIHRWY 0.54
75 YRPIHLFK 0.54
76 YPYIHPMK 0.54
77 YDRIHRFK 0.55
78 RRYIHRMK 0.55
79 RRPIHPFK 0.55
80 YRRIHPFY 0.55
81 FRPIHPWK 0.56
82 YRYIHPMY 0.56
83 YPYIHLWK 0.56
84 YDPIHPFK 0.56
85 FRRIHRWK 0.56
86 RPYIHPWK 0.56
87 YDYIHRMK 0.56
88 YRYIHRWW 0.57
89 RRRIHLFK 0.57
90 FRYIHRFK 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YRRIHRFK

1.77

-9.67

-7.9
2 YRPIHPFK

1.92

-8.96

-7.04
3 YRRIHPFK

1.64

-8.65

-7.01
4 YDYIHPFK

1.71

-8.47

-6.76
5 YDRIHPWK

3.6

-10.21

-6.61
6 YRRIHPMK

1.78

-8.3

-6.52
7 YRYIHPWK

2.51

-8.99

-6.48
8 YRYIHPFK

1.95

-8.4

-6.45
9 YRRIHPWK

2.67

-9.12

-6.45
10 YRYIHLMK

2.19

-8.6

-6.41
11 YRRIHLFK

1.94

-8.3

-6.36
12 YRYIHPMK

1.65

-7.96

-6.31
13 YRYIHRFK

2.13

-8.21

-6.08
14 YPYIHPWK

3.66

-9.73

-6.07
15 YDYIHRWK

2.44

-8.39

-5.95
16 RRYIHRWK

3.08

-8.95

-5.87
17 YRYIHRMK

1.88

-7.72

-5.84
18 RRYIHPFK

1.97

-7.73

-5.76
19 YRRIHRWK

2.82

-8.51

-5.69
20 RRRIHPFK

1.87

-7.54

-5.67
21 YRPIHPWK

3.06

-8.72

-5.66
22 YRYIHRWK

2.18

-7.66

-5.48
23 YRYIHLFK

1.84

-7.32

-5.48
24 YDYIHPWK

2.16

-7.56

-5.4
25 YRYIHLWK

2.38

-7.66

-5.28
26 RRRIHPWK

2.43

-7.54

-5.11
27 FRYIHPWK

2.39

-7.39

-5.0
28 YRRIHLWK

2.39

-7.09

-4.7
29 RRYIHPWK

3.41

-7.67

-4.26
30 YRYIHPWY

3.23

-7.33

-4.1

 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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