Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-23.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    

(Help)

Intraclash 2.935 ΔGbinding -0.566
TOTAL
 2.369
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.192
Van der Waals -1.802 Backbone clash 0.000
Electrostatics -0.087 Helix dipole 0.000
Solvation Polar 1.791 Water bridges -0.007
Solvation Hyd -2.443 Disulfide 0.000
VdW clashes 0.290 Electrost. Kon -0.103
Entropy sc 0.239 Part.cov.bonds 0.000
Entropy mc

1.364

 ΔGstability

27.736
       

Predicted ligand sequences for model [RVS167_FMK-SSH-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPLMPWF 0.0
2 RPLMPWF 0.09
3 MPMMPWF 0.12
4 MRLMPWF 0.13
5 MPLMRWF 0.14
6 MPLMPWL 0.18
7 MPLMEWF 0.2
8 MPLMPYF 0.21
9 RPMMPWF 0.21
10 RRLMPWF 0.22
11 MKLMPWF 0.22
12 RPLMRWF 0.23
13 MPRMPWF 0.24
14 MPMMRWF 0.25
15 MRMMPWF 0.25
16 RPLMPWL 0.27
17 MRLMRWF 0.27
18 RPLMEWF 0.29
19 RPLMPYF 0.3
20 MPLMPWW 0.3
21 MPMMPWL 0.3
22 MRLMPWL 0.31
23 MPLMRWL 0.31
24 RKLMPWF 0.32
25 MPMMEWF 0.32
26 MRLMEWF 0.33
27 MPMMPYF 0.33
28 RPRMPWF 0.33
29 MPLMPRF 0.33
30 MRLMPYF 0.34
31 MPLMRYF 0.34
32 MKMMPWF 0.34
33 RRMMPWF 0.34
34 RPMMRWF 0.35
35 MKLMRWF 0.36
36 RRLMRWF 0.36
37 MRRMPWF 0.37
38 MPRMRWF 0.38
39 MPLMEWL 0.38
40 MRMMRWF 0.38
41 RPLMPWW 0.39
42 RPMMPWL 0.39
43 MPLMPYL 0.39
44 MKLMPWL 0.4
45 RRLMPWL 0.4
46 RPMMEWF 0.41
47 MPLMEYF 0.41
48 RPLMRWL 0.41
49 RPMMPYF 0.42
50 RPLMPRF 0.42
51 MPRMPWL 0.42
52 RRLMEWF 0.42
53 MKLMEWF 0.42
54 MPMMPWW 0.42
55 MKLMPYF 0.43
56 MPMMRWL 0.43
57 MPLKPWF 0.43
58 MRLMPWW 0.43
59 RRLMPYF 0.43
60 RKMMPWF 0.43
61 MRMMPWL 0.43
62 MPRMEWF 0.44
63 MPMMPRF 0.44
64 RPLMRYF 0.44
65 MPLMRWW 0.44
66 RKLMRWF 0.45
67 MRMMEWF 0.45
68 MPRMPYF 0.45
69 MRLMRWL 0.45
70 MKRMPWF 0.46
71 MRLMPRF 0.46
72 MPMMRYF 0.46
73 MPLMRRF 0.46
74 MRMMPYF 0.46
75 MRLMRYF 0.47
76 RPRMRWF 0.47
77 RPLMEWL 0.47
78 MKMMRWF 0.47
79 RRRMPWF 0.47
80 RPLMPYL 0.48
81 RRMMRWF 0.48
82 RKLMPWL 0.49
83 MPMMEWL 0.49
84 RPLMEYF 0.5
85 MPLMEWW 0.5
86 MPLMPRL 0.5
87 MRLMEWL 0.51
88 MPMMPYL 0.51
89 RKLMEWF 0.51
90 RPRMPWL 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPLMRWF

1.96

-7.41

-5.45
2 MKLMPWF

1.57

-6.8

-5.23
3 MRLMPWL

1.91

-7.08

-5.17
4 MRLMRWF

2.1

-7.25

-5.15
5 MPMMRWF

1.77

-6.9

-5.13
6 MPLMPWL

1.89

-7.0

-5.11
7 MPMMPWL

1.9

-6.94

-5.04
8 RKLMPWF

1.74

-6.76

-5.02
9 MRLMPWF

1.92

-6.91

-4.99
10 RPLMEWF

1.57

-6.48

-4.91
11 MRMMPWF

1.51

-6.41

-4.9
12 MPLMRWL

2.15

-7.04

-4.89
13 MPLMEWF

1.79

-6.68

-4.89
14 MRLMEWF

1.64

-6.5

-4.86
15 MPLMPWF

2.05

-6.86

-4.81
16 MPLMPYF

1.84

-6.65

-4.81
17 RPLMPWL

1.9

-6.63

-4.73
18 MPLMPWW

1.83

-6.55

-4.72
19 MPMMPWF

2.12

-6.74

-4.62
20 MPRMPWF

1.87

-6.41

-4.54
21 RPLMRWF

2.13

-6.65

-4.52
22 RPMMPWF

2.58

-7.1

-4.52
23 MPMMEWF

2.31

-6.72

-4.41
24 MPMMPYF

1.63

-6.03

-4.4
25 MRLMPYF

2.2

-6.58

-4.38
26 RPLMPWF

2.43

-6.81

-4.38
27 RRLMPWF

2.9

-7.05

-4.15
28 MPLMPRF

2.28

-6.4

-4.12
29 RPRMPWF

2.3

-6.06

-3.76
30 RPLMPYF

3.22

-6.97

-3.75

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER