Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1SEM-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    

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Intraclash 3.136 ΔGbinding -2.318
TOTAL
 0.818
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.232
Van der Waals -1.974 Backbone clash 0.000
Electrostatics -0.113 Helix dipole 0.000
Solvation Polar 1.988 Water bridges 0.000
Solvation Hyd -3.100 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon -0.140
Entropy sc 0.522 Part.cov.bonds 0.000
Entropy mc

1.512

 ΔGstability

41.838
       

Predicted ligand sequences for model [BEM1-D2_1SEM-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).
 
  BEM1-D2_1SEM-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLRPWM 0.0
2 RELRPWM 0.08
3 RPLRRWM 0.1
4 RPLRPRM 0.11
5 RRLRPWM 0.14
6 RPLRPMM 0.14
7 RELRRWM 0.18
8 RELRPRM 0.19
9 RELRPMM 0.21
10 RPLRRRM 0.21
11 RRLRPRM 0.24
12 RPLRRMM 0.24
13 RRLRRWM 0.24
14 RRLRPMM 0.27
15 RPLRPWF 0.28
16 RELRRRM 0.29
17 RELRRMM 0.32
18 RRLRRRM 0.35
19 RELRPWF 0.36
20 RPLRRWF 0.38
21 RRLRRMM 0.38
22 RPLRKWM 0.38
23 RPLRPRF 0.39
24 RRLRPWF 0.42
25 RPLRPMF 0.42
26 RELRRWF 0.46
27 RELRKWM 0.46
28 WPLRPWM 0.46
29 RELRPRF 0.47
30 RPLRKRM 0.49
31 RPLRRRF 0.49
32 RELRPMF 0.5
33 RPLRKMM 0.52
34 RPLRRMF 0.52
35 RRLRKWM 0.52
36 RRLRRWF 0.52
37 RRLRPRF 0.53
38 WELRPWM 0.54
39 RRLRPMF 0.55
40 WPLRRWM 0.56
41 RELRRRF 0.57
42 WPLRPRM 0.57
43 RELRKRM 0.57
44 WRLRPWM 0.59
45 RELRKMM 0.59
46 WPLRPMM 0.6
47 RELRRMF 0.6
48 RRLRRRF 0.63
49 RRLRKRM 0.63
50 WELRRWM 0.64
51 WELRPRM 0.65
52 RRLRKMM 0.65
53 RRLRRMF 0.66
54 RPLRKWF 0.66
55 WPLRRRM 0.67
56 WELRPMM 0.67
57 WRLRRWM 0.7
58 WRLRPRM 0.7
59 WPLRRMM 0.7
60 WRLRPMM 0.73
61 RELRKWF 0.74
62 WPLRPWF 0.74
63 WELRRRM 0.75
64 RPLRKRF 0.77
65 WELRRMM 0.78
66 RPLRKMF 0.8
67 RRLRKWF 0.8
68 WRLRRRM 0.81
69 WELRPWF 0.82
70 WRLRRMM 0.83
71 WPLRKWM 0.84
72 WPLRRWF 0.84
73 WPLRPRF 0.85
74 RELRKRF 0.85
75 WPLRPMF 0.88
76 WRLRPWF 0.88
77 RELRKMF 0.88
78 RRLRKRF 0.91
79 WELRRWF 0.92
80 WELRKWM 0.92
81 WELRPRF 0.93
82 RRLRKMF 0.94
83 WPLRRRF 0.95
84 WPLRKRM 0.95
85 WELRPMF 0.96
86 WRLRRWF 0.98
87 WPLRRMF 0.98
88 WPLRKMM 0.98
89 WRLRKWM 0.98
90 WRLRPRF 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RELRRWM

2.91

-10.66

-7.75
2 RELRPMM

2.54

-10.24

-7.7
3 RRLRRWM

2.02

-9.69

-7.67
4 RPLRRWM

2.96

-10.48

-7.52
5 RELRPWM

2.66

-10.13

-7.47
6 RELRRRM

2.77

-10.08

-7.31
7 RPLRPRM

2.43

-9.57

-7.14
8 RPLRRMM

2.44

-9.41

-6.97
9 RPLRPMM

2.86

-9.79

-6.93
10 RELRPRM

2.79

-9.48

-6.69
11 RPLRKWM

2.58

-9.25

-6.67
12 RPLRPWF

2.49

-9.15

-6.66
13 RPLRPWM

2.52

-9.14

-6.62
14 RELRRWF

2.66

-9.22

-6.56
15 RELRPRF

2.61

-9.13

-6.52
16 WPLRPWM

2.3

-8.74

-6.44
17 RPLRRRM

2.74

-9.12

-6.38
18 RRLRRMM

2.49

-8.86

-6.37
19 RPLRPMF

2.91

-9.26

-6.35
20 RRLRPMM

3.4

-9.71

-6.31
21 RELRKWM

2.61

-8.71

-6.1
22 RELRRMM

2.38

-8.44

-6.06
23 RELRPWF

2.63

-8.66

-6.03
24 RRLRRRM

2.8

-8.82

-6.02
25 RRLRPWM

3.46

-9.46

-6.0
26 RRLRPRM

2.96

-8.92

-5.96
27 RPLRRWF

2.4

-8.34

-5.94
28 RPLRKRM

2.62

-8.27

-5.65
29 RRLRPWF

3.06

-8.62

-5.56
30 RPLRPRF

2.55

-7.85

-5.3

 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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