Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_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 4.068 ΔGbinding -2.231
TOTAL
 1.837
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.170
Van der Waals -1.618 Backbone clash 0.000
Electrostatics -0.103 Helix dipole 0.000
Solvation Polar 1.620 Water bridges 0.000
Solvation Hyd -2.597 Disulfide 0.000
VdW clashes 0.023 Electrost. Kon -0.155
Entropy sc 0.358 Part.cov.bonds 0.000
Entropy mc

1.347

 ΔGstability

47.559
       

Predicted ligand sequences for model [BUD14_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).
 
  BUD14_1SEM-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLWPRF 0.0
2 RPLWPRM 0.08
3 HPLWPRF 0.1
4 RKLWPRF 0.12
5 WPLWPRF 0.13
6 RPLWRRF 0.16
7 HPLWPRM 0.18
8 RKLWPRM 0.2
9 HKLWPRF 0.22
10 LPLWPRF 0.22
11 WPLWPRM 0.22
12 RRLWPRF 0.24
13 RPLWRRM 0.24
14 WKLWPRF 0.26
15 HPLWRRF 0.26
16 RKLWRRF 0.28
17 HKLWPRM 0.3
18 LPLWPRM 0.3
19 WPLWRRF 0.3
20 RRLWPRM 0.32
21 RPLWERF 0.34
22 LKLWPRF 0.34
23 WKLWPRM 0.34
24 HRLWPRF 0.34
25 HPLWRRM 0.34
26 RPLWHRF 0.36
27 RKLWRRM 0.36
28 HKLWRRF 0.38
29 WRLWPRF 0.38
30 WPLWRRM 0.38
31 LPLWRRF 0.39
32 RHLWPRF 0.39
33 RRLWRRF 0.41
34 RPLWERM 0.42
35 LKLWPRM 0.42
36 HRLWPRM 0.42
37 WKLWRRF 0.42
38 RPLWPRL 0.43
39 HPLWERF 0.44
40 RPLWHRM 0.45
41 RKLWERF 0.46
42 HKLWRRM 0.46
43 HPLWHRF 0.46
44 WRLWPRM 0.46
45 LPLWRRM 0.47
46 RHLWPRM 0.47
47 LRLWPRF 0.47
48 WPLWERF 0.48
49 RKLWHRF 0.48
50 HHLWPRF 0.49
51 RRLWRRM 0.49
52 WPLWHRF 0.5
53 HRLWRRF 0.5
54 WKLWRRM 0.5
55 LKLWRRF 0.51
56 HPLWERM 0.52
57 WHLWPRF 0.53
58 HPLWPRL 0.53
59 RKLWERM 0.54
60 HPLWHRM 0.54
61 WRLWRRF 0.54
62 RKLWPRL 0.55
63 RHLWRRF 0.55
64 LRLWPRM 0.55
65 WPLWERM 0.56
66 HKLWERF 0.56
67 HHLWPRM 0.57
68 RKLWHRM 0.57
69 LPLWERF 0.57
70 WPLWPRL 0.57
71 WPLWHRM 0.58
72 RRLWERF 0.58
73 HKLWHRF 0.58
74 HRLWRRM 0.58
75 LKLWRRM 0.59
76 LPLWHRF 0.59
77 WKLWERF 0.6
78 RPLWRRL 0.6
79 LHLWPRF 0.61
80 RRLWHRF 0.61
81 WHLWPRM 0.61
82 WRLWRRM 0.62
83 WKLWHRF 0.62
84 LRLWRRF 0.63
85 RHLWRRM 0.64
86 HKLWERM 0.64
87 HHLWRRF 0.65
88 HKLWPRL 0.65
89 LPLWERM 0.65
90 HKLWHRM 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLWRRM

1.45

-9.84

-8.39
2 WKLWPRM

2.1

-10.27

-8.17
3 RPLWPRM

1.61

-9.76

-8.15
4 RPLWERF

1.94

-9.98

-8.04
5 RPLWPRF

1.96

-9.62

-7.66
6 RKLWPRM

2.06

-9.61

-7.55
7 RKLWRRF

1.92

-9.26

-7.34
8 LPLWPRF

2.31

-9.65

-7.34
9 RRLWPRM

1.95

-9.13

-7.18
10 RKLWRRM

2.01

-9.19

-7.18
11 HPLWRRM

2.0

-9.16

-7.16
12 LPLWPRM

2.17

-9.32

-7.15
13 RPLWHRF

2.01

-9.15

-7.14
14 RRLWPRF

2.2

-9.19

-6.99
15 RKLWPRF

2.21

-9.02

-6.81
16 RPLWRRF

1.71

-8.44

-6.73
17 LKLWPRF

2.38

-8.98

-6.6
18 WPLWPRM

2.38

-8.94

-6.56
19 WRLWPRF

2.41

-8.86

-6.45
20 HKLWPRM

1.59

-7.84

-6.25
21 WPLWRRF

2.5

-8.59

-6.09
22 HRLWPRF

2.15

-8.23

-6.08
23 HPLWRRF

2.19

-8.27

-6.08
24 HPLWPRF

2.27

-8.22

-5.95
25 WPLWPRF

2.98

-8.91

-5.93
26 WKLWPRF

2.88

-8.7

-5.82
27 HPLWPRM

2.64

-8.23

-5.59
28 WPLWRRM

3.33

-8.66

-5.33
29 HKLWRRF

2.07

-7.31

-5.24
30 HKLWPRF

2.09

-7.3

-5.21

 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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