Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-20.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
G
 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 4.373 ΔGbinding -3.122
TOTAL
 1.251
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.389
Van der Waals -4.527 Backbone clash 0.110
Electrostatics 0.073 Helix dipole 0.000
Solvation Polar 5.610 Water bridges -0.005
Solvation Hyd -6.440 Disulfide 0.000
VdW clashes 0.558 Electrost. Kon 0.265
Entropy sc 0.646 Part.cov.bonds 0.000
Entropy mc

3.359

 ΔGstability

28.989
       

Predicted ligand sequences for model [BUD14_1GCQ-20.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_1GCQ-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRFFIGMRW 0.0
2 MRYFIGMRW 0.01
3 MRPFIGMRW 0.02
4 MRFMIGMRW 0.03
5 MRYMIGMRW 0.04
6 MRPMIGMRW 0.05
7 MRKFIGMRW 0.09
8 MRFFIGKRW 0.09
9 MRPFIGKRW 0.1
10 MRYFIGKRW 0.1
11 MRFMIGKRW 0.11
12 MRKMIGMRW 0.11
13 MRYMIGKRW 0.12
14 MRPMIGKRW 0.13
15 MRFFIGRRW 0.13
16 MRYFIGRRW 0.14
17 MRPFIGRRW 0.14
18 MRFMIGRRW 0.15
19 MRYMIGRRW 0.16
20 MRKFIGKRW 0.17
21 MRPMIGRRW 0.17
22 MRFFIGLRW 0.19
23 MRKMIGKRW 0.2
24 MRYFIGLRW 0.2
25 MRKFIGRRW 0.21
26 MRPFIGLRW 0.21
27 MRFMIGLRW 0.22
28 MRFFFGMRW 0.22
29 MRYFFGMRW 0.23
30 MRYMIGLRW 0.23
31 MRPFFGMRW 0.24
32 MRKMIGRRW 0.24
33 MRPMIGLRW 0.24
34 MRFMFGMRW 0.25
35 MRYMFGMRW 0.26
36 MRFFTGMRW 0.26
37 MRPMFGMRW 0.27
38 MRYFTGMRW 0.27
39 MRKFIGLRW 0.28
40 MRPFTGMRW 0.28
41 MRFMTGMRW 0.29
42 MRYMTGMRW 0.3
43 MRKMIGLRW 0.3
44 MRKFFGMRW 0.31
45 MRFFFGKRW 0.31
46 MRPMTGMRW 0.31
47 MRFFMGMRW 0.32
48 MRYFFGKRW 0.32
49 MRPFFGKRW 0.33
50 MRYFMGMRW 0.33
51 MRKMFGMRW 0.34
52 MRFMFGKRW 0.34
53 MRPFMGMRW 0.34
54 MRYMFGKRW 0.35
55 MRYMMGMRW 0.35
56 MRKFTGMRW 0.35
57 MRFFFGRRW 0.35
58 MRFMMGMRW 0.35
59 MRFFTGKRW 0.35
60 MRPMMGMRW 0.36
61 MRYFTGKRW 0.36
62 MRPMFGKRW 0.36
63 MRYFFGRRW 0.36
64 MRPFFGRRW 0.37
65 MRPFTGKRW 0.37
66 MRFMTGKRW 0.38
67 MRFMFGRRW 0.38
68 MRKMTGMRW 0.38
69 MRYMTGKRW 0.39
70 MRFFTGRRW 0.39
71 MRYMFGRRW 0.39
72 MRKFMGMRW 0.4
73 MRYFTGRRW 0.4
74 MRPMFGRRW 0.4
75 MRPMTGKRW 0.4
76 MRKFFGKRW 0.4
77 MRYFMGKRW 0.41
78 MRFFMGKRW 0.41
79 MRPFTGRRW 0.41
80 MRFFFGLRW 0.42
81 MRKMFGKRW 0.42
82 MRYFFGLRW 0.42
83 MRFMTGRRW 0.42
84 MRPFMGKRW 0.42
85 MRKFTGKRW 0.43
86 MRPFFGLRW 0.43
87 MRFMMGKRW 0.43
88 MRPMTGRRW 0.43
89 MRYMTGRRW 0.43
90 MRKMMGMRW 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRFFIGMRW

3.72

-12.16

-8.44
2 MRFMIGMRW

3.66

-11.68

-8.02
3 MRFFFGMRW

3.01

-10.98

-7.97
4 MRYMIGKRW

3.88

-11.69

-7.81
5 MRKMIGMRW

3.16

-10.9

-7.74
6 MRPFIGLRW

4.13

-11.83

-7.7
7 MRFMIGRRW

4.67

-12.17

-7.5
8 MRKFIGMRW

3.37

-10.85

-7.48
9 MRPFIGRRW

4.4

-11.83

-7.43
10 MRKFIGKRW

4.27

-11.69

-7.42
11 MRFFIGLRW

3.15

-10.51

-7.36
12 MRFFIGKRW

2.98

-10.21

-7.23
13 MRPFIGKRW

3.45

-10.66

-7.21
14 MRYFIGMRW

2.82

-10.02

-7.2
15 MRFMIGLRW

3.13

-10.27

-7.14
16 MRYFFGMRW

3.86

-10.98

-7.12
17 MRYFIGKRW

4.19

-11.31

-7.12
18 MRFFIGRRW

3.74

-10.78

-7.04
19 MRFMIGKRW

4.05

-10.88

-6.83
20 MRYFIGRRW

4.42

-11.22

-6.8
21 MRYFIGLRW

3.09

-9.69

-6.6
22 MRKMIGKRW

3.15

-9.75

-6.6
23 MRPMIGKRW

2.92

-9.46

-6.54
24 MRPMIGRRW

2.75

-9.27

-6.52
25 MRYMIGLRW

2.88

-9.27

-6.39
26 MRKFIGRRW

3.64

-10.03

-6.39
27 MRPFIGMRW

4.51

-10.79

-6.28
28 MRYMIGRRW

4.28

-10.5

-6.22
29 MRYMIGMRW

2.97

-8.79

-5.82
30 MRPMIGMRW

3.6

-9.37

-5.77

 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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