Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-27.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
 G 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 3.627 ΔGbinding -2.491
TOTAL
 1.136
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.155
Van der Waals -3.662 Backbone clash 0.159
Electrostatics -0.180 Helix dipole 0.000
Solvation Polar 4.569 Water bridges -0.004
Solvation Hyd -5.003 Disulfide 0.000
VdW clashes 0.790 Electrost. Kon -0.210
Entropy sc 1.098 Part.cov.bonds 0.000
Entropy mc

1.730

 ΔGstability

49.801
       

Predicted ligand sequences for model [BUD14_1SEM-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 FKRRMRRRR 0.0
2 FDRRMRRRR 0.04
3 FNRRMRRRR 0.09
4 FKYRMRRRR 0.17
5 FDYRMRRRR 0.21
6 FKRRMRRRK 0.21
7 FKRHMRRRR 0.25
8 FDRRMRRRK 0.25
9 FNYRMRRRR 0.26
10 FKRRMRRRW 0.27
11 FDRHMRRRR 0.29
12 FNRRMRRRK 0.3
13 FDRRMRRRW 0.31
14 FKMRMRRRR 0.33
15 FNRHMRRRR 0.34
16 FNRRMRRRW 0.35
17 FDMRMRRRR 0.37
18 QKRRMRRRR 0.38
19 FKYRMRRRK 0.38
20 FKYHMRRRR 0.41
21 FDYRMRRRK 0.42
22 FNMRMRRRR 0.42
23 QDRRMRRRR 0.42
24 FKYRMRRRW 0.43
25 FDYHMRRRR 0.45
26 FKRHMRRRK 0.46
27 FDYRMRRRW 0.47
28 QNRRMRRRR 0.47
29 FNYRMRRRK 0.47
30 FDRHMRRRK 0.5
31 FNYHMRRRR 0.5
32 FKRHMRRRW 0.51
33 FNYRMRRRW 0.52
34 FKMRMRRRK 0.54
35 FDRHMRRRW 0.55
36 FNRHMRRRK 0.55
37 QKYRMRRRR 0.55
38 FKMHMRRRR 0.57
39 FDMRMRRRK 0.58
40 QDYRMRRRR 0.58
41 FKMRMRRRW 0.59
42 QKRRMRRRK 0.59
43 FNRHMRRRW 0.6
44 FDMHMRRRR 0.61
45 FKYHMRRRK 0.62
46 QKRHMRRRR 0.63
47 QNYRMRRRR 0.63
48 FDMRMRRRW 0.63
49 FNMRMRRRK 0.63
50 QDRRMRRRK 0.63
51 QKRRMRRRW 0.65
52 FNMHMRRRR 0.66
53 FDYHMRRRK 0.66
54 QDRHMRRRR 0.67
55 QNRRMRRRK 0.68
56 FKYHMRRRW 0.68
57 FNMRMRRRW 0.68
58 QDRRMRRRW 0.69
59 QNRHMRRRR 0.71
60 FNYHMRRRK 0.71
61 QKMRMRRRR 0.71
62 FDYHMRRRW 0.72
63 QNRRMRRRW 0.73
64 QDMRMRRRR 0.75
65 QKYRMRRRK 0.76
66 FNYHMRRRW 0.77
67 FKMHMRRRK 0.79
68 QNMRMRRRR 0.79
69 QKYHMRRRR 0.79
70 QDYRMRRRK 0.8
71 QKYRMRRRW 0.81
72 FDMHMRRRK 0.82
73 QDYHMRRRR 0.83
74 QKRHMRRRK 0.84
75 FKMHMRRRW 0.84
76 QNYRMRRRK 0.84
77 QDYRMRRRW 0.85
78 FNMHMRRRK 0.87
79 QNYHMRRRR 0.88
80 FDMHMRRRW 0.88
81 QDRHMRRRK 0.88
82 QKRHMRRRW 0.89
83 QNYRMRRRW 0.9
84 QKMRMRRRK 0.92
85 QNRHMRRRK 0.93
86 QDRHMRRRW 0.93
87 FNMHMRRRW 0.93
88 QKMHMRRRR 0.95
89 QDMRMRRRK 0.96
90 QKMRMRRRW 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDRRMRRRW

2.81

-9.68

-6.87
2 FKRHMRRRR

5.69

-11.52

-5.83
3 FDYRMRRRR

3.35

-8.87

-5.52
4 FKYRMRRRW

4.39

-9.29

-4.9
5 FNRRMRRRR

4.55

-9.38

-4.83
6 FNRHMRRRR

4.98

-9.73

-4.75
7 FKRHMRRRK

5.62

-10.32

-4.7
8 FKYRMRRRR

4.69

-9.18

-4.49
9 FNMRMRRRR

5.07

-9.36

-4.29
10 FDYRMRRRW

3.81

-8.09

-4.28
11 FDMRMRRRR

3.44

-7.65

-4.21
12 FDRHMRRRK

4.99

-9.09

-4.1
13 FDYHMRRRR

4.29

-8.38

-4.09
14 FNRRMRRRW

4.57

-8.65

-4.08
15 FNYRMRRRK

5.09

-9.08

-3.99
16 FDRRMRRRR

4.51

-8.49

-3.98
17 FDYRMRRRK

4.49

-8.34

-3.85
18 FKRRMRRRK

5.65

-9.49

-3.84
19 FDRRMRRRK

5.11

-8.95

-3.84
20 FKYHMRRRR

5.04

-8.74

-3.7
21 FNYRMRRRR

5.39

-9.08

-3.69
22 FKMRMRRRR

4.65

-8.29

-3.64
23 QKRRMRRRR

5.11

-8.7

-3.59
24 FDRHMRRRR

5.02

-7.92

-2.9
25 FKRRMRRRW

6.35

-9.04

-2.69
26 QDRRMRRRR

3.57

-6.21

-2.64
27 FNRRMRRRK

6.15

-8.55

-2.4
28 FKYRMRRRK

4.77

-6.84

-2.07
29 FKRRMRRRR

6.34

-8.4

-2.06
30 QNRRMRRRR

4.92

-5.11

-0.19

 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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