Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-16.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    

(Help)

Intraclash 2.226 ΔGbinding 1.463
TOTAL
 3.689
Backbone Hb -0.187 Cis_bond 0.000
Sidechain Hb -0.188 Torsional clash 0.489
Van der Waals -4.119 Backbone clash 0.252
Electrostatics -0.817 Helix dipole 0.000
Solvation Polar 6.698 Water bridges -0.246
Solvation Hyd -5.808 Disulfide 0.000
VdW clashes 1.000 Electrost. Kon -0.523
Entropy sc 1.280 Part.cov.bonds 0.000
Entropy mc

3.885

 ΔGstability

46.075
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-16.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).
 
  SLA1-D3_UJ0-CSK-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHPINSHRA 0.0
2 FHPIRSHRA 0.04
3 FHPIKSHRA 0.08
4 FHHINSHRA 0.09
5 FHHIRSHRA 0.13
6 FHFINSHRA 0.14
7 FHHIKSHRA 0.17
8 FHFIRSHRA 0.18
9 FHPINGHRA 0.19
10 FKPINSHRA 0.21
11 FHFIKSHRA 0.22
12 FHPIRGHRA 0.23
13 FKPIRSHRA 0.25
14 FHPIKGHRA 0.27
15 FHHINGHRA 0.29
16 FKPIKSHRA 0.29
17 FKHINSHRA 0.3
18 FHHIRGHRA 0.33
19 FKHIRSHRA 0.34
20 FHFINGHRA 0.34
21 FKFINSHRA 0.35
22 FHHIKGHRA 0.36
23 FKHIKSHRA 0.38
24 FHFIRGHRA 0.38
25 FKFIRSHRA 0.39
26 FHFIKGHRA 0.41
27 FKPINGHRA 0.41
28 RHPINSHRA 0.41
29 FHPINSRRA 0.42
30 FKFIKSHRA 0.43
31 RHPIRSHRA 0.45
32 FKPIRGHRA 0.45
33 FHPIRSRRA 0.46
34 FHPINSIRA 0.47
35 FHPLNSHRA 0.47
36 FKPIKGHRA 0.48
37 RHPIKSHRA 0.49
38 FKHINGHRA 0.5
39 FHPIKSRRA 0.5
40 RHHINSHRA 0.51
41 FHPLRSHRA 0.51
42 FHPIRSIRA 0.51
43 FHHINSRRA 0.52
44 FHPLKSHRA 0.54
45 FKHIRGHRA 0.54
46 FHPIKSIRA 0.54
47 FHHIRSRRA 0.55
48 RHHIRSHRA 0.55
49 FKFINGHRA 0.55
50 RHFINSHRA 0.56
51 FHHINSIRA 0.56
52 FHHLNSHRA 0.56
53 FHFINSRRA 0.57
54 FKHIKGHRA 0.57
55 RHHIKSHRA 0.58
56 FKFIRGHRA 0.59
57 FHHIKSRRA 0.59
58 FHHLRSHRA 0.6
59 FHHIRSIRA 0.6
60 RHFIRSHRA 0.6
61 RHPINGHRA 0.61
62 FHFINSIRA 0.61
63 FHFIRSRRA 0.61
64 FHFLNSHRA 0.61
65 RKPINSHRA 0.62
66 FHPINGRRA 0.62
67 FKFIKGHRA 0.62
68 FHHIKSIRA 0.63
69 RHFIKSHRA 0.63
70 FHHLKSHRA 0.63
71 FHFIKSRRA 0.64
72 FKPINSRRA 0.64
73 FHFIRSIRA 0.65
74 RHPIRGHRA 0.65
75 FHFLRSHRA 0.65
76 FHPLNGHRA 0.66
77 FHPIRGRRA 0.66
78 FHPINGIRA 0.66
79 RKPIRSHRA 0.67
80 FKPLNSHRA 0.68
81 RHPIKGHRA 0.68
82 FKPIRSRRA 0.68
83 FHFLKSHRA 0.68
84 FKPINSIRA 0.68
85 FHFIKSIRA 0.68
86 FHPIKGRRA 0.69
87 RHHINGHRA 0.7
88 RKPIKSHRA 0.7
89 FHPIRGIRA 0.7
90 FHPLRGHRA 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHFIRGHRA

1.61

-7.74

-6.13
2 FHPIKGHRA

1.44

-7.51

-6.07
3 FHFIKGHRA

1.47

-7.2

-5.73
4 FHPIRGHRA

1.49

-7.16

-5.67
5 FHHIKSHRA

2.2

-7.51

-5.31
6 FHPIRSHRA

2.34

-7.6

-5.26
7 FHFIKSHRA

2.62

-7.66

-5.04
8 FHHIRSHRA

2.55

-7.43

-4.88
9 FHHIRGHRA

1.55

-6.36

-4.81
10 FHHIKGHRA

1.4

-6.12

-4.72
11 FHFIRSHRA

2.61

-7.09

-4.48
12 FKPIKSHRA

2.37

-6.83

-4.46
13 FHPINGHRA

1.71

-6.03

-4.32
14 FKFIKSHRA

2.34

-6.64

-4.3
15 FKPINGHRA

1.35

-5.55

-4.2
16 FHFINGHRA

1.38

-5.54

-4.16
17 FHPIKSHRA

2.25

-6.38

-4.13
18 FKFIRSHRA

2.76

-6.77

-4.01
19 FKPIRSHRA

2.64

-6.64

-4.0
20 RHPINSHRA

2.39

-6.36

-3.97
21 FKHIRSHRA

2.58

-6.53

-3.95
22 FHHINGHRA

1.63

-5.45

-3.82
23 FHPINSHRA

2.47

-6.22

-3.75
24 FHFINSHRA

2.55

-6.17

-3.62
25 FKFINSHRA

2.46

-6.03

-3.57
26 FKHIKSHRA

2.54

-6.08

-3.54
27 FKPINSHRA

2.35

-5.72

-3.37
28 FHPINSRRA

2.6

-5.97

-3.37
29 FKHINSHRA

2.36

-5.71

-3.35
30 FHHINSHRA

2.52

-5.57

-3.05

 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