Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-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    

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Intraclash 8.766 ΔGbinding 3.199
TOTAL
 11.965
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.768
Van der Waals -5.004 Backbone clash 0.568
Electrostatics -0.246 Helix dipole 0.000
Solvation Polar 7.640 Water bridges -0.181
Solvation Hyd -6.737 Disulfide 0.000
VdW clashes 0.946 Electrost. Kon -0.278
Entropy sc 1.094 Part.cov.bonds 0.000
Entropy mc

5.198

 ΔGstability

43.602
       

Predicted ligand sequences for model [SLA1-D3_1CSK-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_1CSK-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPRRSRRP 0.0
2 FPPRNSRRP 0.03
3 FPPRRSRRY 0.08
4 FPFRRSRRP 0.1
5 FPPRNSRRY 0.12
6 FPFRNSRRP 0.14
7 FPYRRSRRP 0.17
8 FPPRRHRRP 0.18
9 FPFRRSRRY 0.19
10 FPYRNSRRP 0.2
11 FPPRNHRRP 0.21
12 FPFRNSRRY 0.22
13 WPPRRSRRP 0.24
14 FPYRRSRRY 0.25
15 FFPRRSRRP 0.25
16 RPPRRSRRP 0.27
17 FPPRRHRRY 0.27
18 FPYRNSRRY 0.28
19 WPPRNSRRP 0.28
20 FPFRRHRRP 0.28
21 FPPRRGRRP 0.28
22 FFPRNSRRP 0.28
23 FPPRNHRRY 0.3
24 FPPRNGRRP 0.31
25 RPPRNSRRP 0.31
26 FPFRNHRRP 0.32
27 FFPRRSRRY 0.33
28 WPPRRSRRY 0.33
29 FPYRRHRRP 0.35
30 FFFRRSRRP 0.35
31 WPFRRSRRP 0.35
32 WPPRNSRRY 0.36
33 RPPRRSRRY 0.36
34 FPPRRGRRY 0.36
35 FPFRRHRRY 0.37
36 FFPRNSRRY 0.37
37 FPYRNHRRP 0.38
38 WPFRNSRRP 0.38
39 FPFRRGRRP 0.38
40 RPFRRSRRP 0.38
41 RPPRNSRRY 0.39
42 FFFRNSRRP 0.39
43 FPPRNGRRY 0.39
44 FPFRNHRRY 0.4
45 RPFRNSRRP 0.41
46 FPFRNGRRP 0.41
47 WPYRRSRRP 0.41
48 FFYRRSRRP 0.42
49 WPPRRHRRP 0.42
50 FPYRRHRRY 0.43
51 WPFRRSRRY 0.43
52 FFPRRHRRP 0.43
53 FFFRRSRRY 0.44
54 WPYRNSRRP 0.44
55 RPYRRSRRP 0.44
56 FPYRRGRRP 0.44
57 RPPRRHRRP 0.45
58 FFYRNSRRP 0.45
59 FPYRNHRRY 0.46
60 WPFRNSRRY 0.46
61 RPFRRSRRY 0.46
62 FFPRNHRRP 0.46
63 WPPRNHRRP 0.46
64 RPYRNSRRP 0.47
65 FPFRRGRRY 0.47
66 FFFRNSRRY 0.47
67 FPYRNGRRP 0.48
68 RPPRNHRRP 0.49
69 RPFRNSRRY 0.49
70 WPYRRSRRY 0.49
71 WFPRRSRRP 0.49
72 FFYRRSRRY 0.5
73 FPFRNGRRY 0.5
74 WPPRRHRRY 0.51
75 RFPRRSRRP 0.52
76 RPYRRSRRY 0.52
77 WPPRRGRRP 0.52
78 FFPRRHRRY 0.52
79 WFPRNSRRP 0.53
80 FFFRRHRRP 0.53
81 FPYRRGRRY 0.53
82 FFPRRGRRP 0.53
83 WPYRNSRRY 0.53
84 WPFRRHRRP 0.53
85 FFYRNSRRY 0.53
86 WPPRNHRRY 0.54
87 RPPRRHRRY 0.54
88 WPPRNGRRP 0.55
89 FFPRNHRRY 0.55
90 RPPRRGRRP 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPRRGRRP

2.52

-6.83

-4.31
2 FPPRNGRRP

2.41

-5.34

-2.93
3 FPPRRSRRP

3.87

-6.67

-2.8
4 FPYRRHRRP

3.45

-6.01

-2.56
5 RPPRRSRRP

4.53

-6.79

-2.26
6 FPPRRHRRP

4.7

-6.95

-2.25
7 FPFRRSRRP

5.24

-7.33

-2.09
8 FPFRNSRRP

3.73

-5.57

-1.84
9 FPYRRSRRP

3.7

-5.44

-1.74
10 FPPRNHRRP

4.48

-6.13

-1.65
11 FFPRNSRRP

3.65

-5.17

-1.52
12 FPYRNSRRP

4.79

-6.24

-1.45
13 WPPRRSRRP

4.46

-5.89

-1.43
14 FPPRNSRRY

4.41

-5.77

-1.36
15 FPPRRHRRY

4.32

-5.56

-1.24
16 FPFRRSRRY

4.9

-6.09

-1.19
17 FFFRRSRRP

5.06

-6.24

-1.18
18 FPPRNSRRP

4.52

-5.65

-1.13
19 FPFRNHRRP

4.79

-5.92

-1.13
20 FPYRRSRRY

5.96

-6.98

-1.02
21 FPPRRSRRY

5.36

-6.38

-1.02
22 FPFRRHRRP

4.96

-5.88

-0.92
23 WPPRNSRRP

3.75

-4.65

-0.9
24 FPPRNHRRY

4.37

-5.01

-0.64
25 WPPRRSRRY

4.54

-5.05

-0.51
26 FPYRNSRRY

4.48

-4.97

-0.49
27 FFPRRSRRY

5.23

-5.59

-0.36
28 FPFRNSRRY

5.51

-5.71

-0.2
29 RPPRNSRRP

5.6

-5.77

-0.17
30 FFPRRSRRP

4.77

-4.63

0.14

 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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