Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-5.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 10
poly-Ala
A
A
 A
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 6.576 ΔGbinding 4.972
TOTAL
 11.548
Backbone Hb -2.413 Cis_bond 0.000
Sidechain Hb -2.412 Torsional clash 2.261
Van der Waals -6.765 Backbone clash 0.950
Electrostatics 0.135 Helix dipole 0.000
Solvation Polar 8.333 Water bridges -0.144
Solvation Hyd -10.015 Disulfide 0.000
VdW clashes 10.361 Electrost. Kon 0.100
Entropy sc 2.102 Part.cov.bonds 0.000
Entropy mc

3.429

 ΔGstability

48.529
       

Predicted ligand sequences for model [SLA1-D3_1CSK-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 AMRHRFPPHF 0.0
2 AMRHRFPDHF 0.04
3 AMRHRFPEHF 0.08
4 AMRHRFPPRF 0.14
5 AMRHRFWPHF 0.16
6 AMRHRFPDRF 0.18
7 AMRHRFWDHF 0.19
8 AMRHRFLPHF 0.2
9 AMRHRFPERF 0.23
10 AMRHRFLDHF 0.23
11 AMRHRFWEHF 0.24
12 AMRHRFLEHF 0.28
13 AMRHRFWPRF 0.3
14 AMRHRFPPHP 0.3
15 AMNHRFPPHF 0.31
16 AMRHRFWDRF 0.34
17 AMRHRFPDHP 0.34
18 AMRHRFLPRF 0.34
19 AMHHRFPPHF 0.35
20 AMNHRFPDHF 0.35
21 AMRHRFLDRF 0.38
22 AMHHRFPDHF 0.38
23 AMRHRFWERF 0.38
24 AMNHRFPEHF 0.39
25 AMRHRPPPHF 0.39
26 AMRHRFPEHP 0.39
27 AMRHRFLERF 0.42
28 AMRHRPPDHF 0.42
29 AMHHRFPEHF 0.43
30 AMRHRFPPRP 0.45
31 AMNHRFPPRF 0.45
32 AMRHRFWPHP 0.46
33 AMNHRFWPHF 0.47
34 AMRHRPPEHF 0.47
35 AMRHRFPDRP 0.48
36 AMNHRFPDRF 0.49
37 AMHHRFPPRF 0.49
38 AMRHRFLPHP 0.5
39 AMNHRFWDHF 0.5
40 AMRHRFWDHP 0.5
41 AMNHRFLPHF 0.51
42 AMHHRFWPHF 0.51
43 AMHHRFPDRF 0.53
44 AMRHRPPPRF 0.53
45 AMRHRFPERP 0.53
46 AMHHRFLPHF 0.54
47 AMNHRFLDHF 0.54
48 AMNHRFPERF 0.54
49 AMRHRFLDHP 0.54
50 AMHHRFWDHF 0.54
51 AMRHRPWPHF 0.54
52 AMRHRFWEHP 0.54
53 AMNHRFWEHF 0.55
54 AMRHRPPDRF 0.56
55 AMHHRFPERF 0.57
56 AMRHRPLPHF 0.58
57 AMHHRFLDHF 0.58
58 AMRHRPWDHF 0.58
59 AMRHRFLEHP 0.58
60 AMHHRFWEHF 0.59
61 AMNHRFLEHF 0.59
62 AMRHRFWPRP 0.6
63 AMRHRPPERF 0.61
64 AMNHRFWPRF 0.61
65 AMNHRFPPHP 0.61
66 AMRHRPLDHF 0.62
67 AMRHRPWEHF 0.62
68 AMHHRFLEHF 0.63
69 AMRHRFWDRP 0.64
70 AMNHRFLPRF 0.65
71 AMNHRFWDRF 0.65
72 AMHHRFPPHP 0.65
73 AMHHRFWPRF 0.65
74 AMNHRFPDHP 0.65
75 AMRHRFLPRP 0.65
76 AMRHRPLEHF 0.66
77 AMHHRFWDRF 0.68
78 AMRHRFLDRP 0.68
79 AMRHRPWPRF 0.69
80 AMNHRFWERF 0.69
81 AMHHRFPDHP 0.69
82 AMNHRFLDRF 0.69
83 AMRHRFWERP 0.69
84 AMHHRFLPRF 0.69
85 AMRHRPPPHP 0.69
86 AMNHRFPEHP 0.7
87 AMNHRPPPHF 0.7
88 AMHHRFLDRF 0.72
89 AMRHRPPDHP 0.72
90 AMRHRPWDRF 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 AMRHRPPDHF

3.76

-8.42

-4.66
2 AMRHRPPPHF

4.57

-7.73

-3.16
3 AMRHRFPPHP

5.39

-7.17

-1.78
4 AMRHRFPDHP

5.43

-6.52

-1.09
5 AMRHRFPPRP

5.98

-5.05

0.93
6 AMRHRFPEHF

5.9

-4.92

0.98
7 AMNHRFPPHF

6.04

-5.02

1.02
8 AMRHRFPERF

6.11

-4.43

1.68
9 AMNHRFPDHF

5.73

-3.97

1.76
10 AMRHRFPPHF

5.33

-3.54

1.79
11 AMRHRFLPHF

6.42

-4.57

1.85
12 AMHHRFPEHF

5.7

-3.71

1.99
13 AMRHRFPEHP

5.47

-3.44

2.03
14 AMRHRFPDHF

6.19

-4.1

2.09
15 AMRHRFPPRF

6.31

-4.03

2.28
16 AMRHRFWEHF

6.07

-3.77

2.3
17 AMHHRFPDHF

5.85

-3.18

2.67
18 AMRHRFLEHF

5.97

-3.22

2.75
19 AMRHRFLDHF

6.68

-3.8

2.88
20 AMRHRFPDRF

6.51

-3.57

2.94
21 AMRHRFWPRF

6.6

-3.16

3.44
22 AMRHRFWERF

6.0

-2.56

3.44
23 AMRHRFWDHF

6.24

-2.67

3.57
24 AMHHRFPPHF

6.12

-2.46

3.66
25 AMRHRFWDRF

6.56

-2.55

4.01
26 AMRHRFLDRF

6.3

-2.24

4.06
27 AMNHRFPEHF

5.59

-1.33

4.26
28 AMRHRFLPRF

5.8

-0.98

4.82
29 AMRHRFLERF

5.68

-0.69

4.99
30 AMRHRFWPHF

5.95

1.38

7.33

 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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