Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 4.816 ΔGbinding -0.866
TOTAL
 3.950
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 2.164
Van der Waals -6.657 Backbone clash 0.642
Electrostatics 0.110 Helix dipole 0.000
Solvation Polar 7.803 Water bridges -0.220
Solvation Hyd -9.948 Disulfide 0.000
VdW clashes 4.214 Electrost. Kon 0.118
Entropy sc 1.237 Part.cov.bonds 0.000
Entropy mc

3.362

 ΔGstability

48.126
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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_UJ0-CSK-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 ARRRRFWDHF 0.0
2 GRRRRFWDHF 0.03
3 ARRRRFWDHP 0.05
4 GRRRRFWDHP 0.08
5 ARRRRFWPHF 0.09
6 GRRRRFWPHF 0.11
7 ARRRRFWPHP 0.13
8 ARRRRFWEHF 0.14
9 ARRRRFPDHF 0.14
10 GRRRRFWPHP 0.16
11 GRRRRFWEHF 0.16
12 GRRRRFPDHF 0.17
13 ARRRRFWEHP 0.18
14 ARRRRFPDHP 0.19
15 GRRRRFWEHP 0.21
16 GRRRRFPDHP 0.22
17 ARRRRFPPHF 0.23
18 ARNRRFWDHF 0.25
19 GRRRRFPPHF 0.26
20 ARRRRFPPHP 0.27
21 ARRRRFPEHF 0.28
22 GRNRRFWDHF 0.28
23 ARNRRFWDHP 0.29
24 GRRRRFPPHP 0.3
25 GRRRRFPEHF 0.3
26 GRNRRFWDHP 0.32
27 ARRRRFPEHP 0.32
28 ARNRRFWPHF 0.33
29 ARRRRFWDFF 0.34
30 GRRRRFPEHP 0.35
31 ARKRRFWDHF 0.35
32 GRNRRFWPHF 0.36
33 GRRRRFWDFF 0.37
34 GRKRRFWDHF 0.38
35 ARNRRFWPHP 0.38
36 ARNRRFWEHF 0.38
37 ARNRRFPDHF 0.39
38 ARRRRFWDFP 0.39
39 ARKRRFWDHP 0.4
40 ARRRRFWDHY 0.4
41 GRNRRFWPHP 0.41
42 GRRRRFWDFP 0.41
43 GRNRRFWEHF 0.41
44 GRNRRFPDHF 0.42
45 ARRRRFWPFF 0.42
46 GRRRRFWDHY 0.43
47 GRKRRFWDHP 0.43
48 ARKRRFWPHF 0.43
49 ARNRRFWEHP 0.43
50 ARNRRFPDHP 0.43
51 GRRRRFWPFF 0.45
52 GRKRRFWPHF 0.46
53 GRNRRFWEHP 0.46
54 GRNRRFPDHP 0.46
55 ARNRRFPPHF 0.47
56 ARRRRFWEFF 0.47
57 ARRRRFWPFP 0.47
58 ARRRRFPDFF 0.48
59 ARRRRFWPHY 0.48
60 ARKRRFWPHP 0.48
61 ARKRRFWEHF 0.48
62 ARKRRFPDHF 0.49
63 GRRRRFWEFF 0.5
64 GRRRRFWPFP 0.5
65 GRNRRFPPHF 0.5
66 GRKRRFWPHP 0.51
67 GRRRRFWPHY 0.51
68 GRRRRFPDFF 0.51
69 GRKRRFWEHF 0.51
70 GRKRRFPDHF 0.52
71 ARNRRFPEHF 0.52
72 ARNRRFPPHP 0.52
73 ARRRRFWEFP 0.52
74 ARRRRFPDFP 0.53
75 ARKRRFWEHP 0.53
76 ARRRRFWEHY 0.53
77 ARKRRFPDHP 0.54
78 ARRRRFPDHY 0.54
79 GRRRRFWEFP 0.55
80 GRNRRFPPHP 0.55
81 GRNRRFPEHF 0.55
82 GRRRRFWEHY 0.56
83 GRRRRFPDFP 0.56
84 GRKRRFWEHP 0.56
85 ARRRRFPPFF 0.56
86 GRKRRFPDHP 0.57
87 ARKRRFPPHF 0.57
88 GRRRRFPDHY 0.57
89 ARNRRFPEHP 0.57
90 ARNRRFWDFF 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GRRRRFPDHP

3.58

-13.78

-10.2
2 GRRRRFWDHP

4.07

-13.1

-9.03
3 GRRRRFPEHP

4.22

-12.99

-8.77
4 GRRRRFPPHP

4.12

-12.65

-8.53
5 GRNRRFWDHP

3.94

-11.8

-7.86
6 ARRRRFWEHF

4.64

-11.97

-7.33
7 ARRRRFPEHP

3.95

-11.26

-7.31
8 ARRRRFWPHP

4.12

-10.58

-6.46
9 GRRRRFWPHP

3.65

-10.06

-6.41
10 ARRRRFPPHP

4.6

-10.78

-6.18
11 ARRRRFPPHF

4.42

-10.44

-6.02
12 GRRRRFWEHP

4.09

-10.07

-5.98
13 GRRRRFPEHF

4.23

-9.96

-5.73
14 ARRRRFWEHP

4.02

-9.73

-5.71
15 ARRRRFPDHP

4.08

-9.75

-5.67
16 ARRRRFWPHF

4.04

-9.66

-5.62
17 ARNRRFWDHP

3.84

-9.44

-5.6
18 GRRRRFPPHF

4.6

-10.18

-5.58
19 ARRRRFWDHF

4.75

-9.94

-5.19
20 ARRRRFWDHP

3.94

-9.11

-5.17
21 GRNRRFWDHF

4.36

-9.42

-5.06
22 ARRRRFPDHF

4.98

-9.71

-4.73
23 ARRRRFPEHF

4.53

-8.97

-4.44
24 GRRRRFWDHF

4.81

-9.03

-4.22
25 ARNRRFWDHF

5.1

-8.74

-3.64
26 ARRRRFWDFF

4.47

-7.76

-3.29
27 GRRRRFWPHF

5.59

-8.86

-3.27
28 ARNRRFWPHF

5.12

-3.89

1.23
29 GRRRRFWEHF

6.02

10.43

16.45
30 GRRRRFPDHF

4.65

14.42

19.07

 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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