Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-17.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 6.993 ΔGbinding -2.201
TOTAL
 4.792
Backbone Hb -2.413 Cis_bond 0.000
Sidechain Hb -2.413 Torsional clash 0.618
Van der Waals -5.436 Backbone clash 0.486
Electrostatics 0.023 Helix dipole 0.000
Solvation Polar 7.325 Water bridges -0.037
Solvation Hyd -7.581 Disulfide 0.000
VdW clashes 1.792 Electrost. Kon 0.039
Entropy sc 1.249 Part.cov.bonds 0.000
Entropy mc

4.634

 ΔGstability

35.979
       

Predicted ligand sequences for model [SLA1-D3_1CSK-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRIMGHRR 0.0
2 RRWIMGHRR 0.01
3 RRFIMGHRR 0.03
4 RRWIMGHWR 0.04
5 RRRIMGHWR 0.04
6 RRFIMGHWR 0.07
7 RRRIMGHRY 0.12
8 RRWIMGHRY 0.12
9 RRFIMGHRY 0.15
10 RRWIMGHWY 0.16
11 RRRIMGHWY 0.16
12 RRFIMGHWY 0.19
13 FRRIMGHRR 0.2
14 FRWIMGHRR 0.2
15 FRFIMGHRR 0.23
16 FRRIMGHWR 0.23
17 FRWIMGHWR 0.24
18 FRFIMGHWR 0.27
19 FRRIMGHRY 0.31
20 FRWIMGHRY 0.32
21 FRRIMGHWY 0.35
22 FRFIMGHRY 0.35
23 FRWIMGHWY 0.36
24 FRFIMGHWY 0.39
25 RRRIMGHHR 0.4
26 RRWIMGHHR 0.41
27 RRRIMWHRR 0.43
28 RRFIMGHHR 0.43
29 RRRIMGYRR 0.44
30 RRWIMWHRR 0.44
31 RRWIMGYRR 0.45
32 RRFIMWHRR 0.46
33 RRWIMWHWR 0.47
34 RRFIMGYRR 0.47
35 RRRIMWHWR 0.47
36 RRRIMGYWR 0.48
37 RRWIMGYWR 0.49
38 RRFIMWHWR 0.5
39 RRFIMGYWR 0.51
40 RRRIMGHHY 0.52
41 RRWIMGHHY 0.53
42 RRRIMWHRY 0.55
43 RRFIMGHHY 0.55
44 RRWIMWHRY 0.55
45 RRRIMGYRY 0.56
46 RRWIMGYRY 0.57
47 RRFIMWHRY 0.58
48 RRWIMWHWY 0.59
49 RRFIMGYRY 0.59
50 RRRIMWHWY 0.59
51 FRRIMGHHR 0.6
52 RRRIMGYWY 0.6
53 FRWIMGHHR 0.6
54 RRWIMGYWY 0.61
55 FRRIMWHRR 0.62
56 RRFIMWHWY 0.62
57 RRFIMGYWY 0.63
58 FRFIMGHHR 0.63
59 FRWIMWHRR 0.63
60 FRRIMGYRR 0.64
61 FRWIMGYRR 0.64
62 FRRIMWHWR 0.66
63 FRFIMWHRR 0.66
64 FRFIMGYRR 0.67
65 FRWIMWHWR 0.67
66 FRWIMGYWR 0.68
67 FRRIMGYWR 0.68
68 FRFIMWHWR 0.7
69 FRFIMGYWR 0.71
70 FRRIMGHHY 0.72
71 FRWIMGHHY 0.72
72 FRRIMWHRY 0.74
73 FRFIMGHHY 0.75
74 FRWIMWHRY 0.75
75 FRWIMGYRY 0.76
76 FRRIMGYRY 0.76
77 FRRIMWHWY 0.78
78 FRFIMWHRY 0.78
79 FRFIMGYRY 0.79
80 FRWIMWHWY 0.79
81 FRWIMGYWY 0.8
82 FRRIMGYWY 0.8
83 FRFIMWHWY 0.82
84 RRRIMWHHR 0.83
85 FRFIMGYWY 0.83
86 RRRIMGYHR 0.84
87 RRWIMWHHR 0.84
88 RRWIMGYHR 0.85
89 RRFIMWHHR 0.86
90 RRRIMWYRR 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRIMGHRY

3.65

-9.14

-5.49
2 RRFIMGHRR

3.31

-8.71

-5.4
3 FRWIMGHRR

3.42

-8.65

-5.23
4 RRFIMGHRY

4.16

-9.24

-5.08
5 RRRIMGYRR

3.49

-8.54

-5.05
6 FRWIMGHRY

3.34

-8.34

-5.0
7 FRRIMGHRR

3.72

-8.55

-4.83
8 RRWIMGHRR

4.11

-8.74

-4.63
9 RRRIMGHHR

3.66

-8.24

-4.58
10 RRWIMGHHR

3.29

-7.68

-4.39
11 FRFIMGHRR

3.8

-8.19

-4.39
12 FRFIMGHRY

3.5

-7.74

-4.24
13 RRRIMWHRR

4.82

-8.86

-4.04
14 RRRIMGHRY

3.55

-7.51

-3.96
15 RRRIMGHWY

3.26

-6.5

-3.24
16 RRWIMGHRY

3.81

-7.04

-3.23
17 FRFIMGHWY

3.31

-6.4

-3.09
18 FRWIMGHWY

2.99

-6.03

-3.04
19 FRFIMGHWR

3.43

-6.44

-3.01
20 RRWIMGHWR

3.3

-6.29

-2.99
21 RRRIMGHWR

4.3

-7.26

-2.96
22 RRFIMGHHR

3.34

-6.16

-2.82
23 RRRIMGHRR

4.89

-7.64

-2.75
24 RRFIMGHWY

3.67

-6.41

-2.74
25 RRFIMGHWR

3.48

-6.05

-2.57
26 FRRIMGHWR

3.59

-6.07

-2.48
27 RRWIMGHWY

3.36

-5.82

-2.46
28 FRRIMGHWY

3.26

-5.61

-2.35
29 FRWIMGHWR

3.46

-5.57

-2.11
30 RRWIMWHRR

4.92

-4.64

0.28

 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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