Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-18.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
G
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 6.695 ΔGbinding 1.048
TOTAL
 7.743
Backbone Hb -0.188 Cis_bond 0.000
Sidechain Hb -0.188 Torsional clash 0.819
Van der Waals -4.808 Backbone clash 1.515
Electrostatics -0.291 Helix dipole 0.000
Solvation Polar 6.170 Water bridges -0.023
Solvation Hyd -6.443 Disulfide 0.000
VdW clashes 0.993 Electrost. Kon -0.406
Entropy sc 1.285 Part.cov.bonds 0.000
Entropy mc

4.127

 ΔGstability

41.418
       

Predicted ligand sequences for model [SLA1-D3_1CSK-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIPSRRYY 0.0
2 RPPLPSRRYY 0.06
3 RPFIPSRRYY 0.13
4 RPYIPSRRYY 0.14
5 RPFLPSRRYY 0.19
6 RPYLPSRRYY 0.2
7 RPPIPSKRYY 0.25
8 RPPLPSKRYY 0.31
9 RPPIKSRRYY 0.38
10 RPFIPSKRYY 0.38
11 RPYIPSKRYY 0.39
12 RPPIPSRKYY 0.39
13 RPPILSRRYY 0.42
14 FPPIPSRRYY 0.42
15 RPFLPSKRYY 0.44
16 RPPLKSRRYY 0.44
17 RPPLPSRKYY 0.45
18 RPYLPSKRYY 0.45
19 RPPLLSRRYY 0.48
20 FPPLPSRRYY 0.48
21 RPFIPSRKYY 0.51
22 RPFIKSRRYY 0.51
23 RPYIKSRRYY 0.52
24 RPYIPSRKYY 0.52
25 FPFIPSRRYY 0.54
26 RPYILSRRYY 0.55
27 RPFILSRRYY 0.55
28 FPYIPSRRYY 0.55
29 RPFLKSRRYY 0.57
30 RPFLPSRKYY 0.57
31 RPYLKSRRYY 0.58
32 RPYLPSRKYY 0.58
33 FPFLPSRRYY 0.6
34 FPYLPSRRYY 0.61
35 RPFLLSRRYY 0.61
36 RPYLLSRRYY 0.61
37 RPPIKSKRYY 0.63
38 RPPIPSKKYY 0.64
39 RPPILSKRYY 0.67
40 FPPIPSKRYY 0.67
41 RPPLKSKRYY 0.69
42 RPPLPSKKYY 0.7
43 RPPLLSKRYY 0.73
44 FPPLPSKRYY 0.73
45 RPFIKSKRYY 0.76
46 RPFIPSKKYY 0.76
47 RPPIKSRKYY 0.77
48 RPYIPSKKYY 0.77
49 RPYIKSKRYY 0.77
50 FPFIPSKRYY 0.79
51 RPFILSKRYY 0.8
52 RPPILSRKYY 0.8
53 FPPIKSRRYY 0.8
54 FPPIPSRKYY 0.8
55 FPYIPSKRYY 0.8
56 RPYILSKRYY 0.81
57 RPFLKSKRYY 0.82
58 RPFLPSKKYY 0.82
59 RPYLPSKKYY 0.83
60 RPYLKSKRYY 0.83
61 FPPILSRRYY 0.83
62 RPPLKSRKYY 0.83
63 FPPLPSRKYY 0.86
64 FPYLPSKRYY 0.86
65 FPFLPSKRYY 0.86
66 RPFLLSKRYY 0.86
67 FPPLKSRRYY 0.86
68 RPPLLSRKYY 0.86
69 RPYLLSKRYY 0.87
70 RPFIKSRKYY 0.89
71 FPPLLSRRYY 0.9
72 RPYIKSRKYY 0.9
73 FPFIKSRRYY 0.92
74 FPYIKSRRYY 0.93
75 RPFILSRKYY 0.93
76 FPFIPSRKYY 0.93
77 RPYILSRKYY 0.94
78 FPYIPSRKYY 0.94
79 RPFLKSRKYY 0.95
80 FPFILSRRYY 0.96
81 RPYLKSRKYY 0.96
82 FPYILSRRYY 0.97
83 FPFLKSRRYY 0.98
84 FPFLPSRKYY 0.99
85 FPYLKSRRYY 0.99
86 RPFLLSRKYY 0.99
87 RPYLLSRKYY 1.0
88 FPYLPSRKYY 1.0
89 RPPIKSKKYY 1.02
90 FPFLLSRRYY 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPLLSRRYY

4.37

-10.14

-5.77
2 RPPLPSRKYY

3.68

-9.33

-5.65
3 RPYLPSRRYY

4.06

-9.41

-5.35
4 RPFLPSRRYY

4.43

-9.74

-5.31
5 FPPLPSRRYY

3.62

-8.42

-4.8
6 RPPIPSRRYY

3.87

-8.59

-4.72
7 RPYILSRRYY

5.55

-10.24

-4.69
8 RPFLKSRRYY

5.22

-9.36

-4.14
9 RPYIPSRKYY

3.9

-7.97

-4.07
10 RPPIKSRRYY

5.04

-9.03

-3.99
11 RPFIKSRRYY

5.0

-8.9

-3.9
12 RPPLKSRRYY

5.27

-9.14

-3.87
13 RPYIPSRRYY

4.31

-8.16

-3.85
14 RPPIPSRKYY

4.61

-8.31

-3.7
15 RPFIPSRRYY

4.34

-8.01

-3.67
16 FPPIPSRRYY

4.5

-8.1

-3.6
17 RPPIPSKRYY

4.82

-8.26

-3.44
18 RPFIPSKRYY

4.4

-7.75

-3.35
19 RPPLPSRRYY

4.91

-8.25

-3.34
20 RPYLPSKRYY

4.9

-8.16

-3.26
21 RPPILSRRYY

4.89

-8.08

-3.19
22 RPFIPSRKYY

5.37

-8.18

-2.81
23 RPPLPSKRYY

5.06

-7.75

-2.69
24 RPFILSRRYY

4.25

-6.63

-2.38
25 RPFLPSRKYY

4.72

-7.08

-2.36
26 FPYIPSRRYY

5.16

-7.52

-2.36
27 RPYIPSKRYY

5.11

-7.31

-2.2
28 RPYIKSRRYY

4.83

-7.01

-2.18
29 RPFLPSKRYY

4.63

-6.74

-2.11
30 FPFIPSRRYY

4.87

-6.39

-1.52

 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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