Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-16.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 11.747 ΔGbinding 5.267
TOTAL
 17.014
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.364
Van der Waals -4.773 Backbone clash 0.427
Electrostatics -0.385 Helix dipole 0.000
Solvation Polar 7.297 Water bridges -0.099
Solvation Hyd -6.516 Disulfide 0.000
VdW clashes 2.968 Electrost. Kon -0.341
Entropy sc 1.273 Part.cov.bonds 0.000
Entropy mc

5.478

 ΔGstability

48.554
       

Predicted ligand sequences for model [SLA1-D3_1KA9-16.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_1KA9-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPLRPRHS 0.0
2 RPPLRPRHS 0.1
3 HPPLRPRHS 0.12
4 FPFLRPRHS 0.13
5 FPKLRPRHS 0.13
6 FPPLRPRES 0.17
7 RPKLRPRHS 0.22
8 RPFLRPRHS 0.23
9 HPKLRPRHS 0.25
10 HPFLRPRHS 0.25
11 RPPLRPRES 0.26
12 FPPLRPRHA 0.27
13 FPKLRPRES 0.29
14 HPPLRPRES 0.29
15 FPFLRPRES 0.3
16 FPPLRSRHS 0.32
17 RPPLRPRHA 0.37
18 HPPLRPRHA 0.39
19 RPKLRPRES 0.39
20 RPFLRPRES 0.4
21 FPFLRPRHA 0.4
22 FPKLRPRHA 0.4
23 HPKLRPRES 0.41
24 RPPLRSRHS 0.42
25 HPFLRPRES 0.42
26 FLPLRPRHS 0.44
27 FPPLRPREA 0.44
28 HPPLRSRHS 0.44
29 FPFLRSRHS 0.45
30 FPKLRSRHS 0.45
31 FRPLRPRHS 0.48
32 FPPLRSRES 0.48
33 RPKLRPRHA 0.49
34 RPFLRPRHA 0.5
35 HPFLRPRHA 0.52
36 HPKLRPRHA 0.52
37 RPPLRPREA 0.53
38 RPKLRSRHS 0.54
39 RLPLRPRHS 0.54
40 RPFLRSRHS 0.55
41 HLPLRPRHS 0.56
42 FPKLRPREA 0.56
43 HPPLRPREA 0.56
44 RRPLRPRHS 0.57
45 FLKLRPRHS 0.57
46 HPKLRSRHS 0.57
47 FPFLRPREA 0.57
48 FLFLRPRHS 0.57
49 HPFLRSRHS 0.57
50 RPPLRSRES 0.58
51 FPPLRSRHA 0.59
52 HRPLRPRHS 0.6
53 FRKLRPRHS 0.6
54 FLPLRPRES 0.61
55 FRFLRPRHS 0.61
56 FPKLRSRES 0.61
57 HPPLRSRES 0.61
58 FPFLRSRES 0.62
59 FRPLRPRES 0.64
60 RPKLRPREA 0.66
61 RPFLRPREA 0.67
62 RLFLRPRHS 0.67
63 RLKLRPRHS 0.67
64 HPKLRPREA 0.68
65 HLKLRPRHS 0.69
66 RPPLRSRHA 0.69
67 HPFLRPREA 0.69
68 RRKLRPRHS 0.7
69 HLFLRPRHS 0.7
70 FLPLRPRHA 0.71
71 RPFLRSRES 0.71
72 RRFLRPRHS 0.71
73 HPPLRSRHA 0.71
74 RLPLRPRES 0.71
75 RPKLRSRES 0.71
76 FPFLRSRHA 0.72
77 FPKLRSRHA 0.72
78 HRKLRPRHS 0.72
79 HPKLRSRES 0.73
80 FLKLRPRES 0.73
81 HLPLRPRES 0.73
82 HRFLRPRHS 0.73
83 HPFLRSRES 0.74
84 FLFLRPRES 0.74
85 RRPLRPRES 0.74
86 FRPLRPRHA 0.75
87 FPPLRSREA 0.76
88 FLPLRSRHS 0.76
89 FRFLRPRES 0.77
90 FRKLRPRES 0.77
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HPPLRSRHS

5.53

-8.18

-2.65
2 FPPLRSRHS

6.3

-8.52

-2.22
3 FPKLRSRHS

5.72

-7.43

-1.71
4 RPPLRSRHS

7.58

-8.03

-0.45
5 FPFLRSRHS

7.24

-6.61

0.63
6 RPFLRPRHS

8.77

-7.51

1.26
7 FPFLRPRHA

8.6

-6.89

1.71
8 RPPLRPRHA

11.46

-8.98

2.48
9 FPFLRPRES

7.92

-5.35

2.57
10 FPPLRPRHS

10.68

-7.72

2.96
11 HPPLRPRHS

11.31

-8.3

3.01
12 HPKLRPRHS

10.25

-7.22

3.03
13 HPPLRPRHA

11.41

-8.07

3.34
14 HPFLRPRHS

10.58

-7.01

3.57
15 FPKLRPRHS

11.04

-7.43

3.61
16 FPFLRPRHS

11.72

-8.01

3.71
17 RPPLRPRHS

11.85

-8.09

3.76
18 FPPLRPRHA

11.25

-7.31

3.94
19 FPKLRPRHA

11.8

-7.69

4.11
20 HPPLRPRES

10.5

-6.21

4.29
21 RPKLRPRHS

11.23

-6.92

4.31
22 HPKLRPRES

10.56

-6.13

4.43
23 FPPLRPREA

10.75

-6.3

4.45
24 RPPLRPRES

11.21

-6.47

4.74
25 FPPLRPRES

11.16

-6.35

4.81
26 FPKLRPRES

10.88

-6.06

4.82
27 RPFLRPRES

10.9

-5.97

4.93
28 RPKLRPRES

11.11

-5.68

5.43
29 HPFLRPRES

12.38

-5.79

6.59
30 FLPLRPRHS

13.09

-5.83

7.26

 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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