Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-18.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 5.534 ΔGbinding 2.430
TOTAL
 7.964
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.422
Van der Waals -4.651 Backbone clash 1.199
Electrostatics -0.224 Helix dipole 0.000
Solvation Polar 5.367 Water bridges -0.231
Solvation Hyd -6.490 Disulfide 0.000
VdW clashes 2.403 Electrost. Kon -0.338
Entropy sc 0.929 Part.cov.bonds 0.000
Entropy mc

5.243

 ΔGstability

41.851
       

Predicted ligand sequences for model [SLA1-D3_1KA9-18.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_1KA9-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLHSRRRW 0.0
2 RPPLHSRRRY 0.01
3 RPPIHSRRRW 0.02
4 RPPIHSRRRY 0.04
5 RPPLHSRRHW 0.1
6 RPPLHSRRHY 0.11
7 RPPIHSRRHW 0.12
8 RRPLHSRRRW 0.12
9 RPPIHSRRHY 0.13
10 RRPLHSRRRY 0.14
11 RKPLHSRRRW 0.15
12 RRPIHSRRRW 0.15
13 RRPIHSRRRY 0.16
14 RKPLHSRRRY 0.17
15 RKPIHSRRRW 0.18
16 RPPLHSRRRF 0.18
17 RKPIHSRRRY 0.19
18 RPPLKSRRRW 0.19
19 RPPIHSRRRF 0.2
20 RPKLHSRRRW 0.2
21 RPPIKSRRRW 0.21
22 RPPLKSRRRY 0.21
23 RPKLHSRRRY 0.21
24 RPKIHSRRRW 0.22
25 RRPLHSRRHW 0.22
26 RPFLHSRRRW 0.22
27 RPFLHSRRRY 0.23
28 RPPIKSRRRY 0.23
29 RPKIHSRRRY 0.23
30 RRPIHSRRHW 0.24
31 RRPLHSRRHY 0.24
32 RPFIHSRRRW 0.24
33 RKPLHSRRHW 0.25
34 RPFIHSRRRY 0.25
35 RRPIHSRRHY 0.26
36 RPPLHSRRHF 0.27
37 RKPLHSRRHY 0.27
38 RKPIHSRRHW 0.27
39 RPPLHSKRRW 0.28
40 RPKLHSRRHW 0.29
41 RKPIHSRRHY 0.29
42 RPPLKSRRHW 0.29
43 RPPIHSKRRW 0.3
44 RPPIHSRRHF 0.3
45 RRPLHSRRRF 0.3
46 RPPLHRRRRW 0.3
47 RPPLKSRRHY 0.3
48 RPPLHSKRRY 0.3
49 RPFLHSRRHW 0.31
50 RPPIKSRRHW 0.31
51 RPKIHSRRHW 0.31
52 RPKLHSRRHY 0.31
53 RPPIKSRRHY 0.32
54 RPPIHSKRRY 0.32
55 RPPIHRRRRW 0.32
56 RRKLHSRRRW 0.32
57 RPPLHRRRRY 0.32
58 RRPLKSRRRW 0.32
59 RPPLRSRRRW 0.32
60 RRPIHSRRRF 0.32
61 RPFLHSRRHY 0.33
62 RKPLHSRRRF 0.33
63 RPPMHSRRRW 0.33
64 RPFIHSRRHW 0.33
65 RPKIHSRRHY 0.33
66 RRPLKSRRRY 0.33
67 RRPIKSRRRW 0.34
68 RRFLHSRRRW 0.34
69 RPPMHSRRRY 0.34
70 RKPLKSRRRW 0.34
71 RPPIHRRRRY 0.34
72 RPPIRSRRRW 0.34
73 RRKLHSRRRY 0.34
74 RPPLRSRRRY 0.34
75 RRKIHSRRRW 0.34
76 RKKLHSRRRW 0.35
77 RRPIKSRRRY 0.35
78 RKPIHSRRRF 0.35
79 RPFIHSRRHY 0.35
80 RKKLHSRRRY 0.36
81 RRFLHSRRRY 0.36
82 RKPLKSRRRY 0.36
83 RRFIHSRRRW 0.36
84 RPPIRSRRRY 0.36
85 RRKIHSRRRY 0.36
86 RKKIHSRRRW 0.37
87 RPPLKSRRRF 0.37
88 RKPIKSRRRW 0.37
89 RPKLHSRRRF 0.37
90 RKFLHSRRRW 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPKLHSRRRY

5.6

-7.54

-1.94
2 RPPLHSRRHW

4.1

-5.71

-1.61
3 RPFLHSRRRY

5.18

-6.34

-1.16
4 RPPLHSRRHY

5.25

-5.89

-0.64
5 RPPLHSRRRF

5.7

-6.22

-0.52
6 RPPLKSRRRY

6.67

-6.45

0.22
7 RRPLHSRRHW

4.82

-3.96

0.86
8 RPPIHSRRHY

5.26

-4.28

0.98
9 RPPIHSRRRY

6.38

-4.95

1.43
10 RKPLHSRRRY

5.65

-3.98

1.67
11 RRPIHSRRRY

6.15

-4.28

1.87
12 RKPIHSRRRY

5.21

-2.93

2.28
13 RRPLHSRRRY

6.91

-4.14

2.77
14 RPPIHSRRHW

6.56

-3.7

2.86
15 RPPLHSRRRW

9.69

-6.66

3.03
16 RPPLHSRRRY

6.39

-2.87

3.52
17 RRPIHSRRHW

7.0

-3.34

3.66
18 RPKIHSRRRY

6.67

-2.88

3.79
19 RPFLHSRRRW

5.5

-1.0

4.5
20 RKPLHSRRRW

8.42

-2.21

6.21
21 RPPIHSRRRF

8.85

-2.16

6.69
22 RPPIHSRRRW

7.5

-0.66

6.84
23 RPKIHSRRRW

6.77

1.48

8.25
24 RRPLHSRRRW

10.56

-0.18

10.38
25 RPPIKSRRRY

14.97

-4.37

10.6
26 RPKLHSRRRW

9.87

0.88

10.75
27 RPPLKSRRRW

8.86

2.72

11.58
28 RPPIKSRRRW

10.33

1.44

11.77
29 RRPIHSRRRW

11.13

0.95

12.08
30 RKPIHSRRRW

9.88

2.7

12.58

 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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