Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-2.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 9.467 ΔGbinding -1.957
TOTAL
 7.510
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.014
Van der Waals -5.308 Backbone clash 0.048
Electrostatics -0.297 Helix dipole 0.000
Solvation Polar 5.831 Water bridges -0.058
Solvation Hyd -7.573 Disulfide 0.000
VdW clashes 2.097 Electrost. Kon -0.441
Entropy sc 0.838 Part.cov.bonds 0.000
Entropy mc

3.215

 ΔGstability

106.709
       

Predicted ligand sequences for model [SLA1-D1_2A28-2.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-D1_2A28-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPKRYPRRNR 0.0
2 YPRRYPRRNR 0.04
3 YPKRYPRHNR 0.22
4 YHKRYPRRNR 0.24
5 YPRRYPRHNR 0.25
6 YPKRYPRKNR 0.27
7 YHRRYPRRNR 0.28
8 YPRRYPRKNR 0.31
9 YPKRYPRRDR 0.35
10 YPRRYPRRDR 0.39
11 YPLRYPRRNR 0.39
12 YPKRYPFRNR 0.4
13 YPKRYPRRPR 0.41
14 YRKRYPRRNR 0.42
15 YPRRYPFRNR 0.44
16 YPRRYPRRPR 0.44
17 YHKRYPRHNR 0.46
18 YRRRYPRRNR 0.46
19 YHRRYPRHNR 0.49
20 YHKRYPRKNR 0.51
21 YHRRYPRKNR 0.55
22 YPKRYPRHDR 0.57
23 YPRRYPRHDR 0.6
24 YHKRYPRRDR 0.6
25 YPLRYPRHNR 0.61
26 YPKRYPRHPR 0.62
27 YPKRYPFHNR 0.62
28 YPKRYPRKDR 0.62
29 YHRRYPRRDR 0.63
30 YHLRYPRRNR 0.63
31 YRKRYPRHNR 0.64
32 YHKRYPFRNR 0.64
33 YPRRYPFHNR 0.65
34 YHKRYPRRPR 0.65
35 YPRRYPRKDR 0.66
36 YPLRYPRKNR 0.66
37 YPRRYPRHPR 0.66
38 YPKRYPFKNR 0.67
39 YRRRYPRHNR 0.67
40 YPKRYPRKPR 0.68
41 YHRRYPFRNR 0.68
42 YRKRYPRKNR 0.69
43 YHRRYPRRPR 0.69
44 YPRRYPFKNR 0.71
45 YPRRYPRKPR 0.72
46 YRRRYPRKNR 0.73
47 YPLRYPRRDR 0.74
48 YPKRYPFRDR 0.76
49 YRKRYPRRDR 0.78
50 YPLRYPFRNR 0.79
51 YPRRYPFRDR 0.79
52 YPLRYPRRPR 0.8
53 YPKRYPFRPR 0.81
54 YRRRYPRRDR 0.81
55 YRLRYPRRNR 0.81
56 YHKRYPRHDR 0.81
57 YRKRYPFRNR 0.82
58 YRKRYPRRPR 0.83
59 YPRRYPFRPR 0.84
60 YHRRYPRHDR 0.85
61 YHLRYPRHNR 0.85
62 YRRRYPFRNR 0.86
63 YHKRYPFHNR 0.86
64 YHKRYPRHPR 0.87
65 YRRRYPRRPR 0.87
66 YHKRYPRKDR 0.87
67 YHLRYPRKNR 0.9
68 YHRRYPRHPR 0.9
69 YHRRYPRKDR 0.9
70 YHRRYPFHNR 0.9
71 YHKRYPRKPR 0.92
72 YHKRYPFKNR 0.92
73 YHRRYPFKNR 0.95
74 YHRRYPRKPR 0.96
75 YPLRYPRHDR 0.96
76 YPKRYPFHDR 0.97
77 YHLRYPRRDR 0.99
78 YRKRYPRHDR 0.99
79 YHKRYPFRDR 1.0
80 YPRRYPFHDR 1.01
81 YPLRYPRHPR 1.01
82 YPLRYPFHNR 1.01
83 YPLRYPRKDR 1.02
84 YHLRYPFRNR 1.03
85 YPKRYPFHPR 1.03
86 YRLRYPRHNR 1.03
87 YPKRYPFKDR 1.03
88 YRRRYPRHDR 1.03
89 YHRRYPFRDR 1.03
90 YHLRYPRRPR 1.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPRRYPRRNR

7.98

-13.24

-5.26
2 YPKRYPRHPR

7.31

-12.4

-5.09
3 YPKRYPRRPR

7.29

-11.48

-4.19
4 YPRRYPRRPR

8.27

-12.38

-4.11
5 YPKRYPRRNR

7.57

-11.13

-3.56
6 YPRRYPFRNR

8.03

-11.2

-3.17
7 YPKRYPRHNR

6.91

-10.0

-3.09
8 YPRRYPRKNR

7.77

-10.65

-2.88
9 YPKRYPRKNR

8.3

-11.17

-2.87
10 YPRRYPRHNR

8.21

-10.87

-2.66
11 YPLRYPRRNR

8.29

-10.87

-2.58
12 YPRRYPRRDR

9.49

-12.04

-2.55
13 YPKRYPFRNR

8.43

-10.71

-2.28
14 YHKRYPRRNR

7.94

-10.19

-2.25
15 YPKRYPFHNR

8.27

-10.51

-2.24
16 YPKRYPRHDR

7.82

-9.83

-2.01
17 YPRRYPRHDR

7.99

-9.94

-1.95
18 YHRRYPRHNR

7.68

-9.51

-1.83
19 YHKRYPRKNR

9.66

-11.3

-1.64
20 YPKRYPRRDR

8.92

-10.25

-1.33
21 YHKRYPRHNR

7.28

-8.56

-1.28
22 YHRRYPRRNR

8.51

-9.75

-1.24
23 YRRRYPRRNR

8.63

-9.72

-1.09
24 YHRRYPRKNR

9.18

-10.1

-0.92
25 YPKRYPRKDR

9.54

-10.45

-0.91
26 YHRRYPRRDR

8.62

-8.73

-0.11
27 YPLRYPRHNR

7.73

-7.84

-0.11
28 YRKRYPRRNR

8.82

-8.75

0.07
29 YHKRYPRRDR

8.92

-8.72

0.2
30 YHLRYPRRNR

7.93

-7.31

0.62

 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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