Predicted ligand sequences


ADAN-name: 1K9Q2.PDB (view again the scoring matrix)

PDB name: [1K9Q.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P P P Y
position 1 2 3 4 5
poly-Ala
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 11.693 ΔGbinding 0.363
TOTAL
 12.056
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -2.413 Torsional clash 0.869
Van der Waals -5.545 Backbone clash 0.401
Electrostatics 0.036 Helix dipole 0.000
Solvation Polar 4.793 Water bridges -0.004
Solvation Hyd -7.797 Disulfide 0.000
VdW clashes 8.614 Electrost. Kon 0.005
Entropy sc 1.252 Part.cov.bonds 0.000
Entropy mc

1.190

 ΔGstability

70.712
       

Predicted ligand sequences for template [1K9Q2.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).
 
  1K9Q2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WREGK 0.0
2 WRQGK 0.01
3 WRAGK 0.11
4 WREGR 0.14
5 WRQGR 0.15
6 WRAGR 0.24
7 HREGK 0.26
8 HRQGK 0.27
9 RREGK 0.3
10 RRQGK 0.31
11 HRAGK 0.36
12 WREGM 0.37
13 WREPK 0.37
14 WRQPK 0.38
15 WRQGM 0.38
16 HREGR 0.39
17 WRPGK 0.39
18 MREGK 0.39
19 MRQGK 0.4
20 HRQGR 0.4
21 RRAGK 0.4
22 RREGR 0.43
23 RRQGR 0.44
24 WRERK 0.44
25 WRQRK 0.45
26 WREDK 0.47
27 WRAGM 0.47
28 WRQDK 0.48
29 WRAPK 0.48
30 HRAGR 0.5
31 MRAGK 0.5
32 WREPR 0.51
33 WRQPR 0.52
34 WRPGR 0.53
35 MREGR 0.53
36 MRQGR 0.54
37 RRAGR 0.54
38 WRARK 0.55
39 WRADK 0.57
40 WRERR 0.58
41 WRQRR 0.59
42 WREDR 0.6
43 WRQDR 0.61
44 WRAPR 0.61
45 HREGM 0.62
46 HREPK 0.62
47 HRQGM 0.63
48 HRQPK 0.64
49 MRAGR 0.64
50 HRPGK 0.65
51 RREGM 0.66
52 RRQGM 0.67
53 RREPK 0.67
54 WRARR 0.68
55 RRQPK 0.68
56 RRPGK 0.69
57 HRERK 0.7
58 HRQRK 0.71
59 WRADR 0.71
60 HREDK 0.72
61 HRAGM 0.73
62 HRAPK 0.73
63 HRQDK 0.73
64 WREPM 0.73
65 RRERK 0.74
66 WRQPM 0.75
67 RRQRK 0.75
68 HREPR 0.76
69 WRPGM 0.76
70 WRPPK 0.76
71 MREPK 0.76
72 MREGM 0.76
73 RREDK 0.76
74 HRQPR 0.77
75 MRQPK 0.77
76 RRQDK 0.77
77 MRQGM 0.77
78 RRAGM 0.77
79 RRAPK 0.77
80 HRPGR 0.78
81 MRPGK 0.79
82 RREPR 0.8
83 HRARK 0.8
84 WRERM 0.81
85 RRQPR 0.81
86 WRQRM 0.82
87 HRADK 0.83
88 WREDM 0.83
89 WRPRK 0.83
90 RRPGR 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRAPK

5.6

-1.19

4.41
2 MREGK

5.7

-1.1

4.6
3 WRAGK

5.9

-1.21

4.69
4 WRAGR

5.77

-1.0

4.77
5 WRQGR

5.8

-0.68

5.12
6 RRQGK

5.68

-0.45

5.23
7 WRQGM

5.38

-0.07

5.31
8 MRQGK

5.98

-0.14

5.84
9 WRPGK

5.57

0.31

5.88
10 WREGK

5.93

-0.04

5.89
11 WRAGM

5.73

0.38

6.11
12 WREDK

5.86

0.26

6.12
13 HREGK

5.59

0.58

6.17
14 HREGR

5.35

0.95

6.3
15 HRAGR

5.59

0.72

6.31
16 RREGR

5.74

0.58

6.32
17 WRQGK

5.74

0.6

6.34
18 RRAGK

5.66

0.99

6.65
19 HRAGK

5.58

1.18

6.76
20 WRQDK

6.91

0.1

7.01
21 HRQGR

5.81

1.29

7.1
22 RRQGR

5.68

1.45

7.13
23 RREGK

5.62

1.53

7.15
24 HRQGK

5.7

1.65

7.35
25 WRQPK

6.14

1.43

7.57
26 WRERK

5.68

2.34

8.02
27 WREGM

6.01

2.38

8.39
28 WREGR

5.94

2.75

8.69
29 WRQRK

8.26

0.48

8.74
30 WREPK

5.7

3.05

8.75

 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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