Predicted ligand sequences


ADAN-name: 1K4U2.PDB (view again the scoring matrix)

PDB name: [1K4U.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S K P Q P A V P P R P S A
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
 A
A
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 11.871 ΔGbinding -9.690
TOTAL
 2.181
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.730 Torsional clash 0.090
Van der Waals -8.330 Backbone clash 0.880
Electrostatics -1.600 Helix dipole 0.000
Solvation Polar 5.300 Water bridges -0.410
Solvation Hyd -12.780 Disulfide 0.000
VdW clashes 5.360 Electrost. Kon -1.190
Entropy sc 2.890 Part.cov.bonds 0.000
Entropy mc

1.720

 ΔGstability

83.460
       

Predicted ligand sequences for template [1K4U2.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).
 
  1K4U2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIRRPRRGRRMRH 0.0
2 RMRRPRRGRRMRH 0.03
3 RIHRPRRGRRMRH 0.03
4 RMHRPRRGRRMRH 0.06
5 RIRRPRRGHRMRH 0.08
6 RIKRPRRGRRMRH 0.09
7 RLRRPRRGRRMRH 0.1
8 RMRRPRRGHRMRH 0.11
9 RIHRPRRGHRMRH 0.11
10 KIRRPRRGRRMRH 0.12
11 RMKRPRRGRRMRH 0.12
12 RIRRPRHGRRMRH 0.12
13 RLHRPRRGRRMRH 0.13
14 RIRRPRRGRRMRR 0.14
15 HIRRPRRGRRMRH 0.14
16 RIRRPHRGRRMRH 0.14
17 RMRRPRHGRRMRH 0.14
18 RMHRPRRGHRMRH 0.14
19 KMRRPRRGRRMRH 0.15
20 RIHRPRHGRRMRH 0.15
21 KIHRPRRGRRMRH 0.15
22 RIRRPRRGRRMRK 0.16
23 HMRRPRRGRRMRH 0.17
24 RMRRPHRGRRMRH 0.17
25 RIHRPHRGRRMRH 0.17
26 HIHRPRRGRRMRH 0.17
27 RMRRPRRGRRMRR 0.17
28 RIKRPRRGHRMRH 0.17
29 RMHRPRHGRRMRH 0.17
30 RIHRPRRGRRMRR 0.17
31 RLRRPRRGHRMRH 0.18
32 RIRRPKRGRRMRH 0.18
33 KMHRPRRGRRMRH 0.18
34 RMRRPRRGRRMRK 0.19
35 RLKRPRRGRRMRH 0.19
36 RIHRPRRGRRMRK 0.19
37 RMHRPRRGRRMRR 0.2
38 RMKRPRRGHRMRH 0.2
39 HMHRPRRGRRMRH 0.2
40 RMHRPHRGRRMRH 0.2
41 RIRRPRHGHRMRH 0.2
42 KIRRPRRGHRMRH 0.2
43 KIKRPRRGRRMRH 0.21
44 RIRRPRRGRRPRH 0.21
45 RMRRPKRGRRMRH 0.21
46 RLRRPRHGRRMRH 0.21
47 RIHRPKRGRRMRH 0.21
48 RLHRPRRGHRMRH 0.21
49 RIKRPRHGRRMRH 0.21
50 RMHRPRRGRRMRK 0.22
51 RMRRPRHGHRMRH 0.22
52 RIRRPRRGHRMRR 0.22
53 RIRRPHRGHRMRH 0.22
54 KLRRPRRGRRMRH 0.22
55 HIRRPRRGHRMRH 0.22
56 KMRRPRRGHRMRH 0.23
57 KIRRPRHGRRMRH 0.23
58 RIHRPRHGHRMRH 0.23
59 RIKRPRRGRRMRR 0.23
60 RIKRPHRGRRMRH 0.23
61 RMKRPRHGRRMRH 0.23
62 HIKRPRRGRRMRH 0.23
63 KIHRPRRGHRMRH 0.23
64 RMRRPRRGRRPRH 0.24
65 RLHRPRHGRRMRH 0.24
66 RLRRPHRGRRMRH 0.24
67 KMKRPRRGRRMRH 0.24
68 RIRRPRRGHRMRK 0.24
69 HLRRPRRGRRMRH 0.24
70 RIHRPRRGRRPRH 0.24
71 RMHRPKRGRRMRH 0.24
72 RLRRPRRGRRMRR 0.24
73 KLHRPRRGRRMRH 0.25
74 RMRRPRRGHRMRR 0.25
75 RIKRPRRGRRMRK 0.25
76 RIHRPRRGHRMRR 0.25
77 RMHRPRHGHRMRH 0.25
78 RMRRPHRGHRMRH 0.25
79 HMRRPRRGHRMRH 0.25
80 HIHRPRRGHRMRH 0.25
81 RIHRPHRGHRMRH 0.25
82 RMKRPHRGRRMRH 0.26
83 KMRRPRHGRRMRH 0.26
84 RIRRPRFGRRMRH 0.26
85 KMHRPRRGHRMRH 0.26
86 KIRRPRRGRRMRR 0.26
87 HIRRPRHGRRMRH 0.26
88 RMKRPRRGRRMRR 0.26
89 HMKRPRRGRRMRH 0.26
90 RIRRPRHGRRMRR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RIRRPRRGRRMRH

9.61

-11.36

-1.75
2 RIHRPRRGRRMRR

11.94

-13.57

-1.63
3 RIRRPRRGRRMRR

11.35

-12.88

-1.53
4 RIRRPRRGRRMRK

10.63

-12.1

-1.47
5 HMRRPRRGRRMRH

9.57

-10.87

-1.3
6 RMHRPRHGRRMRH

11.11

-12.24

-1.13
7 RIRRPHRGRRMRH

10.8

-11.77

-0.97
8 RMRRPRRGHRMRH

10.81

-11.66

-0.85
9 RMRRPRHGRRMRH

11.73

-12.55

-0.82
10 RMHRPRRGRRMRH

11.3

-11.98

-0.68
11 RMRRPRRGRRMRR

11.85

-12.36

-0.51
12 RIHRPRRGRRMRH

11.73

-12.21

-0.48
13 KMRRPRRGRRMRH

10.93

-11.37

-0.44
14 RMHRPRRGHRMRH

10.93

-11.3

-0.37
15 RMRRPRRGRRMRH

10.52

-10.78

-0.26
16 RLHRPRRGRRMRH

10.66

-10.88

-0.22
17 KIRRPRRGRRMRH

9.67

-9.85

-0.18
18 RLRRPRRGRRMRH

10.81

-10.84

-0.03
19 RIHRPHRGRRMRH

11.59

-11.35

0.24
20 RIHRPRRGHRMRH

11.29

-10.94

0.35
21 RMKRPRRGRRMRH

11.41

-10.98

0.43
22 HIHRPRRGRRMRH

10.46

-9.94

0.52
23 HIRRPRRGRRMRH

11.59

-10.96

0.63
24 RIHRPRHGRRMRH

12.09

-11.42

0.67
25 RIRRPRRGHRMRH

11.6

-10.88

0.72
26 RIKRPRRGHRMRH

11.61

-10.79

0.82
27 KIHRPRRGRRMRH

11.29

-10.22

1.07
28 RIRRPRHGRRMRH

12.72

-11.41

1.31
29 RMRRPHRGRRMRH

11.84

-10.52

1.32
30 RIKRPRRGRRMRH

12.05

-10.01

2.04

 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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