Predicted ligand sequences


ADAN-name: 1K2N2.PDB (view again the scoring matrix)

PDB name: [1K2N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E V E L p Q E L P
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 10.442 ΔGbinding 0.264
TOTAL
 10.706
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -4.788 Torsional clash 2.016
Van der Waals -6.267 Backbone clash 0.093
Electrostatics -0.932 Helix dipole 0.000
Solvation Polar 8.692 Water bridges -0.238
Solvation Hyd -7.575 Disulfide 0.000
VdW clashes 5.470 Electrost. Kon -0.985
Entropy sc 2.035 Part.cov.bonds 0.000
Entropy mc

5.386

 ΔGstability

194.751
       

Predicted ligand sequences for template [1K2N2.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).
 
  1K2N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yyYyDNKHK 0.0
2 yyYyDNKHR 0.05
3 yyYyDNQHK 0.13
4 FyYyDNKHK 0.13
5 yyYyDNQHR 0.17
6 YyYyDNKHK 0.17
7 FyYyDNKHR 0.18
8 yyYyDNNHK 0.19
9 yyYyDEKHK 0.2
10 YyYyDNKHR 0.21
11 yyyyDNKHK 0.21
12 yyYyDNNHR 0.23
13 yyYyDEKHR 0.24
14 FyYyDNQHK 0.26
15 yyyyDNKHR 0.26
16 yyYsDNKHK 0.27
17 YyYyDNQHK 0.29
18 FyYyDNQHR 0.31
19 FyYyDNNHK 0.32
20 yyYyDEQHK 0.32
21 yyYyDsKHK 0.32
22 yyYsDNKHR 0.32
23 FyYyDEKHK 0.33
24 YyYyDNQHR 0.34
25 FyyyDNKHK 0.34
26 yyyyDNQHK 0.34
27 YyYyDNNHK 0.35
28 YyYyDEKHK 0.36
29 yyYyDsKHR 0.36
30 yyYyDNKHF 0.36
31 FyYyDNNHR 0.37
32 yyYyDEQHR 0.37
33 FyYyDEKHR 0.38
34 YyyyDNKHK 0.38
35 yyyyDNQHR 0.38
36 yyYyDENHK 0.38
37 FyyyDNKHR 0.39
38 yyYsDNQHK 0.4
39 yyyyDNNHK 0.4
40 YyYyDNNHR 0.4
41 FyYsDNKHK 0.41
42 yyyyDEKHK 0.41
43 YyYyDEKHR 0.41
44 YyyyDNKHR 0.42
45 yyYyDENHR 0.43
46 YyYsDNKHK 0.44
47 yyYyDsQHK 0.44
48 FyYsDNKHR 0.45
49 FyYyDsKHK 0.45
50 yyYsDNQHR 0.45
51 yyyyDEKHR 0.45
52 yyyyDNNHR 0.45
53 yyYsDNNHK 0.46
54 FyYyDEQHK 0.46
55 FyyyDNQHK 0.47
56 yYYyDNKHK 0.47
57 yyYsDEKHK 0.47
58 yyysDNKHK 0.48
59 YyYsDNKHR 0.48
60 YyYyDsKHK 0.48
61 yyYyDNQHF 0.49
62 yyYyDsQHR 0.49
63 YyYyDEQHK 0.49
64 FyYyDsKHR 0.5
65 FyYyDEQHR 0.5
66 yyYyDsNHK 0.5
67 YyyyDNQHK 0.5
68 FyYyDNKHF 0.5
69 yyYsDNNHR 0.51
70 yYYyDNKHR 0.51
71 yyYsDEKHR 0.51
72 FyYyDENHK 0.52
73 FyyyDNQHR 0.52
74 yyysDNKHR 0.53
75 FyYsDNQHK 0.53
76 yyyyDEQHK 0.53
77 yyyyDsKHK 0.53
78 FyyyDNNHK 0.53
79 YyYyDNKHF 0.53
80 YyYyDsKHR 0.53
81 YyYyDEQHR 0.53
82 FyyyDEKHK 0.54
83 yyYyDNNHF 0.55
84 yyYyDsNHR 0.55
85 YyYyDENHK 0.55
86 YyyyDNQHR 0.55
87 YyyyDNNHK 0.56
88 FyYyDENHR 0.56
89 YyYsDNQHK 0.56
90 yyYyDEKHF 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yyyyDNKHR

3.81

-10.97

-7.16
2 yyYsDNKHK

3.9

-10.91

-7.01
3 yyyyDNKHK

4.01

-10.6

-6.59
4 yyYyDNKHK

3.93

-10.05

-6.12
5 yyYyDEKHK

3.93

-9.83

-5.9
6 FyYyDNKHR

3.85

-9.69

-5.84
7 YyYyDNNHK

4.24

-9.54

-5.3
8 yyYyDNQHK

3.86

-9.1

-5.24
9 yyYyDNQHR

4.01

-9.08

-5.07
10 yyYyDsKHK

3.96

-8.88

-4.92
11 FyYyDEKHK

3.95

-8.58

-4.63
12 YyYyDNKHR

3.93

-8.38

-4.45
13 yyYyDEKHR

4.06

-8.51

-4.45
14 yyYyDNNHR

4.44

-8.84

-4.4
15 FyYyDNQHR

4.18

-8.46

-4.28
16 yyYyDsKHR

3.89

-8.14

-4.25
17 YyYyDEKHK

3.9

-8.08

-4.18
18 yyYyDNKHF

4.01

-7.46

-3.45
19 yyYsDNKHR

7.37

-10.68

-3.31
20 FyYyDNQHK

4.35

-7.61

-3.26
21 yyYyDEQHK

4.84

-7.8

-2.96
22 yyYyDNNHK

3.97

-6.86

-2.89
23 YyYyDNQHK

3.92

-6.72

-2.8
24 FyYyDNNHK

4.12

-6.09

-1.97
25 yyyyDNQHK

7.16

-8.19

-1.03
26 YyYyDNQHR

7.01

-7.96

-0.95
27 FyYyDNKHK

7.03

-7.35

-0.32
28 yyYyDNKHR

7.34

-6.92

0.42
29 FyyyDNKHK

11.67

-8.62

3.05
30 YyYyDNKHK

11.72

-7.15

4.57

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER