Predicted ligand sequences


ADAN-name: 1K3N2.PDB (view again the scoring matrix)

PDB name: [1K3N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K M T F Q p P T D P L E
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 2.153 ΔGbinding -2.526
TOTAL
 -0.373
Backbone Hb -2.762 Cis_bond 0.000
Sidechain Hb -4.837 Torsional clash 2.345
Van der Waals -5.056 Backbone clash 0.287
Electrostatics -1.331 Helix dipole 0.000
Solvation Polar 9.609 Water bridges -0.565
Solvation Hyd -4.747 Disulfide 0.000
VdW clashes 0.182 Electrost. Kon -1.293
Entropy sc 1.929 Part.cov.bonds 0.000
Entropy mc

4.001

 ΔGstability

177.788
       

Predicted ligand sequences for template [1K3N2.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).
 
  1K3N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yspPPsyDFKDRP 0.0
2 yspyPsyDFKDRP 0.05
3 yspsPsyDFKDRP 0.08
4 yspPPsyDHKDRP 0.1
5 yspPPsyDLKDRP 0.11
6 yspPPsyDFKNRP 0.13
7 ySpPPsyDFKDRP 0.14
8 FspPPsyDFKDRP 0.14
9 yDpPPsyDFKDRP 0.14
10 YspPPsyDFKDRP 0.14
11 yspPPsEDFKDRP 0.15
12 yspyPsyDLKDRP 0.16
13 yspyPsyDHKDRP 0.16
14 yspyPsyDFKNRP 0.18
15 ySpyPsyDFKDRP 0.19
16 yspPssyDFKDRP 0.19
17 yspsPsyDHKDRP 0.19
18 yspsPsyDLKDRP 0.19
19 yspyPsEDFKDRP 0.2
20 yDpyPsyDFKDRP 0.2
21 FspyPsyDFKDRP 0.2
22 yspPPsyDFKsRP 0.2
23 YspyPsyDFKDRP 0.2
24 yspsPsyDFKNRP 0.21
25 yspPPsyDFIDRP 0.22
26 yDpsPsyDFKDRP 0.22
27 yspPPsyDFKDRF 0.22
28 ySpsPsyDFKDRP 0.22
29 FspsPsyDFKDRP 0.23
30 YspsPsyDFKDRP 0.23
31 yspPPsyDHKNRP 0.23
32 ysVPPsyDFKDRP 0.23
33 yspsPsEDFKDRP 0.23
34 yDpPPsyDHKDRP 0.24
35 yspyssyDFKDRP 0.24
36 ySpPPsyDHKDRP 0.24
37 yspPPsyDLKNRP 0.24
38 yspPPsyDFKDRI 0.24
39 ySpPPsyDLKDRP 0.24
40 yspyPsyDFKsRP 0.25
41 ysWPPsyDFKDRP 0.25
42 FspPPsyDHKDRP 0.25
43 yDpPPsyDLKDRP 0.25
44 YspPPsyDHKDRP 0.25
45 YspPPsyDLKDRP 0.25
46 yspPPsEDLKDRP 0.25
47 FspPPsyDLKDRP 0.25
48 yspPPsEDHKDRP 0.25
49 yspsssyDFKDRP 0.27
50 ySpPPsyDFKNRP 0.27
51 YspPPsyDFKNRP 0.27
52 yDpPPsyDFKNRP 0.27
53 FspPPsyDFKNRP 0.27
54 yspPPsEDFKNRP 0.28
55 yspyPsyDFIDRP 0.28
56 yspsPsyDFKsRP 0.28
57 YSpPPsyDFKDRP 0.28
58 yspyPsyDFKDRF 0.28
59 ySpPPsEDFKDRP 0.28
60 FSpPPsyDFKDRP 0.28
61 FspPPsEDFKDRP 0.29
62 YDpPPsyDFKDRP 0.29
63 ySpyPsyDHKDRP 0.29
64 yspyPsyDLKNRP 0.29
65 YspPPsEDFKDRP 0.29
66 yspPssyDHKDRP 0.29
67 yspPssyDLKDRP 0.29
68 yspyPsyDHKNRP 0.29
69 yspyPsyDFKDRI 0.29
70 ysVyPsyDFKDRP 0.29
71 FDpPPsyDFKDRP 0.29
72 yDpPPsEDFKDRP 0.29
73 yspsPsyDFKDRF 0.3
74 yspPPsyDLKsRP 0.3
75 yDpyPsyDHKDRP 0.3
76 yspPPsyDHKsRP 0.3
77 YspyPsyDHKDRP 0.3
78 ySpyPsyDLKDRP 0.3
79 FspyPsyDHKDRP 0.3
80 yDpyPsyDLKDRP 0.3
81 yspyPsEDHKDRP 0.3
82 yspyPsEDLKDRP 0.31
83 yspsPsyDFIDRP 0.31
84 ysWyPsyDFKDRP 0.31
85 FspyPsyDLKDRP 0.31
86 yspsPsyDHKNRP 0.31
87 YspyPsyDLKDRP 0.31
88 yspsPsyDFKDRI 0.32
89 yspsPsyDLKNRP 0.32
90 ysVsPsyDFKDRP 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yspyPsyDLKDRP

0.93

-8.43

-7.5
2 FspyPsyDFKDRP

2.65

-9.3

-6.65
3 yspsPsyDLKDRP

1.61

-8.07

-6.46
4 yspPPsyDLKDRP

2.17

-8.57

-6.4
5 YspyPsyDFKDRP

2.24

-8.54

-6.3
6 yspPPsyDHKDRP

0.65

-6.74

-6.09
7 yspyPsEDFKDRP

2.13

-8.04

-5.91
8 yDpPPsyDFKDRP

2.64

-8.38

-5.74
9 yDpsPsyDFKDRP

2.29

-7.94

-5.65
10 yspyPsyDHKDRP

1.28

-6.83

-5.55
11 yspPPsyDFKDRP

1.44

-6.96

-5.52
12 YspsPsyDFKDRP

2.64

-8.1

-5.46
13 yspPPsyDFKDRF

1.28

-6.64

-5.36
14 yspPPsEDFKDRP

2.33

-7.3

-4.97
15 ySpPPsyDFKDRP

2.72

-7.66

-4.94
16 FspsPsyDFKDRP

2.41

-7.32

-4.91
17 yspyPsyDFKDRP

2.56

-7.43

-4.87
18 yspPPsyDFKsRP

2.37

-7.15

-4.78
19 yspsPsyDHKDRP

1.25

-5.89

-4.64
20 yspsPsyDFKDRP

1.49

-5.96

-4.47
21 yspPssyDFKDRP

2.52

-6.88

-4.36
22 yspyPsyDFKNRP

2.43

-6.62

-4.19
23 FspPPsyDFKDRP

2.37

-6.44

-4.07
24 yDpyPsyDFKDRP

2.09

-6.16

-4.07
25 ySpsPsyDFKDRP

2.06

-5.68

-3.62
26 yspsPsyDFKNRP

1.98

-5.51

-3.53
27 yspPPsyDFKNRP

2.41

-5.82

-3.41
28 ySpyPsyDFKDRP

2.37

-5.39

-3.02
29 YspPPsyDFKDRP

2.29

-5.12

-2.83
30 yspPPsyDFIDRP

2.73

-5.33

-2.6

 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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