Predicted ligand sequences


ADAN-name: 2VKN2.PDB (view again the scoring matrix)

PDB name: [2VKN.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P L P P L P L A
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 0.660 ΔGbinding -13.420
TOTAL
 -12.760
Backbone Hb -1.320 Cis_bond 0.000
Sidechain Hb -2.110 Torsional clash 0.010
Van der Waals -7.930 Backbone clash 0.520
Electrostatics -1.160 Helix dipole 0.000
Solvation Polar 6.480 Water bridges -0.350
Solvation Hyd -11.220 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -1.170
Entropy sc 4.020 Part.cov.bonds 0.000
Entropy mc

1.150

 ΔGstability

-8.480
       

Predicted ligand sequences for template [2VKN2.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).
 
  2VKN2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRLRFLMRE 0.0
2 RRLRYLMRE 0.02
3 RRLRFLMHE 0.03
4 RRLPFLMRE 0.04
5 RRLRYLMHE 0.05
6 RRLRFLMFE 0.05
7 RRLRILMRE 0.05
8 RRLPYLMRE 0.06
9 RRLPFLMHE 0.07
10 RRLRYLMFE 0.07
11 RRLRILMHE 0.08
12 RRLPFLMFE 0.09
13 RRLPYLMHE 0.09
14 RRLPILMRE 0.09
15 RRLRILMFE 0.1
16 RRLPYLMFE 0.11
17 RRLPILMHE 0.12
18 RRLPILMFE 0.14
19 RRLRFLMRM 0.21
20 RRLRYLMRM 0.23
21 RRLRFLMHM 0.24
22 RRLRFLMRQ 0.25
23 RRLPFLMRM 0.25
24 RRLRFEMRE 0.25
25 RRLRYLMHM 0.26
26 RRLRFLMFM 0.26
27 RRLRILMRM 0.26
28 RRLRYEMRE 0.27
29 RRLPYLMRM 0.27
30 RRLRYLMRQ 0.27
31 RRLRFEMHE 0.28
32 RRLRFLMHQ 0.28
33 RRLPFLMHM 0.28
34 RRLRYLMFM 0.28
35 RRLPFLMRQ 0.29
36 RRLRILMHM 0.29
37 RRLPFEMRE 0.29
38 RRLPFLMFM 0.3
39 RRLRFEMFE 0.3
40 RRLRYLMHQ 0.3
41 RRLRYEMHE 0.3
42 RRLRFLMFQ 0.3
43 RKLRFLMRE 0.3
44 RRLRILMRQ 0.3
45 RRLRIEMRE 0.3
46 RRLPYLMHM 0.3
47 RRLPILMRM 0.3
48 RRLRILMFM 0.31
49 RRLPYEMRE 0.31
50 RRLPYLMRQ 0.31
51 RRLRYEMFE 0.32
52 RRLPFEMHE 0.32
53 RKLRYLMRE 0.32
54 RRLPFLMHQ 0.32
55 RRLRYLMFQ 0.32
56 RRLPYLMFM 0.32
57 RRLPILMHM 0.33
58 RRLRIEMHE 0.33
59 RRLRILMHQ 0.33
60 RKLRFLMHE 0.33
61 RRLRFMMRE 0.34
62 RKLPFLMRE 0.34
63 RRLPFLMFQ 0.34
64 RRLPIEMRE 0.34
65 RRLPYEMHE 0.34
66 RRLPFEMFE 0.34
67 RRLPYLMHQ 0.34
68 RRLPILMRQ 0.34
69 RKLRILMRE 0.35
70 RKLRYLMHE 0.35
71 RRLRILMFQ 0.35
72 RRLPILMFM 0.35
73 RRLRIEMFE 0.35
74 RKLRFLMFE 0.35
75 RRLRYMMRE 0.36
76 RDLRFLMRE 0.36
77 RRLPYEMFE 0.36
78 RKLPYLMRE 0.36
79 RRLPYLMFQ 0.36
80 RRLPILMHQ 0.37
81 RKLPFLMHE 0.37
82 RKLRYLMFE 0.37
83 RRLPIEMHE 0.37
84 RRLRFMMHE 0.37
85 RDLRYLMRE 0.38
86 RKLRILMHE 0.38
87 RRLPFMMRE 0.38
88 RRLRFMMFE 0.39
89 RRLPILMFQ 0.39
90 RRLRIMMRE 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRLPILMRE

0.58

-15.41

-14.83
2 RRLPFLMFE

0.46

-15.27

-14.81
3 RRLPYLMRM

0.56

-15.14

-14.58
4 RRLPYLMRE

0.87

-15.29

-14.42
5 RRLRYLMHE

0.72

-14.96

-14.24
6 RRLPYLMFE

0.82

-15.0

-14.18
7 RRLRFLMRM

1.05

-15.22

-14.17
8 RRLPFLMHE

0.99

-15.11

-14.12
9 RRLRFLMRE

0.99

-15.04

-14.05
10 RRLPILMHE

0.89

-14.94

-14.05
11 RRLRILMRE

0.93

-14.93

-14.0
12 RRLRFLMHE

1.19

-15.08

-13.89
13 RRLRILMRM

0.96

-14.85

-13.89
14 RRLRYLMFE

0.92

-14.79

-13.87
15 RRLRFLMFE

1.27

-14.95

-13.68
16 RRLRYLMRQ

0.98

-14.64

-13.66
17 RRLRYLMHM

0.86

-14.48

-13.62
18 RRLRILMFE

1.16

-14.69

-13.53
19 RRLRFLMHM

1.0

-14.52

-13.52
20 RRLRFLMRQ

1.05

-14.51

-13.46
21 RRLPFLMRM

0.85

-14.29

-13.44
22 RRLRILMHE

0.64

-14.03

-13.39
23 RRLPFLMRE

0.64

-14.01

-13.37
24 RRLRYLMRM

1.0

-14.31

-13.31
25 RRLPILMFE

0.78

-13.93

-13.15
26 RRLRYEMRE

0.87

-13.93

-13.06
27 RRLRYLMRE

1.2

-14.22

-13.02
28 RRLPYLMHE

1.03

-14.04

-13.01
29 RRLRFLMFM

1.17

-13.5

-12.33
30 RRLRFEMRE

0.95

-13.21

-12.26

 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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