Predicted ligand sequences


ADAN-name: 1UJK2.PDB (view again the scoring matrix)

PDB name: [1UJK.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D D I s L L K
position 1 2 3 4 5 6 7
poly-Ala
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 4.038 ΔGbinding -16.098
TOTAL
 -12.060
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -5.125 Torsional clash 0.853
Van der Waals -9.161 Backbone clash 0.299
Electrostatics -2.324 Helix dipole 0.029
Solvation Polar 12.526 Water bridges -0.811
Solvation Hyd -14.059 Disulfide 0.000
VdW clashes 0.709 Electrost. Kon -1.284
Entropy sc 4.692 Part.cov.bonds 0.000
Entropy mc

2.682

 ΔGstability

-22.681
       

Predicted ligand sequences for template [1UJK2.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).
 
  1UJK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HDMMMFW 0.0
2 HDMLMFW 0.0
3 HDMKMFW 0.01
4 HDMLMLW 0.01
5 HDMMMLW 0.02
6 HDMLMMW 0.02
7 HDMKMLW 0.03
8 HDMMMMW 0.03
9 HDMKMMW 0.04
10 HDILMFW 0.18
11 HDIMMFW 0.18
12 HDIKMFW 0.19
13 HDILMLW 0.19
14 HDILMMW 0.2
15 HDIMMMW 0.2
16 HDWLMFW 0.2
17 HDIMMLW 0.2
18 HDWMMFW 0.21
19 HDIKMLW 0.21
20 HDIKMMW 0.21
21 HDWLMMW 0.22
22 HDWMMLW 0.22
23 HDWLMLW 0.22
24 HDWKMFW 0.22
25 HDWMMMW 0.23
26 HDMLIFW 0.23
27 HDWKMLW 0.23
28 HDWKMMW 0.24
29 HDMMIFW 0.24
30 HDMKIFW 0.25
31 HDMMILW 0.25
32 HDMLIMW 0.25
33 HDMLILW 0.25
34 HDMKILW 0.26
35 HDMMIMW 0.26
36 HDMKIMW 0.27
37 HDMLFFW 0.39
38 HDMMFFW 0.39
39 SDMMMFW 0.39
40 SDMLMFW 0.39
41 HDMMFLW 0.4
42 SDMKMFW 0.4
43 HDMKFFW 0.4
44 SDMLMLW 0.4
45 HDMLFLW 0.4
46 SDMMMLW 0.41
47 HDILIFW 0.41
48 HDMMFMW 0.41
49 SDMLMMW 0.41
50 HDMLFMW 0.41
51 HDMKFLW 0.41
52 HDIMIFW 0.41
53 SDMMMMW 0.42
54 HDIKIFW 0.42
55 HDMKFMW 0.42
56 HDILILW 0.42
57 SDMKMLW 0.42
58 HDIMILW 0.43
59 HDWLIFW 0.43
60 HDILIMW 0.43
61 SDMKMMW 0.43
62 HDIKILW 0.44
63 HDWMIFW 0.44
64 HDIMIMW 0.44
65 HDWLIMW 0.45
66 HDWLILW 0.45
67 HDWKIFW 0.45
68 HDWMILW 0.45
69 HDIKIMW 0.45
70 HDWMIMW 0.46
71 HDWKILW 0.46
72 HDWKIMW 0.47
73 HDILFFW 0.56
74 SDIMMFW 0.57
75 HDIMFFW 0.57
76 SDILMFW 0.57
77 HDIKFFW 0.58
78 SDIKMFW 0.58
79 HDILFMW 0.58
80 HDIMFLW 0.58
81 HDILFLW 0.58
82 SDILMLW 0.58
83 SDWMMFW 0.59
84 HDWMFFW 0.59
85 HDWLFFW 0.59
86 SDIMMLW 0.59
87 HDIMFMW 0.59
88 SDIMMMW 0.59
89 SDILMMW 0.59
90 HDIKFLW 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HDILMLW

2.11

-14.62

-12.51
2 HDIMMLW

2.02

-14.17

-12.15
3 HDILMMW

2.09

-13.97

-11.88
4 HDMKMLW

1.89

-13.73

-11.84
5 HDMMMFW

1.97

-13.78

-11.81
6 HDILMFW

2.54

-14.24

-11.7
7 HDMLMLW

2.06

-13.7

-11.64
8 HDIKMFW

2.25

-13.78

-11.53
9 HDIKMLW

2.01

-13.34

-11.33
10 HDMKIFW

2.37

-13.67

-11.3
11 HDMMIFW

2.59

-13.8

-11.21
12 HDMMMLW

2.34

-13.44

-11.1
13 HDMMMMW

1.85

-12.91

-11.06
14 HDIKMMW

1.98

-12.97

-10.99
15 HDWLMFW

2.29

-13.24

-10.95
16 HDIMMMW

1.9

-12.78

-10.88
17 HDMLMMW

2.15

-12.94

-10.79
18 HDMLMFW

2.14

-12.87

-10.73
19 HDWLMLW

2.19

-12.83

-10.64
20 HDMLIFW

2.05

-12.65

-10.6
21 HDWMMMW

1.89

-12.34

-10.45
22 HDMKMFW

2.23

-12.58

-10.35
23 HDWMMFW

2.31

-12.61

-10.3
24 HDMKMMW

1.9

-12.19

-10.29
25 HDWKMLW

2.3

-12.46

-10.16
26 HDWMMLW

2.12

-12.16

-10.04
27 HDWLMMW

2.0

-11.77

-9.77
28 HDIMMFW

2.0

-11.73

-9.73
29 HDWKMMW

2.93

-11.5

-8.57
30 HDWKMFW

2.82

-9.45

-6.63

 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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