Predicted ligand sequences


ADAN-name: 1JU53.PDB (view again the scoring matrix)

PDB name: [1JU5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P R P P V P P S P A Q
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala
G
 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 8.246 ΔGbinding -8.280
TOTAL
 -0.034
Backbone Hb -1.560 Cis_bond 0.000
Sidechain Hb -2.400 Torsional clash 0.010
Van der Waals -8.920 Backbone clash 1.060
Electrostatics -0.890 Helix dipole 0.000
Solvation Polar 8.080 Water bridges -0.660
Solvation Hyd -12.390 Disulfide 0.000
VdW clashes 5.230 Electrost. Kon -0.840
Entropy sc 3.730 Part.cov.bonds 0.000
Entropy mc

2.320

 ΔGstability

38.930
       

Predicted ligand sequences for template [1JU53.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).
 
  1JU53.PDB  

(data)
# Predicted Sequences Value Calculate
1 GANGGMPPMDHF 0.0
2 GANGGMPPMDHK 0.0
3 GANGGMPPMDCK 0.01
4 GANGGMPPMDCF 0.01
5 GANGGMPPMDCY 0.01
6 GANGGMPPMDAF 0.01
7 GANGGMPPMDAK 0.01
8 GANGGMPPMDAY 0.01
9 GANGGMPPMDHY 0.01
10 GANGGFPPMDHY 0.01
11 GANGGFPPMDHF 0.01
12 GANGGFPPMDHK 0.01
13 GANGGFPPMDAK 0.02
14 GANGGFPPMDAF 0.02
15 GANGGFPPMDAY 0.02
16 GANGGFPPMDCY 0.02
17 GANGGFPPMDCF 0.02
18 GANGGFPPMDCK 0.02
19 GANGFMPPMDHK 0.05
20 GANGFMPPMDHF 0.05
21 GANGTMPPMDHF 0.05
22 GANGTMPPMDHK 0.05
23 GAHGGMPPMDHK 0.05
24 GAHGGMPPMDHF 0.05
25 GANGFMPPMDHY 0.06
26 GAHGGFPPMDHY 0.06
27 GAHGGFPPMDHK 0.06
28 GAHGGFPPMDHF 0.06
29 GANGGFPGMDHK 0.06
30 GANGGFPGMDHF 0.06
31 GAHGGMPPMDCK 0.06
32 GAHGGMPPMDCF 0.06
33 GANGFMPPMDCK 0.06
34 GANGFMPPMDCF 0.06
35 GANGTMPPMDHY 0.06
36 GANGFFPPMDHK 0.06
37 GANGFFPPMDHF 0.06
38 GANGFFPPMDHY 0.06
39 GAHGGMPPMDHY 0.06
40 GANGTFPPMDHY 0.06
41 GANGTFPPMDHF 0.06
42 GANGTFPPMDHK 0.06
43 GANGFMPPMDAF 0.06
44 GANGFMPPMDAK 0.06
45 GANGTMPPMDCK 0.06
46 GANGTMPPMDCF 0.06
47 GANGTMPPMDAK 0.06
48 GANGTMPPMDAF 0.06
49 GANGGMPGMDHY 0.06
50 GANGGMPGMDHK 0.06
51 GANGGMPGMDHF 0.06
52 GAHGGMPPMDAF 0.06
53 GAHGGMPPMDAK 0.06
54 GANGTFPPMDAK 0.07
55 GANGTFPPMDAF 0.07
56 GANGTFPPMDAY 0.07
57 GANGFFPPMDAK 0.07
58 GANGFFPPMDAF 0.07
59 GANGFFPPMDAY 0.07
60 GANGGMPGMDCY 0.07
61 GANGGMPGMDCK 0.07
62 GANGGMPGMDCF 0.07
63 GANGGFPGMDHY 0.07
64 GAHGGMPPMDCY 0.07
65 GANGTFPPMDCF 0.07
66 GANGTFPPMDCK 0.07
67 GANGTFPPMDCY 0.07
68 GANGGMPGMDAY 0.07
69 GANGGMPGMDAK 0.07
70 GANGGMPGMDAF 0.07
71 GANGFMPPMDCY 0.07
72 GAHGGFPPMDAY 0.07
73 GAHGGFPPMDAF 0.07
74 GAHGGFPPMDAK 0.07
75 GANGFMPPMDAY 0.07
76 GANGGFPGMDCK 0.07
77 GANGGFPGMDCF 0.07
78 GANGTMPPMDAY 0.07
79 GANGFFPPMDCY 0.07
80 GANGFFPPMDCF 0.07
81 GANGFFPPMDCK 0.07
82 GAHGGFPPMDCK 0.07
83 GAHGGFPPMDCF 0.07
84 GAHGGFPPMDCY 0.07
85 GANGGFPGMDAF 0.07
86 GANGGFPGMDAK 0.07
87 GANGTMPPMDCY 0.07
88 GAHGGMPPMDAY 0.07
89 GANGGFPGMDCY 0.08
90 GANGGFPGMDAY 0.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GANGTMPPMDHF

5.3

-9.17

-3.87
2 GANGGMPPMDHY

5.97

-9.74

-3.77
3 GANGGFPPMDHY

5.53

-9.11

-3.58
4 GANGGFPPMDCF

5.46

-8.92

-3.46
5 GANGGFPPMDCY

5.39

-8.81

-3.42
6 GANGGFPPMDAY

5.71

-8.82

-3.11
7 GANGGFPPMDHF

6.0

-9.03

-3.03
8 GAHGGFPPMDHY

5.98

-8.93

-2.95
9 GANGGMPPMDAF

6.9

-9.73

-2.83
10 GAHGGFPPMDHK

4.75

-7.55

-2.8
11 GANGGMPPMDHF

6.63

-9.3

-2.67
12 GAHGGMPPMDHK

7.13

-9.79

-2.66
13 GANGGMPPMDAY

6.41

-9.0

-2.59
14 GANGFMPPMDHF

7.08

-9.65

-2.57
15 GANGGFPPMDAF

6.35

-8.91

-2.56
16 GANGGMPPMDCF

6.6

-8.94

-2.34
17 GANGGMPPMDHK

6.71

-8.81

-2.1
18 GAHGGFPPMDHF

5.79

-7.84

-2.05
19 GANGFMPPMDHY

7.05

-9.04

-1.99
20 GANGGFPPMDCK

6.32

-8.21

-1.89
21 GANGTMPPMDHK

7.06

-8.87

-1.81
22 GAHGGMPPMDHF

7.6

-9.35

-1.75
23 GANGGFPGMDHK

6.08

-7.82

-1.74
24 GANGGMPPMDCY

6.86

-8.41

-1.55
25 GANGFMPPMDHK

6.81

-8.14

-1.33
26 GANGGMPPMDAK

6.47

-7.78

-1.31
27 GANGGMPPMDCK

6.5

-7.65

-1.15
28 GANGGFPGMDHF

6.7

-7.66

-0.96
29 GANGGFPPMDHK

7.17

-7.98

-0.81
30 GANGGFPPMDAK

7.04

-7.09

-0.05

 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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