Predicted ligand sequences


ADAN-name: 2OJ22.PDB (view again the scoring matrix)

PDB name: [2OJ2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H S K Y P L P P L P S L
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala 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 11.650 ΔGbinding -3.500
TOTAL
 8.150
Backbone Hb -1.910 Cis_bond 0.000
Sidechain Hb -2.010 Torsional clash 0.420
Van der Waals -11.930 Backbone clash 1.460
Electrostatics -1.290 Helix dipole 0.000
Solvation Polar 14.160 Water bridges -1.140
Solvation Hyd -15.940 Disulfide 0.000
VdW clashes 5.540 Electrost. Kon -1.210
Entropy sc 6.140 Part.cov.bonds 0.000
Entropy mc

5.670

 ΔGstability

50.820
       

Predicted ligand sequences for template [2OJ22.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).
 
  2OJ22.PDB  

(data)
# Predicted Sequences Value Calculate
1 NMRMHKPPLRFG 0.0
2 NMRMHKPPLRHG 0.0
3 NMRMHKPPLRYG 0.01
4 GMRMHKPPLRHG 0.02
5 GMRMHKPPLRFG 0.02
6 GMRMHKPPLRYG 0.03
7 CMRMHKPPLRFG 0.07
8 NMRMHKMPLRFG 0.07
9 CMRMHKPPLRHG 0.07
10 NMRMHKMPLRHG 0.07
11 NMRMHKMPLRYG 0.08
12 CMRMHKPPLRYG 0.08
13 GMRMHKMPLRFG 0.09
14 NMRMPKPPLRHG 0.09
15 NMRMPKPPLRFG 0.09
16 GMRMHKMPLRHG 0.09
17 NMRMPKPPLRYG 0.1
18 NMRMFKPPLRFG 0.1
19 NMRMFKPPLRHG 0.1
20 GMRMPKPPLRHG 0.11
21 GMRMHKMPLRYG 0.11
22 NMRMHKPPNRHG 0.11
23 GMRMPKPPLRFG 0.11
24 NMRMFKPPLRYG 0.11
25 NMRMHKPPNRFG 0.11
26 GMRMFKPPLRFG 0.12
27 GMRMFKPPLRHG 0.12
28 NMRMHKPPNRYG 0.12
29 GMRMPKPPLRYG 0.12
30 GMRMFKPPLRYG 0.13
31 NKRMHKPPLRFG 0.13
32 NKRMHKPPLRHG 0.13
33 CMRMHKMPLRHG 0.14
34 GMRMHKPPNRFG 0.14
35 GMRMHKPPNRHG 0.14
36 NKRMHKPPLRYG 0.14
37 CMRMHKMPLRFG 0.14
38 GMRMHKPPNRYG 0.15
39 CMRMHKMPLRYG 0.15
40 NMRMHKPPRRFG 0.15
41 NMRMHKPPRRHG 0.15
42 CMRMPKPPLRHG 0.16
43 GKRMHKPPLRFG 0.16
44 CMRMPKPPLRFG 0.16
45 NMRMHKPPRRYG 0.16
46 GKRMHKPPLRHG 0.16
47 NMRMPKMPLRHG 0.16
48 NMRMPKMPLRFG 0.16
49 NMMMHKPPLRFG 0.17
50 CMRMFKPPLRFG 0.17
51 NMRMPKMPLRYG 0.17
52 NMRMFKMPLRHG 0.17
53 NMRMHKPILRFG 0.17
54 NMMMHKPPLRHG 0.17
55 GMRMHKPPRRHG 0.17
56 CMRMFKPPLRHG 0.17
57 NMRMHKPILRHG 0.17
58 CMRMPKPPLRYG 0.17
59 GKRMHKPPLRYG 0.17
60 GMRMHKPPRRFG 0.17
61 NMRMFKMPLRFG 0.17
62 NMRMHKPILRYG 0.18
63 NMRMHKMPNRHG 0.18
64 CMRMHKPPNRFG 0.18
65 NMMMHKPPLRYG 0.18
66 GMRMPKMPLRHG 0.18
67 NMRMFKMPLRYG 0.18
68 CMRMHKPPNRHG 0.18
69 GMRMHKPPRRYG 0.18
70 GMRMPKMPLRFG 0.18
71 NMRMHKMPNRFG 0.18
72 CMRMFKPPLRYG 0.18
73 CMRMHKPPNRYG 0.19
74 GMRMHKPILRFG 0.19
75 GMRMFKMPLRFG 0.19
76 GMMMHKPPLRHG 0.19
77 GMRMHKPILRHG 0.19
78 GMRMFKMPLRHG 0.19
79 NMRMHKMPNRYG 0.19
80 GMMMHKPPLRFG 0.19
81 CKRMHKPPLRHG 0.2
82 NMRMPKPPNRFG 0.2
83 NKRMHKMPLRFG 0.2
84 NKRMHKMPLRHG 0.2
85 GMMMHKPPLRYG 0.2
86 NMRMPKPPNRHG 0.2
87 CKRMHKPPLRFG 0.2
88 GMRMPKMPLRYG 0.2
89 CMRMHKPPRRHG 0.21
90 GMRMHKMPNRHG 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GMRMHKPPLRFG

9.84

-12.99

-3.15
2 GMRMFKPPLRHG

10.36

-13.3

-2.94
3 GMRMPKPPLRFG

10.26

-13.1

-2.84
4 GMRMHKPPLRYG

10.1

-12.36

-2.26
5 GMRMFKPPLRFG

10.58

-12.71

-2.13
6 GMRMPKPPLRHG

10.57

-12.33

-1.76
7 GMRMPKPPLRYG

10.85

-12.29

-1.44
8 CMRMHKPPLRFG

9.1

-10.11

-1.01
9 NMRMHKPPNRHG

10.07

-10.94

-0.87
10 NMRMHKPPLRHG

10.79

-11.64

-0.85
11 CMRMHKPPLRHG

10.11

-10.96

-0.85
12 GMRMHKMPLRHG

10.73

-11.0

-0.27
13 NMRMHKPPNRFG

9.01

-9.11

-0.1
14 NMRMPKPPLRYG

10.21

-10.09

0.12
15 NMRMHKPPLRYG

9.57

-9.4

0.17
16 NMRMFKPPLRFG

9.01

-8.82

0.19
17 GMRMHKPPLRHG

11.25

-10.89

0.36
18 GMRMFKPPLRYG

10.49

-10.11

0.38
19 NMRMPKPPLRHG

10.05

-9.59

0.46
20 GMRMHKMPLRFG

11.25

-10.72

0.53
21 NMRMFKPPLRYG

10.99

-10.45

0.54
22 GMRMHKMPLRYG

10.77

-10.04

0.73
23 NMRMFKPPLRHG

10.11

-9.3

0.81
24 NMRMPKPPLRFG

10.13

-9.16

0.97
25 CMRMHKPPLRYG

10.0

-9.0

1.0
26 NMRMHKPPLRFG

10.16

-9.14

1.02
27 NMRMHKPPNRYG

9.76

-8.37

1.39
28 NMRMHKMPLRFG

10.8

-9.33

1.47
29 NMRMHKMPLRYG

11.36

-9.2

2.16
30 NMRMHKMPLRHG

11.27

-8.02

3.25

 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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