Predicted ligand sequences


ADAN-name: 2D0N2.PDB (view again the scoring matrix)

PDB name: [2D0N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P S I D R S T K P
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 1.716 ΔGbinding -12.180
TOTAL
 -10.464
Backbone Hb -0.500 Cis_bond 0.000
Sidechain Hb -5.550 Torsional clash 0.080
Van der Waals -8.460 Backbone clash 0.930
Electrostatics -3.690 Helix dipole 0.000
Solvation Polar 11.440 Water bridges -0.580
Solvation Hyd -10.600 Disulfide 0.000
VdW clashes 0.280 Electrost. Kon -1.840
Entropy sc 6.110 Part.cov.bonds 0.000
Entropy mc

1.140

 ΔGstability

4.920
       

Predicted ligand sequences for template [2D0N2.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).
 
  2D0N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MGRPRHVRR 0.0
2 MGRPRHLRR 0.01
3 MGRHRHVRR 0.04
4 MGRYRHVRR 0.05
5 MGRHRHLRR 0.05
6 MGRYRHLRR 0.06
7 MGRPRRVRR 0.1
8 MGRPRTVRR 0.1
9 MGRPRRLRR 0.11
10 MGRPRTLRR 0.11
11 MGRHRRVRR 0.14
12 MGRHRTVRR 0.14
13 MGRHRTLRR 0.15
14 MGRYRTVRR 0.15
15 MGRYRRVRR 0.15
16 MGRHRRLRR 0.15
17 MGRYRRLRR 0.16
18 PGRPRHVRR 0.16
19 MGRYRTLRR 0.16
20 PGRPRHLRR 0.17
21 PGRHRHVRR 0.2
22 PGRHRHLRR 0.21
23 PGRYRHVRR 0.21
24 PGRYRHLRR 0.23
25 MMRPRHVRR 0.25
26 MGRPRHKRR 0.26
27 MMRPRHLRR 0.26
28 PGRPRRVRR 0.26
29 PGRPRTVRR 0.26
30 MERPRHVRR 0.26
31 PGRPRRLRR 0.27
32 MERPRHLRR 0.27
33 PGRPRTLRR 0.27
34 MMRHRHVRR 0.29
35 PGRHRRVRR 0.3
36 MMRHRHLRR 0.3
37 MMRYRHVRR 0.3
38 MERHRHVRR 0.3
39 MGRHRHKRR 0.3
40 PGRHRTVRR 0.3
41 PGRHRRLRR 0.31
42 MERHRHLRR 0.31
43 MMRYRHLRR 0.31
44 MERYRHVRR 0.31
45 PGRHRTLRR 0.31
46 MGRYRHKRR 0.31
47 PGRYRTVRR 0.31
48 IGRPRHVRR 0.31
49 PGRYRRVRR 0.31
50 MERYRHLRR 0.32
51 PGRYRTLRR 0.33
52 PGRYRRLRR 0.33
53 IGRPRHLRR 0.33
54 IGRHRHVRR 0.35
55 MMRPRRVRR 0.35
56 MMRPRTVRR 0.35
57 MGRPRRKRR 0.36
58 MERPRRVRR 0.36
59 MMRPRTLRR 0.36
60 MGRPRTKRR 0.36
61 IGRYRHVRR 0.36
62 MERPRTVRR 0.36
63 MMRPRRLRR 0.36
64 IGRHRHLRR 0.36
65 MERPRRLRR 0.37
66 MERPRTLRR 0.37
67 IGRYRHLRR 0.38
68 MMRHRRVRR 0.39
69 MMRHRTVRR 0.39
70 MMRHRRLRR 0.4
71 MMRYRTVRR 0.4
72 MGRHRRKRR 0.4
73 MGRHRTKRR 0.4
74 MERHRTVRR 0.4
75 MMRHRTLRR 0.4
76 MERHRRVRR 0.4
77 MMRYRRVRR 0.4
78 MERYRRVRR 0.41
79 IGRPRTVRR 0.41
80 MMRYRTLRR 0.41
81 MGRYRTKRR 0.41
82 MERYRTVRR 0.41
83 MERHRRLRR 0.41
84 PMRPRHVRR 0.41
85 MERHRTLRR 0.41
86 IGRPRRVRR 0.41
87 MGRYRRKRR 0.41
88 MMRYRRLRR 0.41
89 MERYRTLRR 0.42
90 MERYRRLRR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MGRPRHLRR

2.14

-18.6

-16.46
2 PGRYRHVRR

2.75

-18.39

-15.64
3 MGRHRHVRR

2.62

-18.22

-15.6
4 MGRYRHLRR

2.26

-17.79

-15.53
5 MGRYRRLRR

2.67

-17.99

-15.32
6 MGRPRTVRR

2.89

-17.21

-14.32
7 MGRPRRLRR

2.21

-16.05

-13.84
8 MGRHRHLRR

2.0

-15.84

-13.84
9 MGRYRHVRR

3.25

-17.03

-13.78
10 MMRPRHVRR

4.99

-18.74

-13.75
11 MGRHRTLRR

3.66

-17.2

-13.54
12 MGRYRTLRR

3.43

-16.88

-13.45
13 PGRPRHLRR

2.92

-16.21

-13.29
14 MGRHRRVRR

2.89

-15.92

-13.03
15 PGRPRRVRR

3.22

-15.99

-12.77
16 MGRYRRVRR

3.14

-15.86

-12.72
17 MMRPRHLRR

3.79

-16.1

-12.31
18 MGRHRRLRR

4.06

-16.12

-12.06
19 MGRPRTLRR

3.7

-15.72

-12.02
20 PGRPRTVRR

2.01

-13.73

-11.72
21 PGRPRHVRR

4.42

-15.99

-11.57
22 MGRHRTVRR

2.8

-14.14

-11.34
23 PGRYRHLRR

3.07

-14.22

-11.15
24 MGRPRRVRR

4.23

-15.32

-11.09
25 MGRPRHVRR

1.73

-12.52

-10.79
26 MGRPRHKRR

4.38

-15.1

-10.72
27 MERPRHVRR

3.45

-13.99

-10.54
28 MGRYRTVRR

3.59

-13.94

-10.35
29 PGRHRHLRR

2.95

-13.24

-10.29
30 PGRHRHVRR

2.62

-12.4

-9.78

 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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