Predicted ligand sequences


ADAN-name: 2P4R2.PDB (view again the scoring matrix)

PDB name: [2P4R.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R P P R P S R P P P P T P
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala A
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 1.179 ΔGbinding -18.510
TOTAL
 -17.331
Backbone Hb -1.370 Cis_bond 0.000
Sidechain Hb -5.220 Torsional clash 0.020
Van der Waals -11.840 Backbone clash 0.510
Electrostatics -3.540 Helix dipole 0.000
Solvation Polar 13.050 Water bridges -0.660
Solvation Hyd -15.270 Disulfide 0.000
VdW clashes 0.170 Electrost. Kon -1.860
Entropy sc 6.890 Part.cov.bonds 0.000
Entropy mc

1.130

 ΔGstability

-12.050
       

Predicted ligand sequences for template [2P4R2.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).
 
  2P4R2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYKRPRRHPMDIP 0.0
2 RYKRPRRHPMGIP 0.02
3 RYKRPRRHPMEIP 0.02
4 RYKRPRRFPMDIP 0.06
5 RYKRPRRFPMGIP 0.08
6 RYKRPRRFPMEIP 0.08
7 RYKRPRRIPMDIP 0.08
8 RYKRPRRIPMGIP 0.1
9 RYKRPRRIPMEIP 0.1
10 RYRRPRRHPMDIP 0.11
11 RYKRPRRHPPDIP 0.11
12 RYKRPRRHPPEIP 0.13
13 RYKRPRRHPPGIP 0.13
14 RYKMPRRHPMDIP 0.13
15 RYRRPRRHPMGIP 0.14
16 RYRRPRRHPMEIP 0.14
17 RYKMPRRHPMEIP 0.15
18 RYKRPRRHHMDIP 0.15
19 RYKMPRRHPMGIP 0.15
20 RYKRPHRHPMDIP 0.15
21 RYKRPRRFPPDIP 0.16
22 RYKRPHRHPMGIP 0.17
23 RYKRPRRHHMEIP 0.17
24 RYKRPHRHPMEIP 0.17
25 RYKRPRRHHMGIP 0.17
26 RYRRPRRFPMDIP 0.17
27 RYKRPRRHPMDMP 0.17
28 RYKRRRRHPMDIP 0.17
29 RYKRPRRIPPDIP 0.18
30 RYKRRRRHPMGIP 0.19
31 RYKRPRRFPPEIP 0.19
32 RYKRPRRHPMEMP 0.19
33 RYKRRRRHPMEIP 0.19
34 RYKRPRRFPPGIP 0.19
35 RYKRPRRHPMGMP 0.19
36 RYRRPRRIPMDIP 0.19
37 RYKMPRRFPMDIP 0.19
38 RYRRPRRFPMGIP 0.19
39 RYKRPRRIPPGIP 0.2
40 NYKRPRRHPMDIP 0.2
41 RYRRPRRFPMEIP 0.2
42 RYKRPRRHPFDIP 0.2
43 RYKRPRRIPPEIP 0.2
44 RYKRPRRHPMDPP 0.2
45 RYRRPRRIPMEIP 0.21
46 RYKMPRRIPMDIP 0.21
47 RYKMPRRFPMEIP 0.21
48 RYKRPHRFPMDIP 0.21
49 RYRRPRRIPMGIP 0.21
50 RYKRPRRFHMDIP 0.21
51 RYKMPRRFPMGIP 0.21
52 RYKRPRRHPMEPP 0.22
53 RYRRPRRHPPDIP 0.22
54 RYKRPRRHPMGPP 0.22
55 NYKRPRRHPMGIP 0.22
56 RYKRPRRFPMDMP 0.23
57 RYKRPRRHPFEIP 0.23
58 RYKRPHRIPMDIP 0.23
59 RYKRPRRFHMEIP 0.23
60 RYKMPRRIPMGIP 0.23
61 RYKRPHRFPMGIP 0.23
62 NYKRPRRHPMEIP 0.23
63 RYKMPRRHPPDIP 0.23
64 RYKRPRRHPFGIP 0.23
65 RYKRRRRFPMDIP 0.23
66 RYKMPRRIPMEIP 0.23
67 RYKRPRRFHMGIP 0.23
68 RYKRPRRIHMDIP 0.23
69 RYKRPHRFPMEIP 0.23
70 RYRRPRRHPPGIP 0.24
71 RYRRPRRHPPEIP 0.24
72 RYRMPRRHPMDIP 0.24
73 RYKRRRRFPMEIP 0.25
74 RYKRPRRFPMGMP 0.25
75 RYKRPHRIPMGIP 0.25
76 RYKRRRRFPMGIP 0.25
77 RYKRPRRIHMEIP 0.25
78 RYKRRRRIPMDIP 0.25
79 RYKRPRRIPMDMP 0.25
80 RYKRPRRFPMEMP 0.25
81 RYKMPRRHPPGIP 0.25
82 RYKRPKRHPMDIP 0.25
83 RYKRPHRIPMEIP 0.25
84 RYKRPRRIHMGIP 0.25
85 RYKRPRRFPMDPP 0.26
86 NYKRPRRFPMDIP 0.26
87 RYRRPRRHHMDIP 0.26
88 RYKRPRRHHPDIP 0.26
89 RYRMPRRHPMGIP 0.26
90 RYKRPHRHPPDIP 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RYKRPRRHPPDIP

1.48

-22.4

-20.92
2 RYKRPRRFPPDIP

1.42

-22.31

-20.89
3 RYKRPRRHPMDMP

1.56

-22.19

-20.63
4 RYKRPRRFPMEIP

1.75

-22.22

-20.47
5 RYKRPRRHPPEIP

1.68

-22.0

-20.32
6 RYRRPRRHPMGIP

2.92

-23.12

-20.2
7 RYKRPRRHPMEIP

1.89

-22.09

-20.2
8 RYKRPRRHPMGIP

1.63

-21.78

-20.15
9 RYKRPHRHPMEIP

1.64

-21.49

-19.85
10 RYKRRRRHPMGIP

1.82

-21.57

-19.75
11 RYKRPRRHPMDIP

1.57

-21.31

-19.74
12 RYRRPRRFPMDIP

1.61

-21.31

-19.7
13 RYKRPRRFPMGIP

1.72

-21.39

-19.67
14 RYKRPRRIPPDIP

2.16

-21.58

-19.42
15 RYKRPRRFPMDIP

1.79

-21.16

-19.37
16 RYKRPHRHPMDIP

1.63

-20.97

-19.34
17 RYKRPRRHPPGIP

1.46

-20.71

-19.25
18 RYKRPRRIPMEIP

1.61

-20.69

-19.08
19 RYRRPRRHPMDIP

1.8

-20.86

-19.06
20 RYKRPHRHPMGIP

1.53

-20.58

-19.05
21 RYKRPRRIPMDIP

1.56

-20.56

-19.0
22 RYRRPRRHPMEIP

2.22

-21.18

-18.96
23 RYKMPRRHPMEIP

1.83

-20.76

-18.93
24 RYKRPRRHHMDIP

2.13

-20.92

-18.79
25 RYKRPRRIPMGIP

1.78

-20.55

-18.77
26 RYKRPRRHHMGIP

2.32

-20.29

-17.97
27 RYKMPRRHPMGIP

1.42

-19.27

-17.85
28 RYKRPRRHHMEIP

1.72

-19.48

-17.76
29 RYKMPRRHPMDIP

1.93

-19.54

-17.61
30 RYKRRRRHPMDIP

1.82

-18.94

-17.12

 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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