Predicted ligand sequences


ADAN-name: 1P3Q2.PDB (view again the scoring matrix)

PDB name: [1P3Q.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT C I A A A S R I G P C V D A L L S L S E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
 A
A
A
A
A
 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 1.883 ΔGbinding -9.188
TOTAL
 -7.305
Backbone Hb -0.850 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.999
Van der Waals -3.913 Backbone clash 0.334
Electrostatics -2.203 Helix dipole -0.009
Solvation Polar 3.426 Water bridges -0.006
Solvation Hyd -6.616 Disulfide 0.000
VdW clashes 0.087 Electrost. Kon -1.258
Entropy sc 1.538 Part.cov.bonds 0.000
Entropy mc

1.143

 ΔGstability

6.470
       

Predicted ligand sequences for template [1P3Q2.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).
 
  1P3Q2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FEMFNIWWFSHFDDFLDIRD 0.0
2 FEMFNIWWFSHFDDFLDERD 0.0
3 FEMFNIWWFSHFDDFLDDRD 0.0
4 FEMFNIWWFSHFDDFLDIRF 0.01
5 FEMFCIWWFSHFDDFLDERD 0.01
6 FEMFCIWWFSHFDDFLDDRD 0.01
7 FEMFCIWWFSHFDDFLDIRD 0.01
8 FEMFNIWWFSHFDDFLDDRF 0.01
9 FEMFNIWWFSHFDEFLDERD 0.01
10 FEMFCIWWFSHFDDFLDERF 0.01
11 FEMFNIWWFSHFDDFLDERF 0.01
12 FEMFSIWWFSHFDDFLDERD 0.02
13 FEMFSIWWFSHFDDFLDIRD 0.02
14 FEMFNIWWFSHFDEFLDDRD 0.02
15 FEMFNIWWFSHFDDFLEDRD 0.02
16 FEMFNIWWFSHFDDFLDIRQ 0.02
17 FEMFNIWWFSHFDDFLEERD 0.02
18 FEMFNIWWFSHFDDFLEIRD 0.02
19 FEMFCIWWFSHFDDFLDDRF 0.02
20 FEMFCIWWFSHFDDFLDIRF 0.02
21 FEMFNPWWFSHFDDFLDERD 0.02
22 FEMFNPWWFSHFDDFLDIRD 0.02
23 FEMFCIWWFSHFDEFLDERD 0.02
24 FEMFNPWWFSHFDDFLDDRD 0.02
25 FEMFNIWWFSHFDEFLDERF 0.02
26 FEMFNIWWFSHFDEFLDIRD 0.02
27 FEMFNIWWFSHFDEFLDIRF 0.02
28 FEMFCIWWFSHFDEFLDIRD 0.02
29 FEMFNIWWFSHFDDFLDDRQ 0.02
30 FEMFNIWWFSHFDDFLDERQ 0.02
31 FEMFSIWWFSHFDDFLDERF 0.03
32 FEMFCPWWFSHFDDFLDIRF 0.03
33 FEMFCPWWFSHFDDFLDIRD 0.03
34 FEMFSIWWFSHFDDFLDIRF 0.03
35 FEMFNIWWFSHFDWFLDIRD 0.03
36 FEMFNIWWFSHFDEFLDDRF 0.03
37 FEMFNIWWFSHFDDFLEDRF 0.03
38 FEMFCIWWFSHFDEFLDDRF 0.03
39 FEMFCIWWFSHFDDFLEDRD 0.03
40 FEMFCPWWFSHFDDFLDERF 0.03
41 FEMFCPWWFSHFDDFLDERD 0.03
42 FEMFNIWWFSHFDDFLEERF 0.03
43 FEMFCIWWFSHFDDFLEIRD 0.03
44 FEMFCIWWFSHFDDFLEERD 0.03
45 FEMFCIWWFSHFDDFLEERF 0.03
46 FEMFCIWWFSHFDDFLDERQ 0.03
47 FEMFCIWWFSHFDEFLDDRD 0.03
48 FEMFNIWWFSHFDDFLEIRF 0.03
49 FEMFCIWWFSHFDDFLDDRQ 0.03
50 FEMFCIWWFSHFDDFLDIRQ 0.03
51 FEMFNIWWFSHFDEFLEERD 0.03
52 FEMFNPWWFSHFDDFLDERF 0.03
53 FEMFNPWWFSHFDDFLDIRF 0.03
54 FEMFNIWWFSHFDEFLEIRD 0.03
55 FEMFNPWWFSHFDEFLDERD 0.03
56 FEMFSIWWFSHFDDFLDDRF 0.03
57 FEMFCIWWFSHFDEFLDERF 0.03
58 FEMFNPWWFSHFDDFLDDRF 0.03
59 FEMFSIWWFSHFDDFLDDRD 0.03
60 FEMFNPWWFSHFDEFLDIRD 0.03
61 FEMFCIWWFSHFDEFLDIRF 0.03
62 FEMFCPWWFSHFDDFLDDRD 0.03
63 FEMFNIWWFSHFDWFLDERD 0.03
64 FEMFCIWWFSHFDDFLEIRF 0.03
65 FEMFSIWWFSHFDDFLDERQ 0.04
66 FEMFNIWWFSHFDWFLDIRF 0.04
67 FEMFNIWWFSHFDEFLDDRQ 0.04
68 FEMFNIWWFSHFDDFLEDRQ 0.04
69 FEMFCIWWFSHFDDFLEDRF 0.04
70 FEMFSIWWFSHFDDFLDIRQ 0.04
71 FEMFNIWWFSHFDDFLEERQ 0.04
72 FEMFNIWWFSHFDEFLDIRQ 0.04
73 FEMFSIWWFSHFDDFLEERD 0.04
74 FEMFNIWWFSHFDEFLEIRF 0.04
75 FEMFSIWWFSHFDEFLDDRD 0.04
76 FEMFNPWWFSHFDEFLDDRD 0.04
77 FEMFNPWWFSHFDEFLDDRF 0.04
78 FEMFNIWWFSHFDDFLEIRQ 0.04
79 FEMFCIWWFSHFDWFLDIRD 0.04
80 FEMFNIWWFSHFDEFLEERF 0.04
81 FEMFNPWWFSHFDDFLDERQ 0.04
82 FEMFNPWWFSHFDDFLEERF 0.04
83 FEMFNPWWFSHFDDFLEERD 0.04
84 FEMFCPWWFSHFDEFLDERD 0.04
85 FEMFNPWWFSHFDDFLDIRQ 0.04
86 FEMFNPWWFSHFDDFLEIRF 0.04
87 FEMFNPWWFSHFDDFLEIRD 0.04
88 FEMFSPWWFSHFDDFLDERD 0.04
89 FEMFCIWWFSHFDWFLDERD 0.04
90 FEMFSIWWFSHFDEFLDIRD 0.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FEMFSIWWFSHFDDFLDERD

2.55

-16.13

-13.58
2 FEMFNIWWFSHFDDFLDDRQ

1.66

-14.65

-12.99
3 FEMFNIWWFSHFDDFLDERD

3.17

-15.67

-12.5
4 FEMFNIWWFSHFDDFLDDRF

1.68

-14.14

-12.46
5 FEMFNIWWFSHFDDFLDERF

2.43

-14.7

-12.27
6 FEMFCIWWFSHFDDFLDDRD

1.65

-13.78

-12.13
7 FEMFNIWWFSHFDDFLDERQ

2.47

-14.51

-12.04
8 FEMFNIWWFSHFDDFLDIRD

1.84

-13.86

-12.02
9 FEMFNPWWFSHFDDFLDERD

1.67

-13.56

-11.89
10 FEMFNIWWFSHFDDFLEDRD

1.5

-13.12

-11.62
11 FEMFNIWWFSHFDDFLEIRD

2.65

-14.15

-11.5
12 FEMFNIWWFSHFDDFLDDRD

2.52

-13.96

-11.44
13 FEMFCIWWFSHFDEFLDERD

2.27

-13.71

-11.44
14 FEMFCIWWFSHFDDFLDERD

3.09

-14.5

-11.41
15 FEMFNIWWFSHFDEFLDIRD

2.51

-13.85

-11.34
16 FEMFNIWWFSHFDEFLDERF

1.92

-13.21

-11.29
17 FEMFNIWWFSHFDEFLDIRF

2.5

-13.37

-10.87
18 FEMFCIWWFSHFDEFLDIRD

2.41

-13.24

-10.83
19 FEMFNIWWFSHFDDFLEERD

2.99

-13.8

-10.81
20 FEMFNIWWFSHFDDFLDIRF

4.48

-14.52

-10.04
21 FEMFSIWWFSHFDDFLDIRD

4.62

-14.61

-9.99
22 FEMFNIWWFSHFDDFLDIRQ

2.9

-12.66

-9.76
23 FEMFNIWWFSHFDEFLDERD

2.47

-12.22

-9.75
24 FEMFCIWWFSHFDDFLDIRF

2.46

-11.58

-9.12
25 FEMFNPWWFSHFDDFLDDRD

3.99

-12.89

-8.9
26 FEMFCIWWFSHFDDFLDIRD

4.99

-13.08

-8.09
27 FEMFNIWWFSHFDEFLDDRD

4.13

-11.79

-7.66
28 FEMFCIWWFSHFDDFLDERF

4.44

-11.66

-7.22
29 FEMFCIWWFSHFDDFLDDRF

4.34

-10.32

-5.98
30 FEMFNPWWFSHFDDFLDIRD

1.27

-1.21

0.06

 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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