Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 3.517 ΔGbinding -2.448
TOTAL
 1.069
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.791
Van der Waals -3.119 Backbone clash 0.123
Electrostatics 0.356 Helix dipole 0.000
Solvation Polar 2.842 Water bridges -0.097
Solvation Hyd -4.547 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.347
Entropy sc 0.535 Part.cov.bonds 0.000
Entropy mc

1.690

 ΔGstability

8.748
       

Predicted ligand sequences for model [PEX13_1N5Z-13.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).
 
  PEX13_1N5Z-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRQPRR 0.0
2 RPRRQRRR 0.02
3 RPRRMPRR 0.05
4 RPKRQPRR 0.07
5 RPRRMRRR 0.07
6 RPPRQPRR 0.07
7 RPKRQRRR 0.09
8 RPPRQRRR 0.09
9 RPPRMPRR 0.12
10 RPKRMPRR 0.12
11 RPPRMRRR 0.14
12 RPKRMRRR 0.14
13 RPFRQPRR 0.19
14 RPFRQRRR 0.21
15 RPFRMPRR 0.24
16 RPRRPPRR 0.25
17 RPFRMRRR 0.26
18 RPRRPRRR 0.27
19 RPKRPPRR 0.32
20 RPPRPPRR 0.32
21 RPPRPRRR 0.34
22 RPRRQFRR 0.34
23 RPKRPRRR 0.34
24 RPRRMFRR 0.39
25 RPKRQFRR 0.41
26 RPPRQFRR 0.41
27 RPRRQVRR 0.42
28 RPFRPPRR 0.44
29 RPPRMFRR 0.46
30 RPFRPRRR 0.46
31 RPKRMFRR 0.46
32 RPRRMVRR 0.46
33 RLRRQPRR 0.49
34 RPPRQVRR 0.49
35 RPKRQVRR 0.49
36 RLRRQRRR 0.51
37 RLRRMPRR 0.53
38 RPFRQFRR 0.53
39 RPPRMVRR 0.54
40 RPKRMVRR 0.54
41 RLRRMRRR 0.55
42 RLKRQPRR 0.56
43 RLPRQPRR 0.56
44 RLKRQRRR 0.58
45 RLPRQRRR 0.58
46 RPFRMFRR 0.58
47 RPRRPFRR 0.59
48 RLKRMPRR 0.6
49 RLPRMPRR 0.6
50 RPFRQVRR 0.61
51 RLKRMRRR 0.62
52 RLPRMRRR 0.62
53 RPPRPFRR 0.66
54 RPFRMVRR 0.66
55 RPKRPFRR 0.66
56 RPRRPVRR 0.67
57 RLFRQPRR 0.68
58 RLFRQRRR 0.7
59 RLFRMPRR 0.73
60 RLRRPPRR 0.73
61 RPKRPVRR 0.74
62 RLFRMRRR 0.74
63 RPPRPVRR 0.74
64 RLRRPRRR 0.75
65 RPFRPFRR 0.78
66 RLPRPPRR 0.8
67 RLKRPPRR 0.8
68 RLPRPRRR 0.82
69 RLKRPRRR 0.82
70 RLRRQFRR 0.83
71 RPFRPVRR 0.86
72 RLRRMFRR 0.87
73 RLKRQFRR 0.9
74 RLPRQFRR 0.9
75 RLRRQVRR 0.91
76 RLFRPPRR 0.93
77 RLKRMFRR 0.94
78 RLPRMFRR 0.94
79 RLRRMVRR 0.95
80 RLFRPRRR 0.95
81 RLKRQVRR 0.98
82 RLPRQVRR 0.98
83 RLFRQFRR 1.02
84 RLKRMVRR 1.02
85 RLPRMVRR 1.02
86 RLRRPFRR 1.07
87 RLFRMFRR 1.07
88 RLFRQVRR 1.1
89 RLFRMVRR 1.14
90 RLRRPVRR 1.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPKRPPRR

2.2

-17.03

-14.83
2 RPPRPRRR

2.2

-16.27

-14.07
3 RPFRPPRR

2.34

-16.29

-13.95
4 RPRRPPRR

2.39

-16.32

-13.93
5 RPPRMPRR

2.55

-16.44

-13.89
6 RPRRMRRR

2.48

-16.36

-13.88
7 RPKRMPRR

2.36

-16.23

-13.87
8 RPKRPRRR

2.22

-15.9

-13.68
9 RPRRPRRR

2.5

-16.02

-13.52
10 RPPRPPRR

2.05

-15.56

-13.51
11 RPPRQPRR

2.35

-15.7

-13.35
12 RPFRMRRR

3.02

-16.36

-13.34
13 RPKRMRRR

2.52

-15.76

-13.24
14 RPFRMPRR

2.37

-15.5

-13.13
15 RPFRPRRR

2.64

-15.62

-12.98
16 RPPRQRRR

2.67

-15.08

-12.41
17 RPPRMFRR

2.47

-14.77

-12.3
18 RPPRMRRR

2.63

-14.89

-12.26
19 RPRRMPRR

2.79

-14.92

-12.13
20 RPRRQVRR

2.18

-13.7

-11.52
21 RPRRQFRR

2.55

-14.01

-11.46
22 RPRRMFRR

2.61

-14.04

-11.43
23 RPFRQRRR

2.43

-13.8

-11.37
24 RPPRQFRR

2.55

-13.7

-11.15
25 RPKRQRRR

2.66

-13.44

-10.78
26 RPRRQRRR

2.29

-12.96

-10.67
27 RPRRQPRR

2.46

-12.97

-10.51
28 RPKRQFRR

2.48

-12.94

-10.46
29 RPKRQPRR

2.58

-12.45

-9.87
30 RPFRQPRR

2.49

-12.26

-9.77

 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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