Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-7.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
G
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 4.765 ΔGbinding -3.616
TOTAL
 1.149
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.191
Van der Waals -2.650 Backbone clash 0.052
Electrostatics 0.330 Helix dipole 0.000
Solvation Polar 2.798 Water bridges -0.157
Solvation Hyd -3.813 Disulfide 0.000
VdW clashes 0.195 Electrost. Kon 0.356
Entropy sc 0.643 Part.cov.bonds 0.000
Entropy mc

1.040

 ΔGstability

9.586
       

Predicted ligand sequences for model [PEX13_1N5Z-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 FFRRFPRS 0.0
2 FFRRPPRS 0.06
3 MFRRFPRS 0.1
4 MFRRPPRS 0.15
5 FFRRFKRS 0.25
6 FFRRFRRS 0.29
7 FFRRPKRS 0.3
8 MFRRFKRS 0.34
9 FFRRPRRS 0.35
10 FKRRFPRS 0.36
11 FFRRFHRS 0.38
12 MFRRFRRS 0.39
13 FFRRFSRS 0.4
14 MFRRPKRS 0.4
15 FKRRPPRS 0.42
16 FFRRPHRS 0.44
17 MFRRPRRS 0.45
18 MKRRFPRS 0.45
19 RFRRFPRS 0.46
20 FFRRPSRS 0.46
21 MFRRFHRS 0.48
22 MFRRFSRS 0.49
23 FFHRFPRS 0.51
24 MKRRPPRS 0.51
25 RFRRPPRS 0.52
26 MFRRPHRS 0.54
27 MFRRPSRS 0.55
28 FFHRPPRS 0.57
29 FKRRFKRS 0.6
30 MFHRFPRS 0.61
31 FKRRFRRS 0.65
32 FKRRPKRS 0.66
33 MFHRPPRS 0.67
34 MKRRFKRS 0.7
35 RFRRFKRS 0.71
36 FKRRPRRS 0.71
37 FKRRFHRS 0.74
38 MKRRFRRS 0.75
39 RFRRFRRS 0.76
40 MKRRPKRS 0.76
41 FKRRFSRS 0.76
42 FFHRFKRS 0.76
43 RFRRPKRS 0.77
44 FKRRPHRS 0.8
45 FFHRFRRS 0.8
46 RFRRPRRS 0.81
47 MKRRPRRS 0.81
48 RKRRFPRS 0.82
49 FFHRPKRS 0.82
50 FKRRPSRS 0.82
51 RFRRFHRS 0.84
52 MKRRFHRS 0.84
53 MKRRFSRS 0.85
54 MFHRFKRS 0.85
55 FFHRPRRS 0.86
56 RFRRFSRS 0.86
57 FKHRFPRS 0.87
58 RKRRPPRS 0.88
59 FFHRFHRS 0.89
60 MFHRFRRS 0.9
61 RFRRPHRS 0.9
62 MKRRPHRS 0.9
63 MFHRPKRS 0.91
64 MKRRPSRS 0.91
65 FFHRFSRS 0.91
66 RFRRPSRS 0.92
67 FKHRPPRS 0.93
68 FFHRPHRS 0.95
69 MFHRPRRS 0.96
70 MKHRFPRS 0.96
71 FFHRPSRS 0.97
72 RFHRFPRS 0.97
73 MFHRFHRS 0.99
74 MFHRFSRS 1.0
75 MKHRPPRS 1.02
76 RFHRPPRS 1.03
77 MFHRPHRS 1.05
78 MFHRPSRS 1.06
79 RKRRFKRS 1.07
80 RKRRFRRS 1.11
81 FKHRFKRS 1.12
82 RKRRPKRS 1.13
83 FKHRFRRS 1.16
84 RKRRPRRS 1.17
85 FKHRPKRS 1.18
86 RKRRFHRS 1.2
87 MKHRFKRS 1.21
88 RFHRFKRS 1.22
89 RKRRFSRS 1.22
90 FKHRPRRS 1.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MFRRPSRS

2.19

-15.25

-13.06
2 FFRRPKRS

2.22

-13.74

-11.52
3 MKRRFPRS

2.78

-14.23

-11.45
4 MKRRPPRS

2.71

-13.53

-10.82
5 FFRRPHRS

2.13

-12.75

-10.62
6 MFRRPPRS

2.58

-13.05

-10.47
7 MFRRFRRS

2.77

-13.15

-10.38
8 MFRRPHRS

2.32

-12.69

-10.37
9 MFRRFHRS

2.63

-12.85

-10.22
10 MFRRPKRS

1.76

-11.67

-9.91
11 FFRRPSRS

2.16

-11.97

-9.81
12 FFRRFPRS

2.85

-12.39

-9.54
13 FFHRPPRS

2.26

-11.79

-9.53
14 FFRRFKRS

2.25

-11.68

-9.43
15 FKRRPPRS

2.69

-12.11

-9.42
16 MFRRFPRS

2.06

-11.45

-9.39
17 FKRRFKRS

3.28

-12.63

-9.35
18 FFRRPRRS

2.24

-11.19

-8.95
19 FFRRPPRS

2.75

-11.6

-8.85
20 FKRRFPRS

3.03

-11.86

-8.83
21 MFRRFSRS

2.73

-11.46

-8.73
22 RFRRPPRS

3.0

-11.69

-8.69
23 MFRRFKRS

2.72

-11.32

-8.6
24 MFHRFPRS

2.56

-11.13

-8.57
25 MFRRPRRS

2.4

-10.85

-8.45
26 FFRRFRRS

3.01

-11.4

-8.39
27 FFRRFHRS

2.71

-10.99

-8.28
28 FFHRFPRS

2.75

-10.35

-7.6
29 FFRRFSRS

2.93

-9.41

-6.48
30 RFRRFPRS

2.81

-8.72

-5.91

 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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