Predicted ligand sequences (modelled structure)


ADAN-name: PEX13_1N5Z-25.PDB (view again the scoring matrix)

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

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 2.678 ΔGbinding 5.276
TOTAL
 7.954
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.633
Van der Waals -4.679 Backbone clash 0.307
Electrostatics 0.405 Helix dipole 0.000
Solvation Polar 5.989 Water bridges -0.156
Solvation Hyd -5.944 Disulfide 0.000
VdW clashes 6.260 Electrost. Kon 0.256
Entropy sc 1.415 Part.cov.bonds 0.000
Entropy mc

3.647

 ΔGstability

11.185
       

Predicted ligand sequences for model [PEX13_1N5Z-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPPRPRRP 0.0
2 RRPPRPPRP 0.11
3 RRPPRPHRP 0.13
4 RRPPMPRRP 0.15
5 RRPPRPRKP 0.17
6 KRPPRPRRP 0.2
7 HRPPRPRRP 0.25
8 RRPPMPPRP 0.25
9 RRPPMPHRP 0.28
10 RRPPRPPKP 0.28
11 RRPPRPHKP 0.3
12 KRPPRPPRP 0.3
13 RRPPMPRKP 0.32
14 KRPPRPHRP 0.33
15 KRPPMPRRP 0.34
16 HRPPRPPRP 0.35
17 KRPPRPRKP 0.36
18 RRPKRPRRP 0.36
19 HRPPRPHRP 0.38
20 HRPPMPRRP 0.39
21 HRPPRPRKP 0.41
22 RRPPMPPKP 0.42
23 RRPWRPRRP 0.43
24 KRPPMPPRP 0.45
25 RRPPMPHKP 0.45
26 RRPKRPPRP 0.46
27 KRPPMPHRP 0.47
28 KRPPRPPKP 0.47
29 RRPKRPHRP 0.49
30 KRPPRPHKP 0.49
31 HRPPMPPRP 0.5
32 KRPPMPRKP 0.51
33 RRPKMPRRP 0.51
34 HRPPMPHRP 0.52
35 HRPPRPPKP 0.52
36 RRPKRPRKP 0.53
37 RRPWRPPRP 0.54
38 HRPPRPHKP 0.54
39 KRPKRPRRP 0.55
40 RRPWRPHRP 0.56
41 HRPPMPRKP 0.56
42 RRPWMPRRP 0.58
43 RRPWRPRKP 0.6
44 HRPKRPRRP 0.6
45 RRPKMPPRP 0.61
46 KRPPMPPKP 0.62
47 KRPWRPRRP 0.63
48 RRPKRPPKP 0.63
49 KRPPMPHKP 0.64
50 RRPKMPHRP 0.64
51 RRPKRPHKP 0.66
52 KRPKRPPRP 0.66
53 RRPKMPRKP 0.67
54 HRPPMPPKP 0.67
55 HRPWRPRRP 0.68
56 KRPKRPHRP 0.68
57 RRPWMPPRP 0.69
58 HRPPMPHKP 0.69
59 KRPKMPRRP 0.7
60 HRPKRPPRP 0.71
61 RRPWMPHRP 0.71
62 RRPWRPPKP 0.71
63 KRPKRPRKP 0.72
64 KRPWRPPRP 0.73
65 HRPKRPHRP 0.73
66 RRPWRPHKP 0.73
67 RRPWMPRKP 0.75
68 HRPKMPRRP 0.75
69 KRPWRPHRP 0.76
70 HRPKRPRKP 0.77
71 KRPWMPRRP 0.77
72 RRPKMPPKP 0.78
73 HRPWRPPRP 0.78
74 KRPWRPRKP 0.8
75 RRPKMPHKP 0.8
76 KRPKMPPRP 0.81
77 HRPWRPHRP 0.81
78 HRPWMPRRP 0.82
79 KRPKMPHRP 0.83
80 KRPKRPPKP 0.83
81 HRPWRPRKP 0.85
82 RRPWMPPKP 0.85
83 KRPKRPHKP 0.85
84 HRPKMPPRP 0.86
85 KRPKMPRKP 0.87
86 KRPWMPPRP 0.88
87 HRPKMPHRP 0.88
88 RRPWMPHKP 0.88
89 HRPKRPPKP 0.88
90 HRPKRPHKP 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPPMPRRP

2.22

-13.35

-11.13
2 KRPPMPRRP

2.74

-11.88

-9.14
3 KRPPMPPRP

1.68

-10.8

-9.12
4 RRPKRPHRP

2.24

-11.3

-9.06
5 HRPPMPRRP

1.57

-10.48

-8.91
6 RRPPRPPKP

1.82

-10.2

-8.38
7 HRPPRPHRP

1.46

-9.83

-8.37
8 KRPPMPHRP

1.72

-10.07

-8.35
9 RRPPMPPRP

2.78

-10.92

-8.14
10 KRPPRPPKP

2.7

-10.79

-8.09
11 RRPKRPRRP

2.19

-10.24

-8.05
12 KRPPRPPRP

1.87

-9.74

-7.87
13 HRPPRPPRP

1.45

-8.9

-7.45
14 RRPPMPHRP

2.8

-10.12

-7.32
15 KRPPRPRRP

1.46

-8.74

-7.28
16 RRPPRPHRP

1.46

-8.69

-7.23
17 KRPPRPHRP

2.82

-10.01

-7.19
18 RRPPRPRKP

1.78

-8.96

-7.18
19 RRPPMPPKP

1.6

-8.78

-7.18
20 RRPPMPRKP

2.01

-8.97

-6.96
21 RRPPRPRRP

2.23

-9.18

-6.95
22 KRPPRPHKP

1.98

-8.87

-6.89
23 KRPPRPRKP

1.77

-8.61

-6.84
24 RRPPMPHKP

1.66

-8.49

-6.83
25 RRPPRPHKP

1.85

-8.38

-6.53
26 RRPPRPPRP

2.65

-9.07

-6.42
27 HRPPRPRRP

2.5

-8.86

-6.36
28 HRPPRPRKP

2.66

-8.81

-6.15
29 RRPKRPPRP

3.25

-9.28

-6.03
30 RRPWRPRRP

2.25

-7.67

-5.42

 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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