Predicted ligand sequences


ADAN-name: 2AK53.PDB (view again the scoring matrix)

PDB name: [2AK5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R P P K P R P R
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 0.760 ΔGbinding -12.190
TOTAL
 -11.430
Backbone Hb -2.140 Cis_bond 0.000
Sidechain Hb -5.560 Torsional clash 0.010
Van der Waals -6.990 Backbone clash 0.200
Electrostatics -2.750 Helix dipole 0.000
Solvation Polar 8.310 Water bridges -0.230
Solvation Hyd -7.870 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon -1.540
Entropy sc 4.620 Part.cov.bonds 0.000
Entropy mc

1.800

 ΔGstability

-7.980
       

Predicted ligand sequences for template [2AK53.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).
 
  2AK53.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRLLGQFD 0.0
2 RRLLGQFI 0.0
3 RRLLGQFT 0.0
4 RRLLFQFD 0.03
5 RRLLFQFI 0.03
6 RRLLFQFT 0.03
7 RRLLPQFI 0.04
8 RRLLPQFD 0.04
9 RRLLPQFT 0.04
10 RRLLGQPD 0.06
11 RRLLGQPI 0.06
12 RRLLGQPT 0.06
13 RRLLGQYT 0.08
14 RRLLGQYI 0.08
15 RRLLGQYD 0.08
16 RRLLPQPI 0.1
17 RRLLPQPD 0.1
18 RRLLPQPT 0.1
19 RRLLFQPT 0.1
20 RRLLFQPD 0.1
21 RRLLFQPI 0.1
22 RRLLGKFI 0.11
23 RRLLGKFD 0.11
24 RRLLGKFT 0.11
25 RRLLPQYT 0.12
26 RRLLPQYD 0.12
27 RRLLPQYI 0.12
28 RRLMGQFT 0.12
29 RRLMGQFD 0.12
30 RRLMGQFI 0.12
31 RRLLFQYT 0.12
32 RRLLFQYI 0.12
33 RRLLFQYD 0.12
34 RRILGQFI 0.12
35 RRILGQFD 0.12
36 RRILGQFT 0.12
37 RRLLFKFI 0.14
38 RRLLFKFD 0.14
39 RRLLFKFT 0.14
40 RRLLPKFD 0.14
41 RRLLPKFI 0.14
42 RRLLPKFT 0.14
43 RRLLGRFI 0.14
44 RRLLGRFD 0.14
45 RRLLGRFT 0.14
46 RRLMFQFT 0.15
47 RRLMFQFI 0.15
48 RRLMFQFD 0.15
49 RRILFQFT 0.15
50 RRILFQFI 0.15
51 RRILFQFD 0.15
52 RRLMPQFD 0.16
53 RRLMPQFI 0.16
54 RRLMPQFT 0.16
55 RRILPQFT 0.16
56 RRILPQFD 0.16
57 RRILPQFI 0.16
58 RRLLGKPI 0.17
59 RRLLGKPD 0.17
60 RRLLGKPT 0.17
61 RRLLFRFD 0.17
62 RRLLFRFI 0.17
63 RRLLFRFT 0.17
64 RRILGQPI 0.18
65 RRILGQPD 0.18
66 RRILGQPT 0.18
67 RRLLPRFI 0.18
68 RRLLPRFD 0.18
69 RRLLPRFT 0.18
70 RRLMGQPD 0.18
71 RRLMGQPI 0.18
72 RRLMGQPT 0.18
73 RRLLGKYT 0.19
74 RRLLGKYD 0.19
75 RRLLGKYI 0.19
76 RRLLGRPI 0.2
77 RRLLGRPD 0.2
78 RRLLGRPT 0.2
79 RRLMGQYT 0.2
80 RRLMGQYD 0.2
81 RRLMGQYI 0.2
82 RRLLFKPI 0.2
83 RRLLFKPD 0.2
84 RRLLFKPT 0.2
85 RRILGQYT 0.2
86 RRILGQYD 0.2
87 RRILGQYI 0.2
88 RRLLPKPT 0.21
89 RRLLPKPD 0.21
90 RRLLPKPI 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRLLPQPT

0.92

-14.58

-13.66
2 RRLLPQFD

1.2

-14.84

-13.64
3 RRLLPQFT

1.45

-14.82

-13.37
4 RRLLPQYI

1.52

-14.82

-13.3
5 RRLLGQFT

1.21

-14.45

-13.24
6 RRLLPQPI

1.21

-14.41

-13.2
7 RRLLFQPD

1.02

-14.09

-13.07
8 RRLLPQYT

1.61

-14.64

-13.03
9 RRLLFQPI

1.19

-14.22

-13.03
10 RRLLGKFT

1.22

-14.2

-12.98
11 RRLLPQFI

1.14

-14.04

-12.9
12 RRLMGQFI

1.16

-14.0

-12.84
13 RRLLGKFD

1.24

-14.07

-12.83
14 RRLLFQFD

1.25

-14.08

-12.83
15 RRLLGQPI

0.9

-13.72

-12.82
16 RRLLGQPT

0.91

-13.67

-12.76
17 RRLLGQPD

0.9

-13.65

-12.75
18 RRLLPQPD

1.05

-13.78

-12.73
19 RRLLGKFI

1.92

-14.61

-12.69
20 RRLMGQFT

1.22

-13.86

-12.64
21 RRLLGQFD

1.21

-13.79

-12.58
22 RRLLGQYT

1.49

-14.05

-12.56
23 RRLMGQFD

1.18

-13.62

-12.44
24 RRLLFQPT

0.98

-13.38

-12.4
25 RRLLGQYI

1.4

-13.5

-12.1
26 RRLLFQFI

1.13

-13.16

-12.03
27 RRLLGQFI

1.29

-12.94

-11.65
28 RRLLFQFT

1.55

-12.81

-11.26
29 RRLLPQYD

1.47

-12.57

-11.1
30 RRLLGQYD

1.44

-12.3

-10.86

 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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