Predicted ligand sequences


ADAN-name: 2D1X2.PDB (view again the scoring matrix)

PDB name: [2D1X.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R P P P P P P G
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
A
A
A
 A A
A
A
 G

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 1.730 ΔGbinding -11.520
TOTAL
 -9.790
Backbone Hb -2.080 Cis_bond 0.000
Sidechain Hb -2.080 Torsional clash 0.050
Van der Waals -6.140 Backbone clash 0.200
Electrostatics -0.950 Helix dipole 0.000
Solvation Polar 5.810 Water bridges -1.100
Solvation Hyd -7.620 Disulfide 0.000
VdW clashes 0.290 Electrost. Kon -0.730
Entropy sc 2.720 Part.cov.bonds 0.000
Entropy mc

0.330

 ΔGstability

-5.290
       

Predicted ligand sequences for template [2D1X2.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).
 
  2D1X2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRKHPKRR 0.0
2 RKRPHPKRR 0.01
3 RKRKMPKRR 0.01
4 RKRPMPKRR 0.02
5 RKRKHPRRR 0.03
6 RKRFHPKRR 0.03
7 RKRKMPRRR 0.04
8 RKRFMPKRR 0.04
9 RKRPHPRRR 0.04
10 RKRFHPRRR 0.06
11 RKRPMPRRR 0.06
12 RKRFMPRRR 0.07
13 RKRKHPMRR 0.08
14 RKRKHWKRR 0.08
15 RKRKMPMRR 0.09
16 RKRPHPMRR 0.09
17 RKRKMWKRR 0.09
18 RKRPHWKRR 0.1
19 RKRPMPMRR 0.1
20 RKRFHPMRR 0.11
21 RKRFHWKRR 0.11
22 RKRPMWKRR 0.11
23 RKRFMWKRR 0.12
24 RKRFMPMRR 0.12
25 RKRKHWRRR 0.12
26 RKRKMWRRR 0.13
27 RKRPHWRRR 0.13
28 RKRPMWRRR 0.14
29 RKRFHWRRR 0.14
30 RKRFMWRRR 0.15
31 RKRKHWMRR 0.16
32 RKRKMWMRR 0.17
33 RKRKHPKRH 0.18
34 KKRKHPKRR 0.18
35 RKRPHWMRR 0.18
36 RKRPMWMRR 0.19
37 RKRFHWMRR 0.19
38 RKLKHPKRR 0.19
39 KKRKMPKRR 0.19
40 RKRKMPKRH 0.19
41 RKRFMWMRR 0.2
42 KKRPHPKRR 0.2
43 RKRPHPKRH 0.2
44 RKLKMPKRR 0.2
45 RKLPHPKRR 0.2
46 RKRKHIKRR 0.2
47 KKRKHPRRR 0.21
48 RKRKMIKRR 0.21
49 RKLPMPKRR 0.21
50 KKRFHPKRR 0.21
51 KKRPMPKRR 0.21
52 RKRFHPKRH 0.21
53 RKRPMPKRH 0.21
54 RKRKHPKRM 0.22
55 RKRFMPKRH 0.22
56 RKLFHPKRR 0.22
57 KKRFMPKRR 0.22
58 RKRKHPRRH 0.22
59 KKRKMPRRR 0.22
60 RKLKHPRRR 0.22
61 RKRPHIKRR 0.22
62 RKRKMPRRH 0.23
63 RKRFHIKRR 0.23
64 RKRPHPKRM 0.23
65 RKLKMPRRR 0.23
66 KKRPHPRRR 0.23
67 RKRKHIRRR 0.23
68 RKLFMPKRR 0.23
69 RKRPHPRRH 0.23
70 RKRPMIKRR 0.23
71 RKRKMPKRM 0.23
72 RKRFHPRRH 0.24
73 RKLPHPRRR 0.24
74 RKRFMIKRR 0.24
75 RKRPMPRRH 0.24
76 RKRKMIRRR 0.24
77 RKRFHPKRM 0.24
78 KKRPMPRRR 0.24
79 RKRPMPKRM 0.24
80 KKRFHPRRR 0.24
81 RKLFHPRRR 0.25
82 KKRFMPRRR 0.25
83 RKRFMPKRM 0.25
84 RKRKQPKRR 0.25
85 RKRPHIRRR 0.25
86 RKRFMPRRH 0.25
87 RKRKHPRRM 0.25
88 RKLPMPRRR 0.25
89 RKRKMPRRM 0.26
90 KKRKHPMRR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRPHPMRR

2.51

-15.11

-12.6
2 RKRPHWRRR

2.36

-14.85

-12.49
3 RKRKMPMRR

2.37

-14.64

-12.27
4 RKRFHPRRR

2.65

-14.69

-12.04
5 RKRPMPMRR

2.67

-14.66

-11.99
6 RKRKHPMRR

2.18

-13.92

-11.74
7 RKRKMPKRR

2.22

-13.73

-11.51
8 RKRFMPRRR

2.32

-13.68

-11.36
9 RKRFHPMRR

2.03

-13.38

-11.35
10 RKRFHWRRR

2.61

-13.94

-11.33
11 RKRFMWRRR

2.54

-13.82

-11.28
12 RKRPMWKRR

3.22

-14.44

-11.22
13 RKRKHWKRR

3.15

-14.26

-11.11
14 RKRKHPRRR

2.45

-13.45

-11.0
15 RKRFMPMRR

2.46

-13.4

-10.94
16 RKRKMPRRR

2.74

-13.33

-10.59
17 RKRKHPKRR

2.21

-12.67

-10.46
18 RKRPHPKRR

2.91

-13.3

-10.39
19 RKRFMWKRR

3.26

-13.63

-10.37
20 RKRFMPKRR

3.05

-13.39

-10.34
21 RKRPMPKRR

2.51

-12.7

-10.19
22 RKRFHWKRR

2.11

-12.25

-10.14
23 RKRKMWRRR

2.28

-12.42

-10.14
24 RKRPHPRRR

2.41

-12.49

-10.08
25 RKRFHPKRR

2.02

-12.09

-10.07
26 RKRPMPRRR

2.3

-12.03

-9.73
27 RKRPMWRRR

2.55

-11.37

-8.82
28 RKRKMWKRR

2.35

-10.91

-8.56
29 RKRPHWKRR

2.96

-11.13

-8.17
30 RKRKHWRRR

3.26

-11.03

-7.77

 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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