Predicted ligand sequences


ADAN-name: 2B9J2.PDB (view again the scoring matrix)

PDB name: [2B9J.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R G N I P K P L N L
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
G
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 7.521 ΔGbinding -17.254
TOTAL
 -9.733
Backbone Hb -5.463 Cis_bond 0.000
Sidechain Hb -7.962 Torsional clash 1.575
Van der Waals -10.259 Backbone clash 0.530
Electrostatics -5.081 Helix dipole -0.006
Solvation Polar 13.777 Water bridges -0.258
Solvation Hyd -13.485 Disulfide 0.000
VdW clashes 1.545 Electrost. Kon -2.796
Entropy sc 6.920 Part.cov.bonds 0.000
Entropy mc

4.238

 ΔGstability

-48.674
       

Predicted ligand sequences for template [2B9J2.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).
 
  2B9J2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYRRPPsFMKM 0.0
2 RYRRPPDFMKM 0.0
3 RYRRPPsFMyM 0.03
4 RYRRPPTFMKM 0.03
5 RYRRPPDFMRM 0.03
6 RYRRPPsFMRM 0.03
7 RYRRPPDFMyM 0.03
8 RYRRPPTFMRM 0.06
9 RYRRPPTFMyM 0.06
10 RYRRMPsFMKM 0.13
11 RYRRPPDWMKM 0.13
12 RYRRPPsWMKM 0.13
13 RYRRMPDFMKM 0.14
14 RYRRIPsFMKM 0.14
15 RYRRIPDFMKM 0.14
16 RYRRIPsFMRM 0.16
17 RYRRPPDWMRM 0.16
18 RYRRMPDFMRM 0.16
19 RYRRMPsFMyM 0.16
20 RYRRPPTWMKM 0.16
21 RYRRMPsFMRM 0.16
22 RYRRPPsWMRM 0.16
23 RYRRPPDWMyM 0.16
24 RYRRPPsWMyM 0.16
25 RYRRMPDFMyM 0.17
26 RYRRMPTFMKM 0.17
27 RYRRIPDFMyM 0.17
28 RYRRIPsFMyM 0.17
29 RYRRIPTFMKM 0.17
30 RYRRIPDFMRM 0.17
31 RYRRMPTFMyM 0.19
32 RYRRPPTWMyM 0.19
33 RYRRMPTFMRM 0.19
34 RYRRPPTWMRM 0.19
35 RYRRIPTFMyM 0.2
36 RYRRIPTFMRM 0.2
37 RYRRPPsyMKM 0.21
38 RYRRPPDyMKM 0.21
39 RYRRPPsyMRM 0.23
40 RYRRPPsyMyM 0.24
41 RYRRPPDyMyM 0.24
42 RYRRPPDyMRM 0.24
43 RYRRPPTyMKM 0.24
44 RYRRMPsWMKM 0.26
45 RYRRPPTyMRM 0.26
46 RYRRIPDWMKM 0.27
47 RYRRIPsWMKM 0.27
48 RYRRMPDWMKM 0.27
49 RYRRPPTyMyM 0.27
50 RYRRMPsWMyM 0.29
51 RYRRIPsWMRM 0.29
52 RYRRMPsWMRM 0.29
53 RYRRMPDWMRM 0.29
54 RYRRMPTWMKM 0.3
55 RYRRIPDWMyM 0.3
56 RYRRIPTWMKM 0.3
57 RYRRIPDWMRM 0.3
58 RYRRIPsWMyM 0.3
59 RYRRMPDWMyM 0.3
60 RYRRMPTWMyM 0.32
61 RYRRMPTWMRM 0.32
62 RYRPPPsFMKM 0.33
63 RYRRIPTWMyM 0.33
64 RYRRIPTWMRM 0.33
65 RYRPPPDFMKM 0.34
66 RYRRMPsyMKM 0.34
67 RYRRIPDyMKM 0.35
68 RYRRIPsyMKM 0.35
69 RYRRMPDyMKM 0.35
70 RYRPPPDFMyM 0.36
71 RYRPPPsFMRM 0.36
72 RYRPPPDFMRM 0.36
73 RYRPPPTFMKM 0.36
74 RYRPPPsFMyM 0.36
75 RYRRPPsFMKR 0.37
76 RYRRMPDyMyM 0.37
77 RYRRMPsyMyM 0.37
78 RYRRPPDFMKR 0.37
79 RYRRMPTyMKM 0.37
80 RYRRIPsyMRM 0.37
81 RYRRMPsyMRM 0.37
82 RYRRMPDyMRM 0.37
83 RYRRIPDyMRM 0.38
84 RYRRIPDyMyM 0.38
85 RYRRIPsyMyM 0.38
86 RYRRIPTyMKM 0.38
87 RYRPPPTFMRM 0.39
88 RYRPPPTFMyM 0.39
89 RYRRPPsFMyR 0.4
90 RYRRPPTFMKR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RYRRIPsFMRM

7.83

-21.63

-13.8
2 RYRRIPDFMKM

7.98

-21.56

-13.58
3 RYRRIPTFMKM

7.98

-21.21

-13.23
4 RYRRPPsFMKM

10.18

-22.56

-12.38
5 RYRRIPDFMyM

7.38

-19.53

-12.15
6 RYRRMPDFMRM

8.1

-20.23

-12.13
7 RYRRIPsFMKM

7.76

-19.78

-12.02
8 RYRRIPDFMRM

7.02

-18.78

-11.76
9 RYRRIPsFMyM

7.94

-19.03

-11.09
10 RYRRMPTFMKM

7.58

-18.63

-11.05
11 RYRRMPDFMyM

6.92

-17.88

-10.96
12 RYRRPPsFMyM

10.7

-21.45

-10.75
13 RYRRMPsFMRM

7.31

-17.98

-10.67
14 RYRRMPDFMKM

6.83

-17.2

-10.37
15 RYRRMPsFMyM

7.01

-17.2

-10.19
16 RYRRPPTFMyM

10.71

-20.89

-10.18
17 RYRRPPTFMKM

10.71

-20.8

-10.09
18 RYRRPPsWMRM

10.21

-20.19

-9.98
19 RYRRMPsFMKM

6.98

-16.92

-9.94
20 RYRRPPTWMKM

11.11

-20.99

-9.88
21 RYRRPPTFMRM

11.69

-21.53

-9.84
22 RYRRPPDFMRM

10.63

-20.47

-9.84
23 RYRRPPDWMyM

10.77

-20.59

-9.82
24 RYRRPPDWMKM

10.74

-20.34

-9.6
25 RYRRPPsFMRM

10.76

-19.93

-9.17
26 RYRRPPsWMyM

9.93

-19.09

-9.16
27 RYRRPPDFMKM

10.11

-19.26

-9.15
28 RYRRPPsWMKM

11.13

-19.48

-8.35
29 RYRRPPDFMyM

10.87

-19.16

-8.29
30 RYRRPPDWMRM

12.28

-17.93

-5.65

 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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