Predicted ligand sequences


ADAN-name: 2CBL2.PDB (view again the scoring matrix)

PDB name: [2CBL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S D G y T P E P A
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
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 6.901 ΔGbinding -13.292
TOTAL
 -6.391
Backbone Hb -5.213 Cis_bond 0.000
Sidechain Hb -6.787 Torsional clash 0.904
Van der Waals -10.972 Backbone clash 0.318
Electrostatics -1.893 Helix dipole -0.009
Solvation Polar 17.738 Water bridges -0.078
Solvation Hyd -13.405 Disulfide 0.000
VdW clashes 0.913 Electrost. Kon -1.043
Entropy sc 2.310 Part.cov.bonds 0.000
Entropy mc

4.243

 ΔGstability

-42.379
       

Predicted ligand sequences for template [2CBL2.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).
 
  2CBL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HPMFIPEPW 0.0
2 HPMFIPEPG 0.01
3 HPMFIPFPW 0.03
4 HPMFIPFPG 0.04
5 HPWFIPEPW 0.1
6 HPWFIPEPG 0.11
7 HPWFIPFPW 0.13
8 HPWFIPFPG 0.14
9 HPyFIPEPW 0.15
10 HPyFIPEPG 0.16
11 HPyFIPFPW 0.19
12 HPyFIPFPG 0.19
13 HPMFIEEPW 0.2
14 HPMFIEEPG 0.21
15 HPMFIEFPW 0.23
16 HPMFIEFPG 0.24
17 HPMFIPMPW 0.25
18 HPMFIPMPG 0.25
19 HPMFIsEPW 0.26
20 HPMFIsEPG 0.27
21 HPMFIsFPW 0.3
22 HPMFIsFPG 0.3
23 HPWFIEEPW 0.3
24 HPWFIEEPG 0.31
25 HPWFIEFPW 0.33
26 HPWFIEFPG 0.34
27 HPyFIEEPW 0.35
28 HPWFIPMPG 0.35
29 HPWFIPMPW 0.35
30 HPyFIEEPG 0.36
31 HPWFIsEPW 0.36
32 HPWFIsEPG 0.37
33 HPMFFPEPW 0.37
34 HPMFFPEPG 0.37
35 HPyFIEFPG 0.39
36 HPyFIEFPW 0.39
37 HPWFIsFPG 0.4
38 HPWFIsFPW 0.4
39 HPyFIPMPW 0.4
40 HPyFIPMPG 0.4
41 HPMFFPFPW 0.4
42 HPMFFPFPG 0.41
43 HPyFIsEPW 0.41
44 HPMFIPEPH 0.42
45 HPyFIsEPG 0.42
46 HPMFIPFPH 0.45
47 HPyFIsFPW 0.45
48 HPyFIsFPG 0.45
49 HPMFIEMPW 0.45
50 HPMFIEMPG 0.45
51 HPMFWPEPG 0.46
52 HPMFWPEPW 0.46
53 HPWFFPEPG 0.47
54 HPWFFPEPW 0.47
55 FPMFIPEPW 0.47
56 FPMFIPEPG 0.48
57 HPMFWPFPW 0.49
58 HPWFFPFPW 0.5
59 HPMFWPFPG 0.5
60 HPMFIsMPW 0.51
61 FPMFIPFPG 0.51
62 FPMFIPFPW 0.51
63 HPWFFPFPG 0.51
64 HPyFFPEPW 0.52
65 HPyFFPEPG 0.52
66 HPMFIsMPG 0.52
67 HPWFIPEPH 0.52
68 HPWFIPFPH 0.55
69 HPWFIEMPW 0.55
70 HPWFIEMPG 0.55
71 HPyFFPFPW 0.55
72 HPWFWPEPW 0.56
73 HPWFWPEPG 0.56
74 HPyFFPFPG 0.56
75 FPWFIPEPW 0.57
76 HPMFFEEPG 0.57
77 HPMFFEEPW 0.57
78 HPyFIPEPH 0.57
79 FPWFIPEPG 0.58
80 HPWFWPFPW 0.59
81 HPMFFEFPW 0.6
82 HPWFWPFPG 0.6
83 HPyFIEMPW 0.6
84 HPyFIEMPG 0.6
85 HPyFIPFPH 0.6
86 HPMFFPMPW 0.61
87 FPWFIPFPG 0.61
88 FPWFIPFPW 0.61
89 HPMFFEFPG 0.61
90 HPyFWPEPG 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HPMFIEFPG

7.19

-18.52

-11.33
2 HPMFIPMPW

7.87

-18.57

-10.7
3 HPMFIPMPG

7.4

-17.84

-10.44
4 HPMFIsEPG

7.25

-17.46

-10.21
5 HPMFIEEPW

7.41

-17.57

-10.16
6 HPMFIPFPW

6.52

-16.63

-10.11
7 HPMFIEEPG

7.0

-17.08

-10.08
8 HPWFIPFPG

7.71

-17.74

-10.03
9 HPWFIPMPG

7.68

-17.64

-9.96
10 HPMFIPEPG

7.37

-17.27

-9.9
11 HPWFIPEPG

7.27

-17.15

-9.88
12 HPMFIsFPW

6.66

-16.47

-9.81
13 HPWFIEEPW

7.54

-17.29

-9.75
14 HPWFIPMPW

8.27

-17.77

-9.5
15 HPMFIsEPW

7.99

-17.46

-9.47
16 HPMFIsFPG

7.68

-16.89

-9.21
17 HPMFIPEPW

7.91

-16.82

-8.91
18 HPWFIEFPW

7.92

-16.77

-8.85
19 HPWFIEFPG

7.11

-15.93

-8.82
20 HPyFIPEPG

7.2

-16.01

-8.81
21 HPyFIEEPG

7.37

-16.16

-8.79
22 HPWFIPEPW

8.28

-16.93

-8.65
23 HPWFIEEPG

6.87

-15.25

-8.38
24 HPWFIPFPW

8.75

-16.7

-7.95
25 HPyFIPFPW

6.91

-14.76

-7.85
26 HPMFIPFPG

8.32

-15.84

-7.52
27 HPyFIPEPW

9.24

-16.57

-7.33
28 HPMFIEFPW

8.41

-14.71

-6.3
29 HPyFIEEPW

9.19

-14.89

-5.7
30 HPyFIPFPG

11.59

-15.58

-3.99

 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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