Predicted ligand sequences


ADAN-name: 1CMX2.PDB (view again the scoring matrix)

PDB name: [1CMX.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H L V L R L R G
position 1 2 3 4 5 6 7 8
poly-Ala
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 6.086 ΔGbinding -21.522
TOTAL
 -15.436
Backbone Hb -9.113 Cis_bond 0.000
Sidechain Hb -9.900 Torsional clash 3.514
Van der Waals -14.830 Backbone clash 0.239
Electrostatics -5.439 Helix dipole -0.009
Solvation Polar 22.077 Water bridges -0.078
Solvation Hyd -18.004 Disulfide 0.000
VdW clashes 0.763 Electrost. Kon -3.060
Entropy sc 5.131 Part.cov.bonds 0.000
Entropy mc

7.425

 ΔGstability

26.968
       

Predicted ligand sequences for template [1CMX2.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).
 
  1CMX2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WFKIRLRG 0.0
2 WFKIRFRG 0.08
3 WFKRRLRG 0.12
4 WFHIRLRG 0.16
5 WFKWRLRG 0.2
6 WFKRRFRG 0.2
7 WYKIRLRG 0.21
8 WFHIRFRG 0.24
9 WFKIRHRG 0.28
10 WFKWRFRG 0.28
11 WFHRRLRG 0.28
12 WYKIRFRG 0.29
13 FFKIRLRG 0.3
14 WYKRRLRG 0.33
15 WFHWRLRG 0.36
16 WFHRRFRG 0.36
17 FFKIRFRG 0.38
18 WYHIRLRG 0.38
19 WFKRRHRG 0.4
20 WYKRRFRG 0.41
21 WYKWRLRG 0.41
22 FFKRRLRG 0.42
23 WFHWRFRG 0.44
24 WFHIRHRG 0.44
25 WYHIRFRG 0.46
26 FFHIRLRG 0.46
27 WWKIRLRG 0.48
28 WFKWRHRG 0.48
29 WYKWRFRG 0.49
30 WYKIRHRG 0.49
31 FFKRRFRG 0.5
32 WYHRRLRG 0.5
33 FFKWRLRG 0.5
34 FYKIRLRG 0.51
35 FFHIRFRG 0.54
36 WWKIRFRG 0.56
37 WYHWRLRG 0.57
38 WFHRRHRG 0.57
39 WYHRRFRG 0.58
40 FFKWRFRG 0.58
41 FFKIRHRG 0.58
42 FYKIRFRG 0.59
43 FFHRRLRG 0.59
44 WWKRRLRG 0.6
45 WYKRRHRG 0.61
46 WFHWRHRG 0.64
47 FYKRRLRG 0.64
48 WWHIRLRG 0.64
49 WYHWRFRG 0.65
50 WYHIRHRG 0.66
51 FFHWRLRG 0.66
52 FFHRRFRG 0.67
53 WWKWRLRG 0.67
54 FYHIRLRG 0.68
55 WWKRRFRG 0.68
56 WYKWRHRG 0.69
57 FFKRRHRG 0.7
58 FYKRRFRG 0.71
59 FYKWRLRG 0.71
60 WWHIRFRG 0.72
61 FFHWRFRG 0.74
62 WWKWRFRG 0.75
63 FFHIRHRG 0.75
64 WWKIRHRG 0.76
65 WWHRRLRG 0.76
66 FYHIRFRG 0.76
67 WYHRRHRG 0.78
68 FFKWRHRG 0.78
69 FWKIRLRG 0.78
70 FYKWRFRG 0.79
71 FYKIRHRG 0.8
72 FYHRRLRG 0.8
73 WWHWRLRG 0.84
74 WWHRRFRG 0.84
75 WYHWRHRG 0.85
76 FWKIRFRG 0.86
77 FFHRRHRG 0.87
78 FYHWRLRG 0.87
79 FYHRRFRG 0.88
80 WWKRRHRG 0.88
81 FWKRRLRG 0.9
82 WWHIRHRG 0.92
83 FYKRRHRG 0.92
84 WWHWRFRG 0.92
85 FWHIRLRG 0.94
86 FFHWRHRG 0.94
87 WWKWRHRG 0.95
88 FYHWRFRG 0.95
89 FYHIRHRG 0.96
90 FWKWRLRG 0.98
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FFKIRLRG

4.83

-23.59

-18.76
2 WFKIRLRG

4.69

-21.99

-17.3
3 WFKWRLRG

4.96

-22.06

-17.1
4 WFHRRLRG

4.86

-21.4

-16.54
5 WFKRRLRG

4.67

-20.84

-16.17
6 WYHIRLRG

4.92

-21.01

-16.09
7 WYKRRFRG

5.32

-21.16

-15.84
8 WYKRRLRG

4.67

-20.42

-15.75
9 WFKRRHRG

4.9

-20.64

-15.74
10 WWKIRLRG

4.9

-20.35

-15.45
11 FFHIRLRG

5.14

-20.2

-15.06
12 FFKRRLRG

4.46

-19.16

-14.7
13 WFKRRFRG

4.96

-19.58

-14.62
14 WFHIRLRG

6.1

-20.56

-14.46
15 WYKIRFRG

7.91

-22.21

-14.3
16 WFHIRHRG

8.71

-22.97

-14.26
17 WYKIRHRG

8.5

-22.49

-13.99
18 WFHIRFRG

8.43

-21.85

-13.42
19 WYKWRLRG

6.93

-19.8

-12.87
20 WYKIRLRG

6.7

-19.45

-12.75
21 WFHRRFRG

10.39

-21.75

-11.36
22 WFKWRFRG

8.24

-18.8

-10.56
23 FFKIRFRG

5.21

-15.57

-10.36
24 WFHWRLRG

10.27

-19.59

-9.32
25 WFKIRFRG

5.16

-14.32

-9.16
26 WFKWRHRG

12.64

-20.62

-7.98
27 WFKIRHRG

8.72

-15.94

-7.22
28 WFHWRFRG

13.83

-19.97

-6.14
29 WYHIRFRG

6.74

-11.01

-4.27
30 WYKWRFRG

13.49

-11.72

1.77

 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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