Predicted ligand
sequences


ADAN-name: 1AWJ2.PDB (view again the scoring matrix)

PDB name: [1AWJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K P L P P T P E D N
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
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 18.551 ΔGbinding 0.480
TOTAL
19.031
Backbone Hb -0.450 Cis_bond 0.000
Sidechain Hb -0.450 Torsional clash 0.020
Van der Waals -5.930 Backbone clash 1.080
Electrostatics -0.100 Helix dipole 0.000
Solvation Polar 5.360 Water bridges -0.350
Solvation Hyd -8.150 Disulfide 0.000
VdW clashes 5.430 Electrost. Kon -0.090
Entropy sc 2.460 Part.cov.bonds 0.000
Entropy mc

2.710

ΔGstability

138.690

       

Predicted ligand sequences for template [1AWJ2.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).

 
  1AWJ2.PDB  

(data)

# Predicted Sequences Value Calculate
1 RRGMQNEMGMI 0.0
2 RRGMQHEMGMI 0.0
3 RRGMQMEMGMI 0.0
4 RRGMQHHMGMI 0.02
5 RRGMQMHMGMI 0.02
6 RRGMQNHMGMI 0.02
7 RRGGQNEMGMI 0.05
8 RRGGQMEMGMI 0.05
9 RRGGQHEMGMI 0.05
10 RAGMQHEMGMI 0.06
11 RCGMQHEMGMI 0.06
12 RAGMQNEMGMI 0.06
13 RCGMQMEMGMI 0.06
14 RCGMQNEMGMI 0.06
15 RAGMQMEMGMI 0.06
16 RRGMQNEPGMI 0.07
17 RRGMQMEMEMI 0.07
18 RRGGQNHMGMI 0.07
19 RRGGQMHMGMI 0.07
20 RRGMQMVMGMI 0.07
21 RRGMQHVMGMI 0.07
22 RRGGQHHMGMI 0.07
23 RRGMQHEMEMI 0.07
24 RRGMQHEPGMI 0.07
25 RRGMQNVMGMI 0.07
26 RRGMQNEMEMI 0.07
27 RRGMQMEPGMI 0.07
28 RRGMQHEMPMI 0.08
29 RAGMQMHMGMI 0.08
30 RRGMQMEMPMI 0.08
31 RCGMQNHMGMI 0.08
32 RCGMQMHMGMI 0.08
33 RAGMQHHMGMI 0.08
34 RAGMQNHMGMI 0.08
35 RCGMQHHMGMI 0.08
36 RRGMQNEMPMI 0.08
37 RRGMQMHPGMI 0.09
38 RRDMQHEMGMI 0.09
39 RRDMQMEMGMI 0.09
40 RRGMQHHPGMI 0.09
41 RRDMQNEMGMI 0.09
42 RRGMQNHPGMI 0.09
43 RRGMQNHMPMI 0.1
44 RRGMQHHMEMI 0.1
45 RRGMQNHMEMI 0.1
46 RRGMQHHMPMI 0.1
47 RRGMQMHMEMI 0.1
48 RRGMQMHMPMI 0.1
49 RRDMQNHMGMI 0.11
50 RCGGQMEMGMI 0.11
51 RRDMQHHMGMI 0.11
52 RCGGQNEMGMI 0.11
53 RCGGQHEMGMI 0.11
54 RRDMQMHMGMI 0.11
55 RAGGQMEMGMI 0.11
56 RAGGQHEMGMI 0.11
57 RAGGQNEMGMI 0.11
58 RRGGQHEPGMI 0.12
59 RRGGQNEPGMI 0.12
60 RRGGQNVMGMI 0.12
61 RRGGQMVMGMI 0.12
62 RRGGQHVMGMI 0.12
63 RRGGQMEPGMI 0.12
64 RRGGQHEMEMI 0.13
65 RCGMQMEPGMI 0.13
66 RAGMQMVMGMI 0.13
67 RRGGQMEMEMI 0.13
68 RAGMQNEPGMI 0.13
69 RAGMQMEPGMI 0.13
70 RCGMQHVMGMI 0.13
71 RCGMQMEMEMI 0.13
72 RRGGQHEMPMI 0.13
73 RAGMQNEMEMI 0.13
74 RRGGQNEMEMI 0.13
75 RCGMQHEPGMI 0.13
76 RCGGQHHMGMI 0.13
77 RCGMQMVMGMI 0.13
78 RAGMQHEMEMI 0.13
79 RRGMQNEMGMV 0.13
80 RCGGQMHMGMI 0.13
81 RAGMQNVMGMI 0.13
82 RAGMQHEPGMI 0.13
83 RAGMQMEMEMI 0.13
84 RCGMQNVMGMI 0.13
85 RRGGQMEMPMI 0.13
86 RAGMQHVMGMI 0.13
87 RRGMQHEMGMV 0.13
88 RRGMQMEMGMV 0.13
89 RCGMQHEMEMI 0.13
90 RAGGQHHMGMI 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

 

(Help)

# Precalculated Models Intraclash ΔGbinding Total
1 RCGMQHEMGMI

14.85

-1.94

12.91

2 RRGMQHHMGMI

16.27

-2.13

14.14

3 RCGMQNEMGMI

15.7

-1.47

14.23

4 RRGMQHEMEMI

16.82

-2.46

14.36

5 RRGMQNEMEMI

17.64

-3.1

14.54

6 RAGMQNEMGMI

15.42

-0.68

14.74

7 RRGMQHVMGMI

18.0

-3.24

14.76

8 RRGGQMEMGMI

15.5

-0.7

14.8

9 RRGMQHEMGMI

17.46

-2.62

14.84

10 RRGGQNEMGMI

15.7

-0.62

15.08

11 RRGGQMHMGMI

15.37

-0.26

15.11

12 RRGGQHHMGMI

16.0

-0.54

15.46

13 RRGMQMVMGMI

19.87

-3.79

16.08

14 RRGMQMEPGMI

18.12

-1.85

16.27

15 RRGMQMEMEMI

19.28

-2.67

16.61

16 RRGGQNHMGMI

19.0

-2.24

16.76

17 RAGMQMHMGMI

19.88

-2.79

17.09

18 RRGMQMEMGMI

19.8

-2.68

17.12

19 RRGMQNHMGMI

20.57

-3.4

17.17

20 RRGMQNEMGMI

19.66

-2.37

17.29

21 RRGMQMHMGMI

17.98

-0.61

17.37

22 RRGMQMEMPMI

20.3

-2.82

17.48

23 RCGMQMEMGMI

18.42

-0.82

17.6

24 RRGGQHEMGMI

19.05

-1.3

17.75

25 RAGMQHEMGMI

20.23

-2.39

17.84

26 RRGMQNEPGMI

17.54

0.35

17.89

27 RRGMQHEPGMI

18.79

-0.67

18.12

28 RAGMQMEMGMI

20.8

-2.16

18.64

29 RRGMQNVMGMI

20.69

-2.01

18.68

30 RRGMQHEMPMI

20.68

-1.38

19.3

 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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