Predicted ligand sequences


ADAN-name: 2C1M2.PDB (view again the scoring matrix)

PDB name: [2C1M.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M A K R V A E K E L T D R N W D E E D E
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
 A A
A
 A
A
A
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 7.999 ΔGbinding -28.517
TOTAL
 -20.518
Backbone Hb -5.462 Cis_bond 0.000
Sidechain Hb -18.512 Torsional clash 2.157
Van der Waals -16.631 Backbone clash 2.489
Electrostatics -9.516 Helix dipole -0.064
Solvation Polar 27.165 Water bridges -1.036
Solvation Hyd -19.523 Disulfide 0.000
VdW clashes 1.862 Electrost. Kon -5.584
Entropy sc 10.832 Part.cov.bonds 0.000
Entropy mc

5.795

 ΔGstability

-77.491
       

Predicted ligand sequences for template [2C1M2.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).
 
  2C1M2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWKMNCYYHYDKNDWWYDDy 0.0
2 RWKLNCYYHYDKNDWWYDDy 0.01
3 RWKMNCYYHYDKNDWWYpDy 0.02
4 RWKLNCYYHYDKNDWWYpDy 0.03
5 RWKMNCYYHYDKNDWWYsDy 0.03
6 RWKLNCYYHYDKNDWWYsDy 0.03
7 RWKRNCYYHYDKNDWWYDDy 0.05
8 RWKRNCYYHYDKNDWWYpDy 0.07
9 RWKRNCYYHYDKNDWWYsDy 0.07
10 RWKMNCYYHYDKNDWRYDDy 0.09
11 RWKLNCYYHYDKNDWRYDDy 0.09
12 RWKMNCYYHYDKNDWRYsDy 0.11
13 RWKMNCYYHYDKNDWRYpDy 0.11
14 RWKLNCYYHYDKNDWRYsDy 0.12
15 RWKLNCYYHYDKNDWRYpDy 0.12
16 RWKMNCRYHYDKNDWWYDDy 0.14
17 RWKRNCYYHYDKNDWRYDDy 0.14
18 RWKLNCRYHYDKNDWWYDDy 0.15
19 RWKMNCRYHYDKNDWWYpDy 0.16
20 RWKRNCYYHYDKNDWRYsDy 0.16
21 RWKRNCYYHYDKNDWRYpDy 0.16
22 RWKLNCRYHYDKNDWWYpDy 0.17
23 RWKMNCRYHYDKNDWWYsDy 0.17
24 RWKLNCRYHYDKNDWWYsDy 0.17
25 RWKRNCRYHYDKNDWWYDDy 0.19
26 RWKLNCFYHYDKNDWWYDDy 0.2
27 RWKMNCFYHYDKNDWWYDDy 0.2
28 RWKMNCYYHYDKNDWWYDDE 0.21
29 RWKLNCYYHYDKNDWWYDDE 0.21
30 RWKRNCRYHYDKNDWWYpDy 0.21
31 RWKMNCYYHYDKNDWWYDDG 0.22
32 RWKMNCFYHYDKNDWWYpDy 0.22
33 RWKRNCRYHYDKNDWWYsDy 0.22
34 RWKMNCFYHYDKNDWWYsDy 0.22
35 RWKMNCYYHYDKNDWWYsDE 0.23
36 RWKMNCRYHYDKNDWRYDDy 0.23
37 RWKLNCRYHYDKNDWRYDDy 0.23
38 RWKLNCFYHYDKNDWWYsDy 0.23
39 RWKLNCYYHYDKNDWWYDDG 0.23
40 RWKLNCFYHYDKNDWWYpDy 0.23
41 RWKMNCYYHYDKNDWWYpDE 0.23
42 RWKLNCYYHYDKNDWWYpDE 0.24
43 RWKLNCYYHYDKNDWWYsDE 0.24
44 RWKMNCYYHYDKNDWWHDDy 0.24
45 RWKMNCYYHYDKNDWWYpDG 0.24
46 RWKLNCYYHYDKNDWWYpDG 0.25
47 RWKMNCYYHYDKNDWWYsDG 0.25
48 RWKMNCRYHYDKNDWRYsDy 0.25
49 RWKLNCYYHYDKNDWWHDDy 0.25
50 RWKMNCRYHYDKNDWRYpDy 0.25
51 RWKRNCFYHYDKNDWWYDDy 0.25
52 RWKLNCYYHYDKNDWWYsDG 0.26
53 RWKMNCYYHYDKNDWWHpDy 0.26
54 RWKRNCYYHYDKNDWWYDDE 0.26
55 RWKLNCRYHYDKNDWRYsDy 0.26
56 RWKLNCRYHYDKNDWRYpDy 0.26
57 RWKRNCFYHYDKNDWWYsDy 0.27
58 RWKMNCYYHYDKNpWWYDDy 0.27
59 RWKLNCYYHYDKNDWWHpDy 0.27
60 RWKRNCYYHYDKNDWWYDDG 0.27
61 RWKRNCFYHYDKNDWWYpDy 0.27
62 RWKMNCYYHYDKNDWWHsDy 0.27
63 RWKLNCYYHYDKNDWWHsDy 0.27
64 RWKRNCRYHYDKNDWRYDDy 0.28
65 RWKMNCFYHYDKNDWRYDDy 0.28
66 RWKLNCYYHYDKNpWWYDDy 0.28
67 RWKRNCYYHYDKNDWWYsDE 0.28
68 RWKRNCYYHYDKNDWWYpDE 0.28
69 RWKLNCFYHYDKNDWRYDDy 0.29
70 RWKMNCYYHYDKNpWWYpDy 0.29
71 RWKMNCYYHYDKNDWRYDDE 0.29
72 RWKRNCYYHYDKNDWWHDDy 0.29
73 RWKRNCYYHYDKNDWWYpDG 0.29
74 RWKLNCYYHYDKNpWWYpDy 0.3
75 RWKRNCRYHYDKNDWRYpDy 0.3
76 RWKRNCRYHYDKNDWRYsDy 0.3
77 RWKMNCYYHYDKNpWWYsDy 0.3
78 RWKLNCYYHYDKNDWRYDDE 0.3
79 RWKRNCYYHYDKNDWWYsDG 0.3
80 RWKRNCYYHYDKNDWWHpDy 0.31
81 RWKMNCYYHYDKNDWRYDDG 0.31
82 RWKLNCFYHYDKNDWRYpDy 0.31
83 RWKMNCFYHYDKNDWRYsDy 0.31
84 RWKMNCFYHYDKNDWRYpDy 0.31
85 RWKLNCYYHYDKNpWWYsDy 0.31
86 RWKLNCYYHYDKNDWRYpDE 0.32
87 RWKLNCYYHYDKNDWRYDDG 0.32
88 RWKMyCYYHYDKNDWWYDDy 0.32
89 RWKMNCYYHYDKNDWRYsDE 0.32
90 RWKLyCYYHYDKNDWWYDDy 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWKMNCRYHYDKNDWWYsDy

5.78

-33.29

-27.51
2 RWKRNCYYHYDKNDWWYDDy

4.91

-32.28

-27.37
3 RWKLNCFYHYDKNDWWYDDy

6.33

-33.19

-26.86
4 RWKMNCRYHYDKNDWWYpDy

5.61

-32.05

-26.44
5 RWKRNCYYHYDKNDWRYDDy

4.9

-31.28

-26.38
6 RWKMNCYYHYDKNDWWYDDy

5.15

-31.44

-26.29
7 RWKLNCYYHYDKNDWRYpDy

5.82

-32.08

-26.26
8 RWKMNCYYHYDKNDWRYsDy

6.56

-32.55

-25.99
9 RWKMNCYYHYDKNDWWYDDE

4.28

-30.04

-25.76
10 RWKLNCYYHYDKNDWRYDDy

6.32

-32.05

-25.73
11 RWKLNCYYHYDKNDWRYsDy

6.46

-31.87

-25.41
12 RWKMNCYYHYDKNDWWYpDy

5.31

-30.7

-25.39
13 RWKLNCYYHYDKNDWWYpDy

5.65

-30.99

-25.34
14 RWKMNCFYHYDKNDWWYDDy

5.89

-30.66

-24.77
15 RWKRNCYYHYDKNDWRYsDy

7.39

-32.04

-24.65
16 RWKMNCYYHYDKNDWRYpDy

5.98

-30.22

-24.24
17 RWKMNCYYHYDKNDWWYsDy

5.68

-29.36

-23.68
18 RWKRNCYYHYDKNDWWYpDy

7.7

-29.79

-22.09
19 RWKLNCYYHYDKNDWWYDDy

5.53

-27.55

-22.02
20 RWKLNCYYHYDKNDWWYsDy

5.74

-27.49

-21.75
21 RWKMNCYYHYDKNDWRYDDy

5.4

-27.09

-21.69
22 RWKRNCYYHYDKNDWRYpDy

4.74

-26.4

-21.66
23 RWKRNCYYHYDKNDWWYsDy

7.74

-28.86

-21.12
24 RWKRNCRYHYDKNDWWYpDy

8.54

-27.96

-19.42
25 RWKLNCYYHYDKNDWWYDDE

8.14

-25.74

-17.6
26 RWKMNCRYHYDKNDWWYDDy

11.02

-24.47

-13.45
27 RWKLNCRYHYDKNDWWYDDy

10.07

-22.02

-11.95
28 RWKLNCRYHYDKNDWWYsDy

16.15

-25.42

-9.27
29 RWKRNCRYHYDKNDWWYDDy

30.44

-25.9

4.54
30 RWKLNCRYHYDKNDWWYpDy

26.58

-20.99

5.59

 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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