Predicted ligand sequences


ADAN-name: 2C0T2.PDB (view again the scoring matrix)

PDB name: [2C0T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T A T E S Q y E E I P
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
A
A
A
A
A
A
y
 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 2.279 ΔGbinding -13.900
TOTAL
 -11.621
Backbone Hb -3.470 Cis_bond 0.000
Sidechain Hb -11.370 Torsional clash 0.100
Van der Waals -9.500 Backbone clash 0.820
Electrostatics -5.990 Helix dipole -0.220
Solvation Polar 19.160 Water bridges -0.470
Solvation Hyd -10.160 Disulfide 0.000
VdW clashes 1.480 Electrost. Kon -2.460
Entropy sc 5.690 Part.cov.bonds 0.000
Entropy mc

3.300

 ΔGstability

11.910
       

Predicted ligand sequences for template [2C0T2.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).
 
  2C0T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 YsyDDsyLsME 0.0
2 YsyDssyLsME 0.0
3 WsyDDsyLsME 0.0
4 WsyDssyLsME 0.0
5 YDyDssyLsME 0.01
6 YDyDDsyLsME 0.01
7 WDyDssyLsME 0.01
8 WDyDDsyLsME 0.01
9 YEyDssyLsME 0.02
10 YEyDDsyLsME 0.02
11 WEyDssyLsME 0.02
12 WEyDDsyLsME 0.02
13 WsyDIsyLsME 0.04
14 WsypDsyLsME 0.04
15 WsypssyLsME 0.04
16 YsyDIsyLsME 0.04
17 YsypDsyLsME 0.04
18 YsypssyLsME 0.04
19 YDyDIsyLsME 0.05
20 WDypDsyLsME 0.05
21 YDypssyLsME 0.05
22 WDyDIsyLsME 0.05
23 YDypDsyLsME 0.05
24 WDypssyLsME 0.05
25 YsysDsyLsME 0.06
26 WsysssyLsME 0.06
27 YEypssyLsME 0.06
28 WEypDsyLsME 0.06
29 YsysssyLsME 0.06
30 YEyDIsyLsME 0.06
31 WEypssyLsME 0.06
32 WsysDsyLsME 0.06
33 YEypDsyLsME 0.06
34 WEyDIsyLsME 0.06
35 YDysDsyLsME 0.07
36 WDysssyLsME 0.07
37 YDysssyLsME 0.07
38 WDysDsyLsME 0.07
39 WsypIsyLsME 0.08
40 YsypIsyLsME 0.08
41 YEysDsyLsME 0.08
42 WEysDsyLsME 0.08
43 WEysssyLsME 0.08
44 YEysssyLsME 0.08
45 WDypIsyLsME 0.09
46 YDypIsyLsME 0.09
47 MsyDssyLsME 0.1
48 WEypIsyLsME 0.1
49 WsysIsyLsME 0.1
50 MsyDDsyLsME 0.1
51 YsysIsyLsME 0.1
52 YEypIsyLsME 0.1
53 YDysIsyLsME 0.11
54 MDyDssyLsME 0.11
55 WDysIsyLsME 0.11
56 MDyDDsyLsME 0.11
57 MEyDDsyLsME 0.12
58 WEysIsyLsME 0.12
59 MEyDssyLsME 0.12
60 YEysIsyLsME 0.12
61 WsyDDsyLyME 0.13
62 YsyDDsyLyME 0.13
63 YsyDssyLyME 0.13
64 WsyDssyLyME 0.13
65 MsyDIsyLsME 0.14
66 MsypDsyLsME 0.14
67 MsypssyLsME 0.14
68 WDyDssyLyME 0.14
69 YDyDssyLyME 0.14
70 YDyDDsyLyME 0.14
71 WDyDDsyLyME 0.14
72 WEyDDsyLyME 0.15
73 MDypssyLsME 0.15
74 WEyDssyLyME 0.15
75 YEyDssyLyME 0.15
76 YEyDDsyLyME 0.15
77 MDypDsyLsME 0.15
78 MDyDIsyLsME 0.15
79 MsysssyLsME 0.16
80 MEypssyLsME 0.16
81 MEypDsyLsME 0.16
82 MEyDIsyLsME 0.16
83 MsysDsyLsME 0.16
84 YsypssyLyME 0.17
85 WsyDIsyLyME 0.17
86 WsypssyLyME 0.17
87 MDysDsyLsME 0.17
88 MDysssyLsME 0.17
89 WsypDsyLyME 0.17
90 YsypDsyLyME 0.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WsypDsyLsME

2.33

-24.28

-21.95
2 YsyDDsyLsME

2.0

-23.46

-21.46
3 YsyDssyLsME

2.08

-23.47

-21.39
4 WDyDDsyLsME

1.93

-23.26

-21.33
5 YsypDsyLsME

2.11

-23.12

-21.01
6 WsypssyLsME

1.96

-22.94

-20.98
7 YDyDIsyLsME

2.18

-23.07

-20.89
8 YsypssyLsME

2.33

-23.18

-20.85
9 WsyDssyLsME

2.29

-22.78

-20.49
10 WsyDIsyLsME

2.2

-22.48

-20.28
11 YsyDIsyLsME

2.67

-22.95

-20.28
12 YsysssyLsME

2.56

-22.79

-20.23
13 YEyDIsyLsME

1.96

-22.14

-20.18
14 WsyDDsyLsME

2.06

-22.21

-20.15
15 YDypDsyLsME

2.43

-22.41

-19.98
16 YDyDDsyLsME

2.59

-22.55

-19.96
17 YEyDssyLsME

2.15

-22.09

-19.94
18 WEyDDsyLsME

2.55

-22.42

-19.87
19 WsysssyLsME

1.64

-21.48

-19.84
20 YEypssyLsME

1.83

-21.61

-19.78
21 WEypDsyLsME

2.91

-22.67

-19.76
22 WDyDIsyLsME

2.07

-21.6

-19.53
23 YsysDsyLsME

2.31

-21.76

-19.45
24 WDypssyLsME

2.88

-22.24

-19.36
25 WEyDssyLsME

2.64

-21.68

-19.04
26 WDyDssyLsME

1.97

-20.8

-18.83
27 YDyDssyLsME

3.08

-21.86

-18.78
28 WDypDsyLsME

4.23

-22.29

-18.06
29 YDypssyLsME

3.27

-20.9

-17.63
30 YEyDDsyLsME

2.55

-17.86

-15.31

 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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