Predicted ligand sequences


ADAN-name: 1CWE2.PDB (view again the scoring matrix)

PDB name: [1CWE.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q y E E I P
position 1 2 3 4 5 6
poly-Ala 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 5.445 ΔGbinding -10.700
TOTAL
 -5.255
Backbone Hb -2.130 Cis_bond 0.000
Sidechain Hb -3.330 Torsional clash 0.270
Van der Waals -8.550 Backbone clash 0.770
Electrostatics -4.130 Helix dipole 0.000
Solvation Polar 13.520 Water bridges -0.850
Solvation Hyd -10.090 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon -2.590
Entropy sc 4.120 Part.cov.bonds 0.000
Entropy mc

2.920

 ΔGstability

26.880
       

Predicted ligand sequences for template [1CWE2.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).
 
  1CWE2.PDB  

(data)
# Predicted Sequences Value Calculate
1 DyDyMG 0.0
2 syDyMG 0.06
3 DyDyLG 0.15
4 EyDyMG 0.19
5 DyDyMP 0.2
6 syDyLG 0.21
7 syDyMP 0.26
8 DyDEMG 0.26
9 DyDsMG 0.3
10 syDEMG 0.32
11 DyDyMA 0.33
12 EyDyLG 0.34
13 DyDyLP 0.35
14 syDsMG 0.36
15 DyDDMG 0.37
16 syDyMA 0.39
17 EyDyMP 0.39
18 DyDELG 0.41
19 syDyLP 0.41
20 DyDyMW 0.42
21 syDDMG 0.43
22 DyDsLG 0.45
23 EyDEMG 0.45
24 DyDEMP 0.46
25 syDELG 0.47
26 syDyMW 0.48
27 DyDyLA 0.48
28 EyDsMG 0.49
29 DyDsMP 0.5
30 syDsLG 0.51
31 EyDyMA 0.52
32 DyDDLG 0.52
33 syDEMP 0.52
34 syDyLA 0.54
35 EyDyLP 0.54
36 syDsMP 0.56
37 EyDDMG 0.56
38 DyDyLW 0.57
39 DyDDMP 0.57
40 syDDLG 0.58
41 DyDEMA 0.59
42 EyDELG 0.6
43 DyDELP 0.61
44 EyDyMW 0.61
45 syDDMP 0.63
46 syDyLW 0.63
47 DyDsMA 0.63
48 EyDsLG 0.64
49 DyDsLP 0.65
50 EyDEMP 0.65
51 syDEMA 0.65
52 EyDyLA 0.67
53 syDELP 0.67
54 DyDEMW 0.68
55 syDsMA 0.69
56 EyDsMP 0.69
57 DyDDMA 0.7
58 EyDDLG 0.71
59 syDsLP 0.71
60 DyDDLP 0.72
61 DyDsMW 0.72
62 DyDELA 0.74
63 syDEMW 0.74
64 syDDMA 0.76
65 EyDyLW 0.76
66 EyDDMP 0.76
67 syDsMW 0.78
68 DyDsLA 0.78
69 syDDLP 0.78
70 EyDEMA 0.78
71 DyDDMW 0.79
72 EyDELP 0.8
73 syDELA 0.8
74 EyDsMA 0.82
75 DyDELW 0.83
76 syDsLA 0.84
77 EyDsLP 0.84
78 syDDMW 0.85
79 DyDDLA 0.85
80 DyDsLW 0.87
81 EyDEMW 0.87
82 EyDDMA 0.89
83 syDELW 0.89
84 EyDDLP 0.91
85 EyDsMW 0.91
86 syDDLA 0.91
87 syDsLW 0.93
88 EyDELA 0.93
89 DyDDLW 0.94
90 EyDsLA 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DyDyMG

5.09

-14.45

-9.36
2 DyDyLP

2.75

-12.11

-9.36
3 syDyMG

3.46

-12.81

-9.35
4 syDyMP

3.42

-12.67

-9.25
5 EyDEMG

5.03

-13.85

-8.82
6 DyDsMP

5.08

-13.8

-8.72
7 DyDyMP

3.39

-11.96

-8.57
8 DyDEMG

5.12

-13.66

-8.54
9 DyDsMG

5.21

-13.66

-8.45
10 DyDEMP

3.48

-11.85

-8.37
11 syDEMG

5.08

-13.28

-8.2
12 syDyMA

5.56

-13.74

-8.18
13 syDDMG

3.34

-11.5

-8.16
14 syDsLG

5.17

-13.22

-8.05
15 EyDyMP

3.4

-11.37

-7.97
16 EyDsMG

4.88

-12.82

-7.94
17 DyDELG

5.02

-12.92

-7.9
18 syDsMG

4.7

-12.6

-7.9
19 syDyLG

5.45

-13.32

-7.87
20 DyDyMW

4.07

-11.73

-7.66
21 DyDyLA

3.44

-10.96

-7.52
22 syDyMW

5.77

-13.27

-7.5
23 syDyLP

3.58

-11.02

-7.44
24 DyDyMA

5.32

-12.7

-7.38
25 DyDDMG

4.74

-11.94

-7.2
26 DyDyLG

4.16

-11.19

-7.03
27 DyDsLG

3.94

-10.93

-6.99
28 EyDyMG

4.74

-11.53

-6.79
29 syDELG

4.77

-11.22

-6.45
30 EyDyLG

5.2

-10.81

-5.61

 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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