Predicted ligand sequences


ADAN-name: 1X273.PDB (view again the scoring matrix)

PDB name: [1X27.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D y D Y V
position 1 2 3 4 5
poly-Ala A
y
 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    

(Help)

Intraclash 5.409 ΔGbinding -6.180
TOTAL
 -0.771
Backbone Hb -4.520 Cis_bond 0.000
Sidechain Hb -4.740 Torsional clash 0.090
Van der Waals -7.120 Backbone clash 1.030
Electrostatics -4.200 Helix dipole 0.000
Solvation Polar 14.800 Water bridges -0.470
Solvation Hyd -6.950 Disulfide 0.000
VdW clashes 0.580 Electrost. Kon -2.630
Entropy sc 4.290 Part.cov.bonds 0.000
Entropy mc

4.690

 ΔGstability

42.500
       

Predicted ligand sequences for template [1X273.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).
 
  1X273.PDB  

(data)
# Predicted Sequences Value Calculate
1 yEDsI 0.0
2 yEEsI 0.03
3 yEDsP 0.27
4 yEEsP 0.3
5 sEDsI 0.32
6 sEEsI 0.35
7 DEDsI 0.44
8 yEDyI 0.47
9 DEEsI 0.47
10 yEEyI 0.5
11 yEMsI 0.53
12 sEDsP 0.58
13 sEEsP 0.62
14 yEssI 0.64
15 GEDsI 0.69
16 EEDsI 0.7
17 DEDsP 0.71
18 yENsI 0.71
19 yEDsD 0.72
20 GEEsI 0.72
21 EEEsI 0.73
22 yEDyP 0.74
23 DEEsP 0.74
24 yEEsD 0.76
25 yEEyP 0.77
26 sEDyI 0.78
27 yEMsP 0.79
28 sEEyI 0.82
29 sEMsI 0.84
30 yEssP 0.91
31 DEDyI 0.91
32 DEEyI 0.94
33 GEDsP 0.96
34 DEMsI 0.96
35 EEDsP 0.96
36 sEssI 0.96
37 yENsP 0.97
38 GEEsP 0.99
39 yEMyI 1.0
40 EEEsP 1.0
41 sENsI 1.02
42 sEDsD 1.04
43 sEDyP 1.05
44 sEEsD 1.07
45 DEssI 1.08
46 sEEyP 1.09
47 sEMsP 1.11
48 yEsyI 1.11
49 DENsI 1.14
50 DEDsD 1.16
51 GEDyI 1.16
52 EEDyI 1.17
53 yENyI 1.17
54 DEDyP 1.17
55 GEEyI 1.19
56 yEDyD 1.19
57 DEEsD 1.19
58 EEEyI 1.2
59 DEEyP 1.21
60 GEMsI 1.22
61 EEMsI 1.22
62 yEEyD 1.22
63 DEMsP 1.23
64 sEssP 1.23
65 yEMsD 1.25
66 yEMyP 1.26
67 sENsP 1.29
68 sEMyI 1.31
69 EEssI 1.34
70 GEssI 1.34
71 DEssP 1.35
72 yEssD 1.37
73 yEsyP 1.38
74 GENsI 1.4
75 EENsI 1.4
76 GEDsD 1.41
77 DENsP 1.41
78 EEDsD 1.42
79 DEMyI 1.43
80 yENsD 1.43
81 EEDyP 1.43
82 GEDyP 1.43
83 sEsyI 1.43
84 yENyP 1.44
85 GEEsD 1.45
86 EEEsD 1.45
87 GEEyP 1.46
88 EEEyP 1.47
89 sENyI 1.49
90 GEMsP 1.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DEDsI

2.27

-10.2

-7.93
2 sEDyI

2.24

-10.13

-7.89
3 EEDsI

2.4

-9.7

-7.3
4 EEEsI

2.3

-9.51

-7.21
5 yEDsP

2.25

-9.42

-7.17
6 sEEyI

2.13

-9.25

-7.12
7 yEDyI

3.14

-10.14

-7.0
8 DEEsP

2.3

-9.29

-6.99
9 DEDsP

2.23

-9.06

-6.83
10 sEEsP

2.66

-9.34

-6.68
11 yEDsI

2.5

-9.1

-6.6
12 DEEsI

2.36

-8.8

-6.44
13 GEDsI

1.16

-7.55

-6.39
14 yEEsI

1.9

-8.27

-6.37
15 yEEsP

2.52

-8.71

-6.19
16 sEMsI

2.38

-8.49

-6.11
17 sEDsI

1.94

-7.97

-6.03
18 yEEyP

2.2

-8.22

-6.02
19 GEEsI

1.72

-7.69

-5.97
20 yEDsD

3.09

-8.86

-5.77
21 yENsI

2.39

-8.02

-5.63
22 sEEsI

2.17

-7.69

-5.52
23 yEDyP

2.64

-8.08

-5.44
24 yEMsP

2.43

-7.7

-5.27
25 yEEsD

2.89

-7.98

-5.09
26 sEDsP

2.18

-7.14

-4.96
27 yEssI

1.95

-6.06

-4.11
28 yEEyI

2.6

-6.63

-4.03
29 yEssP

2.39

-5.74

-3.35
30 yEMsI

2.53

-4.91

-2.38

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER