Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-26.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
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    

(Help)

Intraclash 3.298 ΔGbinding -1.505
TOTAL
 1.793
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.468
Van der Waals -3.886 Backbone clash 0.016
Electrostatics -0.229 Helix dipole 0.000
Solvation Polar 4.268 Water bridges 0.000
Solvation Hyd -5.444 Disulfide 0.000
VdW clashes 0.470 Electrost. Kon -0.249
Entropy sc 0.467 Part.cov.bonds 0.000
Entropy mc

2.631

 ΔGstability

71.176
       

Predicted ligand sequences for model [SDC25_1OV32-26.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).
 
  SDC25_1OV32-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DEIDRDRPD 0.0
2 DDIDRDRPD 0.01
3 DEIDKDRPD 0.03
4 DDIDKDRPD 0.03
5 DEIPRDRPD 0.03
6 DDIDRDRDD 0.04
7 DEIDPDRPD 0.04
8 DEIDRDRDD 0.04
9 DDIPRDRPD 0.04
10 DDIDPDRPD 0.04
11 DDIPKDRPD 0.06
12 DEIDKDRDD 0.06
13 DEIPKDRPD 0.06
14 DEIFRDRPD 0.07
15 DEIPPDRPD 0.07
16 DEIPRDRDD 0.07
17 DDIPRDRDD 0.07
18 DEIDPDRDD 0.07
19 DDIDKDRDD 0.07
20 DDIPPDRPD 0.07
21 DRIDRDRPD 0.07
22 DDIDPDRDD 0.08
23 DDIFRDRPD 0.08
24 DEIPKDRDD 0.09
25 DEIPPDRDD 0.1
26 DEIFKDRPD 0.1
27 DRIDKDRPD 0.1
28 DRIPRDRPD 0.1
29 DDIPKDRDD 0.1
30 DDIFRDRDD 0.11
31 DRIDPDRPD 0.11
32 DRIDRDRDD 0.11
33 DDIPPDRDD 0.11
34 DDIFPDRPD 0.11
35 DEIFPDRPD 0.11
36 DEIDRDRED 0.11
37 DDIFKDRPD 0.11
38 DEIFRDRDD 0.11
39 DDIDRDRED 0.12
40 DRIDKDRDD 0.13
41 DRIPKDRPD 0.13
42 DRIPRDRDD 0.14
43 DEIFPDRDD 0.14
44 DEIPRDRED 0.14
45 DRIDPDRDD 0.14
46 DEIDKDRED 0.14
47 DDIFKDRDD 0.14
48 DRIFRDRPD 0.14
49 DEIDPDRED 0.14
50 DDIDKDRED 0.14
51 DRIPPDRPD 0.14
52 DEIFKDRDD 0.14
53 DDIDPDRED 0.15
54 DDIFPDRDD 0.15
55 DDIPRDRED 0.15
56 DRIPKDRDD 0.16
57 DRIPPDRDD 0.17
58 DEIPKDRED 0.17
59 DDIPKDRED 0.17
60 DRIFKDRPD 0.17
61 DEIFRDRED 0.18
62 DEIPPDRED 0.18
63 DRIDRDRED 0.18
64 DDIPPDRED 0.18
65 DRIFPDRPD 0.18
66 DRIFRDRDD 0.18
67 DDIFRDRED 0.19
68 DRIFKDRDD 0.21
69 DRIDKDRED 0.21
70 DDIFKDRED 0.21
71 DEIFKDRED 0.21
72 DRIPRDRED 0.21
73 DDIFPDRED 0.22
74 DRIFPDRDD 0.22
75 DEIFPDRED 0.22
76 DRIDPDRED 0.22
77 DRIPKDRED 0.24
78 DRIPPDRED 0.25
79 DRIFRDRED 0.25
80 DRIFKDRED 0.28
81 DRIFPDRED 0.29
82 DEIDRIRPD 0.34
83 DDIDRIRPD 0.35
84 SEIDRDRPD 0.35
85 SDIDRDRPD 0.35
86 DEMDRDRPD 0.36
87 DDMDRDRPD 0.36
88 DEIDKIRPD 0.37
89 SDIDKDRPD 0.38
90 SEIPRDRPD 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRIPRDRPD

3.47

-5.9

-2.43
2 DEIPRDRPD

4.7

-6.5

-1.8
3 DEIPKDRPD

4.82

-6.57

-1.75
4 DDIPRDRPD

3.53

-5.25

-1.72
5 DDIPKDRPD

3.73

-5.28

-1.55
6 DEIPPDRDD

3.4

-4.94

-1.54
7 DEIPPDRPD

3.91

-5.39

-1.48
8 DEIPKDRDD

3.46

-4.91

-1.45
9 DEIDKDRPD

4.41

-5.76

-1.35
10 DEIFKDRPD

4.85

-6.15

-1.3
11 DDIPPDRPD

3.46

-4.7

-1.24
12 DDIFRDRDD

3.43

-4.67

-1.24
13 DDIDRDRPD

4.55

-5.69

-1.14
14 DDIPRDRDD

3.39

-4.51

-1.12
15 DRIDRDRPD

4.32

-5.34

-1.02
16 DRIDKDRPD

4.59

-5.49

-0.9
17 DDIDKDRPD

4.53

-5.3

-0.77
18 DEIPRDRDD

3.72

-4.48

-0.76
19 DDIPKDRDD

3.46

-4.03

-0.57
20 DDIDKDRDD

4.65

-5.13

-0.48
21 DEIDRDRDD

4.28

-4.75

-0.47
22 DEIDKDRDD

4.36

-4.77

-0.41
23 DEIFRDRPD

3.77

-4.11

-0.34
24 DDIDPDRPD

4.17

-4.3

-0.13
25 DEIDPDRDD

3.57

-3.66

-0.09
26 DEIDRDRPD

4.42

-4.44

-0.02
27 DEIDPDRPD

3.79

-3.67

0.12
28 DDIFRDRPD

3.49

-3.36

0.13
29 DDIDRDRDD

4.55

-4.36

0.19
30 DDIDPDRDD

4.06

-3.72

0.34

 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