Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-19.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
G
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 4.197 ΔGbinding -0.602
TOTAL
 3.595
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.111
Van der Waals -4.504 Backbone clash 0.068
Electrostatics 0.258 Helix dipole 0.000
Solvation Polar 4.710 Water bridges 0.000
Solvation Hyd -6.572 Disulfide 0.000
VdW clashes 1.256 Electrost. Kon 0.398
Entropy sc 0.549 Part.cov.bonds 0.000
Entropy mc

4.468

 ΔGstability

52.504
       

Predicted ligand sequences for model [BUD14_1SEM-19.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).
 
  BUD14_1SEM-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRIFFGYRF 0.0
2 IRIFFGYRF 0.0
3 IRYFFGYRF 0.04
4 MRFFFGYRF 0.04
5 MRYFFGYRF 0.04
6 IRFFFGYRF 0.04
7 MRVFFGYRF 0.11
8 IRVFFGYRF 0.11
9 IRWFFGYRF 0.16
10 MRWFFGYRF 0.16
11 IRIFFGYRI 0.27
12 MRIFFGYRI 0.27
13 IRYFFGYRI 0.31
14 MRYFFGYRI 0.31
15 IRFFFGYRI 0.31
16 MRFFFGYRI 0.31
17 MRVFFGYRI 0.38
18 IRVFFGYRI 0.38
19 IRIFFGYRM 0.41
20 MRIFFGYRM 0.41
21 IRWFFGYRI 0.43
22 MRWFFGYRI 0.43
23 IRYFFGYRM 0.45
24 IRFFFGYRM 0.45
25 MRYFFGYRM 0.45
26 MRFFFGYRM 0.46
27 MRIFLGYRF 0.52
28 IRIFLGYRF 0.52
29 VRIFFGYRF 0.52
30 MRVFFGYRM 0.53
31 IRVFFGYRM 0.53
32 MRYFLGYRF 0.56
33 VRYFFGYRF 0.56
34 VRFFFGYRF 0.56
35 IRFFLGYRF 0.56
36 MRFFLGYRF 0.56
37 IRYFLGYRF 0.56
38 IRWFFGYRM 0.58
39 MRWFFGYRM 0.58
40 IRVFLGYRF 0.63
41 MRVFLGYRF 0.63
42 VRVFFGYRF 0.64
43 IRWFLGYRF 0.68
44 MRWFLGYRF 0.68
45 VRWFFGYRF 0.69
46 MRIFLGYRI 0.78
47 IRIFLGYRI 0.78
48 VRIFFGYRI 0.79
49 MRYFLGYRI 0.82
50 IRYFLGYRI 0.82
51 VRYFFGYRI 0.83
52 VRFFFGYRI 0.83
53 IRFFLGYRI 0.83
54 MRFFLGYRI 0.83
55 VRVFFGYRI 0.9
56 IRVFLGYRI 0.9
57 MRVFLGYRI 0.9
58 MRIFLGYRM 0.93
59 IRIFLGYRM 0.93
60 VRIFFGYRM 0.93
61 IRWFLGYRI 0.95
62 MRWFLGYRI 0.95
63 VRWFFGYRI 0.95
64 MRYFLGYRM 0.97
65 VRYFFGYRM 0.97
66 IRYFLGYRM 0.97
67 IRFFLGYRM 0.97
68 MRFFLGYRM 0.97
69 VRFFFGYRM 0.98
70 VRIFLGYRF 1.04
71 IRVFLGYRM 1.04
72 MRVFLGYRM 1.04
73 VRVFFGYRM 1.05
74 VRFFLGYRF 1.08
75 VRYFLGYRF 1.08
76 IRWFLGYRM 1.09
77 MRWFLGYRM 1.09
78 VRWFFGYRM 1.1
79 VRVFLGYRF 1.15
80 VRWFLGYRF 1.2
81 VRIFLGYRI 1.3
82 VRYFLGYRI 1.34
83 VRFFLGYRI 1.35
84 VRVFLGYRI 1.42
85 VRIFLGYRM 1.45
86 VRWFLGYRI 1.47
87 VRFFLGYRM 1.49
88 VRYFLGYRM 1.49
89 VRVFLGYRM 1.56
90 VRWFLGYRM 1.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRIFLGYRF

2.71

-9.0

-6.29
2 MRFFFGYRM

2.82

-8.37

-5.55
3 IRFFFGYRF

2.53

-7.99

-5.46
4 IRYFFGYRM

2.53

-7.93

-5.4
5 IRIFFGYRM

3.34

-8.53

-5.19
6 VRIFFGYRF

2.9

-8.07

-5.17
7 IRIFFGYRF

2.67

-7.83

-5.16
8 IRYFFGYRF

2.76

-7.92

-5.16
9 IRVFFGYRF

2.81

-7.89

-5.08
10 IRIFLGYRF

2.92

-7.66

-4.74
11 MRYFFGYRM

3.38

-7.94

-4.56
12 IRWFFGYRF

2.77

-7.32

-4.55
13 IRFFFGYRM

3.3

-7.85

-4.55
14 MRFFFGYRF

3.26

-7.7

-4.44
15 MRFFFGYRI

3.12

-7.51

-4.39
16 IRYFFGYRI

2.93

-7.18

-4.25
17 MRVFFGYRM

2.97

-7.07

-4.1
18 IRIFFGYRI

3.11

-7.14

-4.03
19 IRWFFGYRI

2.92

-6.93

-4.01
20 MRVFFGYRF

3.25

-7.18

-3.93
21 MRVFFGYRI

3.66

-7.53

-3.87
22 IRVFFGYRI

3.32

-7.05

-3.73
23 MRWFFGYRF

3.58

-7.28

-3.7
24 MRIFFGYRF

3.96

-7.59

-3.63
25 IRFFFGYRI

3.88

-6.66

-2.78
26 MRYFFGYRF

5.01

-7.44

-2.43
27 MRIFFGYRI

4.23

-6.5

-2.27
28 MRYFFGYRI

4.07

-6.26

-2.19
29 MRWFFGYRI

4.45

-6.49

-2.04
30 MRIFFGYRM

4.95

-6.03

-1.08

 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