Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-28.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 10
poly-Ala
A
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 4.268 ΔGbinding 1.066
TOTAL
 5.334
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.446
Van der Waals -5.672 Backbone clash 0.150
Electrostatics 0.593 Helix dipole 0.000
Solvation Polar 7.278 Water bridges 0.031
Solvation Hyd -7.678 Disulfide 0.000
VdW clashes 3.518 Electrost. Kon 0.539
Entropy sc 0.952 Part.cov.bonds 0.000
Entropy mc

3.609

 ΔGstability

91.380
       

Predicted ligand sequences for model [SLA1-D2_1JO8-28.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).
 
  SLA1-D2_1JO8-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRFRRRSR 0.0
2 RRPRFRRKSR 0.02
3 RRPRFKRRSR 0.1
4 RRRRFRRRSR 0.11
5 RRKRFRRRSR 0.11
6 RRPRFKRKSR 0.12
7 RRKRFRRKSR 0.13
8 RRRRFRRKSR 0.13
9 RRRRFKRRSR 0.21
10 RRKRFKRRSR 0.22
11 RRPRHRRRSR 0.22
12 RRRRFKRKSR 0.23
13 RRPRHRRKSR 0.24
14 RRKRFKRKSR 0.24
15 RRPRFPRRSR 0.28
16 RRPRFPRKSR 0.3
17 RRPRFRRPSR 0.3
18 RRPRHKRRSR 0.32
19 RRKRHRRRSR 0.33
20 RRRRHRRRSR 0.33
21 RRPRHKRKSR 0.34
22 RRRRHRRKSR 0.35
23 RRKRHRRKSR 0.35
24 RRRRFPRRSR 0.4
25 RRPRFKRPSR 0.4
26 RRKRFPRRSR 0.4
27 RRRRFRRPSR 0.41
28 RRKRFRRPSR 0.41
29 RRKRFPRKSR 0.42
30 RRRRFPRKSR 0.42
31 RRRRHKRRSR 0.43
32 RRKRHKRRSR 0.44
33 RRKRHKRKSR 0.46
34 RPPRFRRRSR 0.46
35 RRRRHKRKSR 0.46
36 RPPRFRRKSR 0.48
37 RRRRFKRPSR 0.51
38 RRPRHPRRSR 0.51
39 RRKRFKRPSR 0.52
40 RRPRHRRPSR 0.52
41 RRPRHPRKSR 0.53
42 RPPRFKRRSR 0.56
43 RPKRFRRRSR 0.57
44 RPRRFRRRSR 0.57
45 RRPRFPRPSR 0.58
46 RPPRFKRKSR 0.58
47 RPRRFRRKSR 0.59
48 RPKRFRRKSR 0.59
49 RRRRHPRRSR 0.62
50 RRKRHPRRSR 0.62
51 RRPRHKRPSR 0.62
52 RRKRHRRPSR 0.63
53 RRRRHRRPSR 0.63
54 RRKRHPRKSR 0.64
55 RRRRHPRKSR 0.64
56 RPKRFKRRSR 0.67
57 RPRRFKRRSR 0.67
58 RPPRHRRRSR 0.68
59 RRRRFPRPSR 0.69
60 RPKRFKRKSR 0.69
61 RPRRFKRKSR 0.69
62 RRKRFPRPSR 0.7
63 RPPRHRRKSR 0.7
64 RRKRHKRPSR 0.73
65 RRRRHKRPSR 0.73
66 RPPRFPRRSR 0.74
67 RPPRFRRPSR 0.75
68 RPPRFPRKSR 0.76
69 RPPRHKRRSR 0.78
70 RPRRHRRRSR 0.79
71 RPKRHRRRSR 0.79
72 RPPRHKRKSR 0.8
73 RRPRHPRPSR 0.8
74 RPKRHRRKSR 0.81
75 RPRRHRRKSR 0.81
76 RPKRFPRRSR 0.85
77 RPRRFPRRSR 0.85
78 RPPRFKRPSR 0.86
79 RPRRFRRPSR 0.86
80 RPRRFPRKSR 0.87
81 RPKRFPRKSR 0.87
82 RPKRFRRPSR 0.87
83 RPKRHKRRSR 0.89
84 RPRRHKRRSR 0.89
85 RPKRHKRKSR 0.91
86 RPRRHKRKSR 0.91
87 RRRRHPRPSR 0.91
88 RRKRHPRPSR 0.92
89 RPPRHPRRSR 0.96
90 RPPRHRRPSR 0.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKRHRRRSR

5.08

-18.47

-13.39
2 RRKRHRRKSR

5.29

-18.33

-13.04
3 RRPRHKRRSR

3.68

-16.2

-12.52
4 RRPRHRRRSR

4.68

-17.0

-12.32
5 RRPRHRRKSR

4.55

-16.46

-11.91
6 RRPRFKRKSR

3.74

-15.0

-11.26
7 RRPRFPRRSR

4.13

-15.32

-11.19
8 RRRRHRRKSR

4.74

-15.79

-11.05
9 RRRRFKRRSR

4.21

-15.0

-10.79
10 RRRRFRRPSR

5.56

-16.34

-10.78
11 RRRRHRRRSR

5.87

-16.38

-10.51
12 RRPRHKRKSR

4.62

-14.98

-10.36
13 RRKRFRRRSR

4.58

-14.93

-10.35
14 RRRRFPRRSR

4.26

-14.58

-10.32
15 RRRRFRRKSR

4.58

-14.9

-10.32
16 RRPRFKRRSR

3.67

-13.79

-10.12
17 RRKRFKRRSR

3.36

-13.43

-10.07
18 RRPRFKRPSR

4.41

-14.35

-9.94
19 RRRRFRRRSR

4.39

-14.15

-9.76
20 RRPRFRRRSR

4.16

-13.92

-9.76
21 RRKRFPRRSR

3.85

-13.29

-9.44
22 RRKRFRRKSR

5.13

-14.38

-9.25
23 RRKRFPRKSR

4.21

-13.21

-9.0
24 RRPRFRRKSR

4.46

-13.3

-8.84
25 RRKRFKRKSR

4.25

-12.96

-8.71
26 RRPRFPRKSR

3.23

-11.66

-8.43
27 RRRRFKRKSR

4.35

-12.74

-8.39
28 RRKRFRRPSR

5.03

-13.39

-8.36
29 RRRRFPRKSR

3.21

-11.24

-8.03
30 RRPRFRRPSR

3.75

-11.66

-7.91

 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