Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-1.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 5.012 ΔGbinding -5.077
TOTAL
 -0.065
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.221
Van der Waals -4.740 Backbone clash 0.140
Electrostatics -0.201 Helix dipole 0.000
Solvation Polar 5.273 Water bridges -0.051
Solvation Hyd -6.721 Disulfide 0.000
VdW clashes 0.224 Electrost. Kon -0.291
Entropy sc 0.926 Part.cov.bonds 0.000
Entropy mc

1.834

 ΔGstability

81.769
       

Predicted ligand sequences for model [SLA1-D2_1JO8-1.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_1JO8-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRWRPRKKY 0.0
2 RRKWRPRKKY 0.05
3 RRRWYPRKKY 0.06
4 RRSWRPRKKY 0.08
5 RRRWHPRKKY 0.1
6 RRRWRPRPKY 0.1
7 RRKWYPRKKY 0.11
8 HRRWRPRKKY 0.11
9 RRRWRPRDKY 0.12
10 RRRWRFRKKY 0.12
11 RRSWYPRKKY 0.14
12 RRKWHPRKKY 0.14
13 RRKWRPRPKY 0.15
14 HRKWRPRKKY 0.16
15 RRKWRFRKKY 0.16
16 RRRWYPRPKY 0.16
17 RRSWHPRKKY 0.17
18 RRKWRPRDKY 0.17
19 HRRWYPRKKY 0.17
20 RRRWYFRKKY 0.18
21 RRSWRPRPKY 0.18
22 RRRWYPRDKY 0.18
23 HRSWRPRKKY 0.19
24 RRSWRPRDKY 0.2
25 RRSWRFRKKY 0.2
26 RRRWHPRPKY 0.2
27 HRRWRPRPKY 0.21
28 RRKWYPRPKY 0.21
29 HRRWHPRKKY 0.21
30 RRRWRFRPKY 0.22
31 RRRWHPRDKY 0.22
32 HRKWYPRKKY 0.22
33 RRRWHFRKKY 0.22
34 RRKWYPRDKY 0.23
35 HRRWRPRDKY 0.23
36 RRKWYFRKKY 0.23
37 HRRWRFRKKY 0.23
38 RRRWRFRDKY 0.24
39 RRKWHPRPKY 0.24
40 RRSWYPRPKY 0.24
41 HRKWHPRKKY 0.25
42 HRSWYPRKKY 0.25
43 RRKWHFRKKY 0.26
44 RRKWRFRPKY 0.26
45 RRSWYPRDKY 0.26
46 HRKWRPRPKY 0.26
47 RRKWHPRDKY 0.26
48 IRRWRPRKKY 0.26
49 RRSWYFRKKY 0.26
50 HRRWYPRPKY 0.27
51 HRKWRFRKKY 0.27
52 RRKWRFRDKY 0.28
53 RRSWHPRPKY 0.28
54 RRRWRPRKKK 0.28
55 RRRWYFRPKY 0.28
56 HRKWRPRDKY 0.28
57 RRSWHFRKKY 0.29
58 RRSWHPRDKY 0.29
59 HRRWYPRDKY 0.29
60 HRSWHPRKKY 0.29
61 HRSWRPRPKY 0.29
62 HRRWYFRKKY 0.29
63 HRSWRFRKKY 0.3
64 RRSWRFRPKY 0.3
65 RRRWYFRDKY 0.3
66 HRSWRPRDKY 0.31
67 HRRWHPRPKY 0.31
68 IRKWRPRKKY 0.31
69 RRRWHFRPKY 0.32
70 HRKWYPRPKY 0.32
71 RRSWRFRDKY 0.32
72 RRKWRPRKKK 0.32
73 HRRWRFRPKY 0.33
74 HRRWHFRKKY 0.33
75 IRRWYPRKKY 0.33
76 RRKWYFRPKY 0.33
77 HRRWHPRDKY 0.33
78 RRRWYPRKKK 0.34
79 HRKWYFRKKY 0.34
80 RRRWHFRDKY 0.34
81 HRKWYPRDKY 0.34
82 IRSWRPRKKY 0.34
83 RRRWRPRKKH 0.35
84 RRSWRPRKKK 0.35
85 HRRWRFRDKY 0.35
86 RRKWYFRDKY 0.35
87 HRKWHPRPKY 0.35
88 HRSWYPRPKY 0.35
89 RRRWRRRKKY 0.36
90 IRRWHPRKKY 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRKWRPRDKY

3.92

-14.72

-10.8
2 RRKWHPRKKY

3.69

-13.29

-9.6
3 RRSWRPRDKY

4.45

-13.96

-9.51
4 RRKWYPRKKY

4.17

-13.39

-9.22
5 RRSWRPRPKY

5.11

-14.25

-9.14
6 RRRWRPRPKY

4.28

-12.92

-8.64
7 RRRWHPRKKY

3.98

-12.32

-8.34
8 RRRWYPRDKY

4.72

-13.01

-8.29
9 HRRWRPRPKY

5.36

-13.52

-8.16
10 RRRWHPRPKY

3.83

-11.9

-8.07
11 HRRWHPRKKY

4.34

-12.39

-8.05
12 RRSWRFRKKY

6.14

-14.04

-7.9
13 RRRWRPRDKY

5.8

-13.49

-7.69
14 RRSWRPRKKY

3.96

-11.25

-7.29
15 RRRWYFRKKY

5.64

-12.84

-7.2
16 RRKWYPRPKY

4.63

-11.7

-7.07
17 RRKWRPRPKY

5.31

-12.19

-6.88
18 HRKWRPRKKY

7.6

-14.23

-6.63
19 RRKWRFRKKY

5.72

-12.23

-6.51
20 RRSWHPRKKY

6.47

-12.6

-6.13
21 RRRWRFRKKY

6.15

-11.55

-5.4
22 RRSWYPRKKY

4.81

-10.2

-5.39
23 HRSWRPRKKY

7.2

-12.45

-5.25
24 RRKWRPRKKY

7.53

-12.75

-5.22
25 RRRWYPRPKY

5.83

-10.93

-5.1
26 HRRWRPRKKY

7.28

-12.23

-4.95
27 RRRWYPRKKY

5.8

-10.6

-4.8
28 RRRWRFRPKY

8.85

-12.94

-4.09
29 RRRWRPRKKY

8.34

-10.22

-1.88
30 HRRWYPRKKY

9.05

-10.57

-1.52

 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