Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-4.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    

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Intraclash 5.174 ΔGbinding -2.305
TOTAL
 2.869
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.829
Van der Waals -4.932 Backbone clash 0.057
Electrostatics -0.210 Helix dipole 0.000
Solvation Polar 5.833 Water bridges -0.220
Solvation Hyd -7.417 Disulfide 0.000
VdW clashes 3.951 Electrost. Kon -0.313
Entropy sc 0.975 Part.cov.bonds 0.000
Entropy mc

2.250

 ΔGstability

21.727
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-4.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-D3_1Z9Z-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRNRRRRR 0.0
2 RRPRKRRRRR 0.01
3 RRPRRRRRRR 0.06
4 RRPRNRKRRR 0.18
5 RRPRKRKRRR 0.19
6 RRPRNRRRRH 0.19
7 RRPRKRRRRH 0.2
8 RRPRNRRRRY 0.2
9 RRPRKRRRRY 0.21
10 RRPRRRKRRR 0.24
11 RRPRRRRRRH 0.25
12 RRPRNRPRRR 0.26
13 RRPRKRPRRR 0.26
14 RRPRRRRRRY 0.26
15 RRRRNRRRRR 0.27
16 RRRRKRRRRR 0.27
17 RRPRRRPRRR 0.32
18 RRKRNRRRRR 0.33
19 RRPRNPRRRR 0.33
20 RRRRRRRRRR 0.33
21 RRPRKPRRRR 0.34
22 RRKRKRRRRR 0.34
23 RRPRKRKRRH 0.38
24 RRPRNRKRRH 0.38
25 RRPRNRKRRY 0.38
26 RRPRKRKRRY 0.39
27 RRPRRPRRRR 0.39
28 RRKRRRRRRR 0.39
29 RKPRKRRRRR 0.42
30 RKPRNRRRRR 0.42
31 RRPRRRKRRY 0.44
32 RRPRRRKRRH 0.44
33 RRRRNRKRRR 0.45
34 RRPRNRPRRH 0.45
35 RRPRNRPRRY 0.46
36 RRRRNRRRRH 0.46
37 RRPRKRPRRH 0.46
38 RRRRKRKRRR 0.46
39 RRPRKRPRRY 0.46
40 RRRRNRRRRY 0.47
41 RRRRKRRRRY 0.47
42 RRRRKRRRRH 0.47
43 RKPRRRRRRR 0.48
44 RRPRNSRRRR 0.5
45 RRPRKSRRRR 0.5
46 RRPRRRPRRH 0.51
47 RRRRRRKRRR 0.51
48 RRPRRRPRRY 0.52
49 RRKRKRKRRR 0.52
50 RRKRNRKRRR 0.52
51 RRPRKPKRRR 0.52
52 RRRRRRRRRH 0.52
53 RRPRNPKRRR 0.52
54 RRRRNRPRRR 0.52
55 RRPRKPRRRH 0.53
56 RRKRNRRRRY 0.53
57 RRKRNRRRRH 0.53
58 RRRRKRPRRR 0.53
59 RRPRNPRRRH 0.53
60 RRKRKRRRRH 0.53
61 RRRRRRRRRY 0.53
62 RRPRKPRRRY 0.54
63 RRPRNPRRRY 0.54
64 RRKRKRRRRY 0.54
65 RRPRRSRRRR 0.55
66 RRKRRRKRRR 0.57
67 RRRRRRPRRR 0.58
68 RRKRRRRRRH 0.58
69 RRPRRPKRRR 0.58
70 RRKRKRPRRR 0.59
71 RRKRNRPRRR 0.59
72 RRPRNPPRRR 0.59
73 RRPRRPRRRH 0.59
74 RRPRRPRRRY 0.59
75 RRKRRRRRRY 0.59
76 RRPRKPPRRR 0.6
77 RKPRNRKRRR 0.6
78 RRRRNPRRRR 0.6
79 RKPRKRKRRR 0.61
80 RRRRKPRRRR 0.61
81 RKPRNRRRRH 0.61
82 RKPRKRRRRH 0.62
83 RKPRKRRRRY 0.62
84 RKPRNRRRRY 0.62
85 RRRRNRKRRH 0.64
86 RRPRRPPRRR 0.65
87 RRRRNRKRRY 0.65
88 RRKRRRPRRR 0.65
89 RRRRKRKRRH 0.65
90 RRRRRPRRRR 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRRRRRRY

4.42

-15.94

-11.52
2 RRPRKPRRRR

5.13

-16.03

-10.9
3 RRRRRRRRRR

6.59

-16.54

-9.95
4 RRPRRPRRRR

4.21

-13.83

-9.62
5 RRRRNRRRRR

4.81

-14.12

-9.31
6 RRPRNPRRRR

4.6

-13.48

-8.88
7 RRKRKRRRRR

4.13

-12.33

-8.2
8 RRPRNRRRRR

4.08

-12.26

-8.18
9 RRPRKRRRRR

5.58

-13.75

-8.17
10 RRRRKRRRRR

4.73

-12.53

-7.8
11 RRKRRRRRRR

4.44

-12.03

-7.59
12 RRPRKRRRRY

4.94

-12.23

-7.29
13 RRPRRRRRRR

5.17

-12.3

-7.13
14 RRPRNRPRRR

4.67

-11.68

-7.01
15 RRKRNRRRRR

4.49

-11.38

-6.89
16 RKPRKRRRRR

4.61

-11.36

-6.75
17 RRPRKRRRRH

5.05

-11.57

-6.52
18 RRPRNRRRRY

4.61

-11.12

-6.51
19 RRPRKRPRRR

4.22

-10.64

-6.42
20 RRPRNRKRRR

3.58

-9.85

-6.27
21 RRPRNRKRRH

5.64

-11.73

-6.09
22 RRPRNRRRRH

5.69

-11.77

-6.08
23 RRPRRRRRRH

5.4

-10.72

-5.32
24 RRPRRRKRRR

4.44

-9.72

-5.28
25 RRPRRRPRRR

5.15

-10.21

-5.06
26 RKPRNRRRRR

4.6

-9.65

-5.05
27 RRPRKRKRRY

5.21

-9.28

-4.07
28 RRPRKRKRRH

4.44

-8.07

-3.63
29 RRPRNRKRRY

6.29

-9.89

-3.6
30 RRPRKRKRRR

5.17

-8.39

-3.22

 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.

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