Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 0.993 ΔGbinding -2.547
TOTAL
 -1.554
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.525
Van der Waals -3.657 Backbone clash 0.247
Electrostatics 0.018 Helix dipole 0.000
Solvation Polar 3.412 Water bridges -0.021
Solvation Hyd -5.378 Disulfide 0.000
VdW clashes 0.065 Electrost. Kon -0.008
Entropy sc 0.417 Part.cov.bonds 0.000
Entropy mc

2.081

 ΔGstability

41.692
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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).
 
  SLA1-D3_UJ0-CSK-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRKRRPPK 0.0
2 RRRKKRPPK 0.04
3 RKRKRRPPK 0.05
4 RRRPRRPPK 0.07
5 RRRKRRPRK 0.08
6 RERKRRPPK 0.08
7 RRRRRRPPK 0.08
8 RKRKKRPPK 0.09
9 RRRPKRPPK 0.11
10 RKRPRRPPK 0.12
11 RERKKRPPK 0.12
12 RRRRKRPPK 0.12
13 RRRKKRPRK 0.12
14 RRRKHRPPK 0.13
15 RKRRRRPPK 0.13
16 RKRKRRPRK 0.14
17 RERPRRPPK 0.15
18 RERRRRPPK 0.16
19 RKRPKRPPK 0.16
20 RRRPRRPRK 0.16
21 RKRRKRPPK 0.17
22 RERKRRPRK 0.17
23 RKRKKRPRK 0.17
24 RRRRRRPRK 0.17
25 RKRKHRPPK 0.18
26 RRMKRRPPK 0.18
27 RRRKRRPPR 0.19
28 RRRPKRPRK 0.19
29 RERPKRPPK 0.19
30 RERKKRPRK 0.2
31 RRRRKRPRK 0.2
32 RRRPHRPPK 0.2
33 RERRKRPPK 0.2
34 RERKHRPPK 0.21
35 RRMKKRPPK 0.21
36 RKRPRRPRK 0.21
37 RRRKHRPRK 0.21
38 RRRRHRPPK 0.21
39 RKRRRRPRK 0.22
40 RRRKKRPPR 0.22
41 RKMKRRPPK 0.23
42 RRKKRRPPK 0.23
43 RERPRRPRK 0.24
44 RKRPKRPRK 0.24
45 RKRKRRPPR 0.24
46 RKRPHRPPK 0.25
47 RKRRKRPRK 0.25
48 RERRRRPRK 0.25
49 RRMPRRPPK 0.25
50 REMKRRPPK 0.26
51 RRKKKRPPK 0.26
52 RRRPRRPPR 0.26
53 RKRKHRPRK 0.26
54 RKRRHRPPK 0.26
55 RRMRRRPPK 0.26
56 RRMKRRPRK 0.26
57 RERPKRPRK 0.27
58 RRRKRRPRR 0.27
59 RKMKKRPPK 0.27
60 RERKRRPPR 0.27
61 RRRRRRPPR 0.27
62 RKRKKRPPR 0.27
63 RRRPHRPRK 0.28
64 RERRKRPRK 0.28
65 RERPHRPPK 0.28
66 RKKKRRPPK 0.28
67 RRRRHRPRK 0.29
68 RRMPKRPPK 0.29
69 RERKHRPRK 0.29
70 RERRHRPPK 0.29
71 REMKKRPPK 0.3
72 RERKKRPPR 0.3
73 RRMKKRPRK 0.3
74 RRRPKRPPR 0.3
75 RRKPRRPPK 0.3
76 RRMRKRPPK 0.3
77 RKMPRRPPK 0.3
78 RRRKHRPPR 0.31
79 RRMKHRPPK 0.31
80 REKKRRPPK 0.31
81 RKKKKRPPK 0.31
82 RRKKRRPRK 0.31
83 RKRPRRPPR 0.31
84 RRRRKRPPR 0.31
85 RRKRRRPPK 0.31
86 RKMRRRPPK 0.31
87 RRRKKRPRR 0.31
88 RKRKRRPRR 0.32
89 RKMKRRPRK 0.32
90 RKRRRRPPR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRPKRPRK

0.56

-10.91

-10.35
2 RKRPRRPPK

0.71

-10.83

-10.12
3 RRMKRRPPK

0.87

-10.73

-9.86
4 RRRPRRPPK

1.5

-11.21

-9.71
5 RERKKRPPK

0.72

-10.18

-9.46
6 RERPKRPPK

0.81

-10.24

-9.43
7 RKRKKRPPK

0.99

-10.34

-9.35
8 RERKRRPRK

0.95

-10.24

-9.29
9 RERPRRPPK

1.1

-10.26

-9.16
10 RKRPKRPPK

0.79

-9.95

-9.16
11 RKRKRRPPK

0.99

-10.13

-9.14
12 RRRRKRPPK

1.53

-10.66

-9.13
13 RERRRRPPK

1.19

-10.27

-9.08
14 RKRRRRPPK

1.09

-10.16

-9.07
15 RRRKRRPPR

1.08

-10.15

-9.07
16 RKRKHRPPK

0.88

-9.89

-9.01
17 RRRPKRPPK

0.85

-9.81

-8.96
18 RKRKRRPRK

0.94

-9.79

-8.85
19 RRRRRRPRK

0.97

-9.63

-8.66
20 RKRKKRPRK

0.94

-9.57

-8.63
21 RRRPRRPRK

1.35

-9.93

-8.58
22 RRRKRRPRK

1.11

-9.58

-8.47
23 RRRKHRPPK

1.43

-9.68

-8.25
24 RKRRKRPPK

1.03

-9.19

-8.16
25 RRRRRRPPK

1.02

-9.18

-8.16
26 RERKRRPPK

0.75

-8.91

-8.16
27 RRRKRRPPK

0.96

-9.04

-8.08
28 RERKKRPRK

0.88

-8.91

-8.03
29 RRRKKRPPK

1.21

-9.19

-7.98
30 RRRKKRPRK

0.83

-7.5

-6.67

 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