Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_1ZUU-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 10.889 ΔGbinding 0.196
TOTAL
 11.085
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.465
Van der Waals -3.342 Backbone clash 0.011
Electrostatics -0.345 Helix dipole 0.000
Solvation Polar 4.462 Water bridges -0.020
Solvation Hyd -4.418 Disulfide 0.000
VdW clashes 3.610 Electrost. Kon -0.469
Entropy sc 0.807 Part.cov.bonds 0.000
Entropy mc

2.496

 ΔGstability

85.744
       

Predicted ligand sequences for model [SLA1-D1_1ZUU-23.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-D1_1ZUU-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRMPRK 0.0
2 RRRMPRD 0.03
3 RRRGPRK 0.07
4 RRKMPRK 0.08
5 RRKMPRD 0.1
6 RRRGPRD 0.1
7 RRRMPRI 0.12
8 RRKGPRK 0.15
9 RRKGPRD 0.17
10 RRRGPRI 0.19
11 RRKMPRI 0.2
12 RRRRPRK 0.27
13 RRKGPRI 0.27
14 RKRMPRK 0.28
15 RRRRPRD 0.3
16 RKRMPRD 0.31
17 RRKRPRK 0.35
18 RKRGPRK 0.35
19 RKKMPRK 0.36
20 RKKMPRD 0.38
21 RRKRPRD 0.38
22 RKRGPRD 0.38
23 RRRRPRI 0.39
24 RKRMPRI 0.4
25 RRRMERK 0.41
26 RKKGPRK 0.43
27 RRRMERD 0.43
28 RRRMKRK 0.45
29 RKKGPRD 0.46
30 RRKRPRI 0.47
31 RRRMKRD 0.47
32 RKRGPRI 0.47
33 RKKMPRI 0.48
34 RRRGERK 0.48
35 RRKMERK 0.48
36 RWRMPRK 0.49
37 RRRGERD 0.5
38 RRKMERD 0.51
39 RRRGKRK 0.52
40 RRKMKRK 0.52
41 RWRMPRD 0.52
42 RRRMERI 0.53
43 RRRGKRD 0.54
44 RKKGPRI 0.55
45 RKRRPRK 0.55
46 RRKGERK 0.55
47 RRKMKRD 0.55
48 RWRGPRK 0.56
49 RWKMPRK 0.57
50 RRRMKRI 0.57
51 RKRRPRD 0.58
52 RRKGERD 0.58
53 RWKMPRD 0.59
54 RRKGKRK 0.59
55 RWRGPRD 0.59
56 RRRGERI 0.6
57 RRKMERI 0.6
58 RWRMPRI 0.61
59 RRKGKRD 0.62
60 RKKRPRK 0.63
61 RWKGPRK 0.64
62 RRRGKRI 0.64
63 RRKMKRI 0.64
64 RKKRPRD 0.66
65 RKRRPRI 0.67
66 RWKGPRD 0.67
67 RRKGERI 0.67
68 RRRRERK 0.68
69 RWRGPRI 0.68
70 RWKMPRI 0.69
71 RKRMERK 0.69
72 RKRMERD 0.71
73 RRKGKRI 0.71
74 RRRRERD 0.71
75 RRRRKRK 0.72
76 RKRMKRK 0.73
77 RRKRERK 0.75
78 RKKRPRI 0.75
79 RKRMKRD 0.75
80 RRRRKRD 0.75
81 RWKGPRI 0.76
82 RKRGERK 0.76
83 RWRRPRK 0.76
84 RKKMERK 0.76
85 RRKRERD 0.78
86 RKRGERD 0.78
87 RWRRPRD 0.79
88 RRKRKRK 0.79
89 RKKMERD 0.79
90 RKKMKRK 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRMPRD

10.29

-5.62

4.67
2 RRRGPRI

9.14

-4.28

4.86
3 RRKMPRD

10.76

-5.86

4.9
4 RKKGPRD

9.47

-3.55

5.92
5 RRKGPRK

10.76

-4.74

6.02
6 RRKGPRD

9.88

-3.77

6.11
7 RRRGPRK

10.56

-4.36

6.2
8 RRKMPRK

11.52

-5.17

6.35
9 RKRMPRD

10.6

-4.14

6.46
10 RRKGPRI

10.2

-3.69

6.51
11 RRRMKRK

10.93

-4.27

6.66
12 RRRGPRD

10.03

-3.29

6.74
13 RRRMPRI

10.45

-3.57

6.88
14 RKRGPRK

11.0

-4.11

6.89
15 RRKRPRK

13.17

-6.17

7.0
16 RKRMPRI

11.11

-4.1

7.01
17 RKRGPRD

10.34

-3.32

7.02
18 RKKMPRK

10.66

-3.51

7.15
19 RRRMERD

11.33

-4.17

7.16
20 RKKMPRD

10.67

-3.48

7.19
21 RRRRPRK

12.9

-5.45

7.45
22 RKKGPRK

10.15

-2.59

7.56
23 RRRMERK

11.16

-3.57

7.59
24 RKRMPRK

12.15

-4.3

7.85
25 RRRMPRK

12.67

-4.68

7.99
26 RRRRPRI

11.79

-3.65

8.14
27 RRKRPRD

12.09

-3.82

8.27
28 RRKRPRI

13.7

-5.33

8.37
29 RRKMPRI

11.7

-3.19

8.51
30 RRRRPRD

13.5

-4.45

9.05

 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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