Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-17.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
G
 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 1.435 ΔGbinding -0.785
TOTAL
 0.650
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.231
Van der Waals -4.566 Backbone clash 0.038
Electrostatics 0.202 Helix dipole 0.000
Solvation Polar 4.721 Water bridges 0.012
Solvation Hyd -6.663 Disulfide 0.000
VdW clashes 2.264 Electrost. Kon 0.171
Entropy sc 0.579 Part.cov.bonds 0.000
Entropy mc

3.540

 ΔGstability

15.550
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFMRGRRI 0.0
2 RRWMRGRRI 0.02
3 RKFMRGRRI 0.06
4 RRFMRGRRF 0.07
5 REFMRGRRI 0.07
6 RKWMRGRRI 0.08
7 RRWMRGRRF 0.09
8 REWMRGRRI 0.09
9 RRFMRGRHI 0.11
10 RRYMRGRRI 0.12
11 RRWMRGRHI 0.13
12 RKFMRGRRF 0.13
13 YRFMRGRRI 0.14
14 REFMRGRRF 0.14
15 RKWMRGRRF 0.15
16 REWMRGRRF 0.16
17 YRWMRGRRI 0.16
18 RKFMRGRHI 0.17
19 RKYMRGRRI 0.17
20 RRYMRGRRF 0.18
21 REFMRGRHI 0.18
22 RRFMRGRHF 0.18
23 YKFMRGRRI 0.19
24 RKWMRGRHI 0.19
25 REYMRGRRI 0.19
26 YRFMRGRRF 0.2
27 RRWMRGRHF 0.2
28 YEFMRGRRI 0.21
29 REWMRGRHI 0.21
30 YKWMRGRRI 0.21
31 YRWMRGRRF 0.22
32 RRYMRGRHI 0.23
33 YEWMRGRRI 0.23
34 RKFMRGRHF 0.24
35 RKYMRGRRF 0.24
36 YRFMRGRHI 0.25
37 REYMRGRRF 0.25
38 REFMRGRHF 0.25
39 YRYMRGRRI 0.25
40 YKFMRGRRF 0.26
41 RKWMRGRHF 0.26
42 RRFMRRRRI 0.26
43 YRWMRGRHI 0.27
44 RRFRRGRRI 0.27
45 YEFMRGRRF 0.27
46 REWMRGRHF 0.27
47 RRFMRGWRI 0.27
48 RRWMRRRRI 0.28
49 YKWMRGRRF 0.28
50 RRWRRGRRI 0.29
51 RKYMRGRHI 0.29
52 RRWMRGWRI 0.29
53 YEWMRGRRF 0.29
54 RRYMRGRHF 0.3
55 REYMRGRHI 0.3
56 YKFMRGRHI 0.31
57 YKYMRGRRI 0.31
58 YRFMRGRHF 0.32
59 YEYMRGRRI 0.32
60 RRFMRGRSI 0.32
61 RKFRRGRRI 0.32
62 YEFMRGRHI 0.32
63 RKFMRGWRI 0.32
64 YRYMRGRRF 0.32
65 RKFMRRRRI 0.32
66 RRFRRGRRF 0.33
67 RRFMRRRRF 0.33
68 YKWMRGRHI 0.33
69 REFMRRRRI 0.33
70 RRFMRGWRF 0.33
71 YRWMRGRHF 0.34
72 RRWMRGRSI 0.34
73 REFRRGRRI 0.34
74 RKWMRRRRI 0.34
75 YEWMRGRHI 0.34
76 REFMRGWRI 0.34
77 RRWRRGRRF 0.35
78 REWMRRRRI 0.35
79 RKYMRGRHF 0.35
80 RKWMRGWRI 0.35
81 RKWRRGRRI 0.35
82 RRWMRRRRF 0.35
83 RRWMRGWRF 0.35
84 YRYMRGRHI 0.36
85 REWMRGWRI 0.36
86 REWRRGRRI 0.36
87 YKFMRGRHF 0.37
88 RRFMRRRHI 0.37
89 RRYMRRRRI 0.37
90 REYMRGRHF 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKYMRGRRI

3.97

-8.54

-4.57
2 YEFMRGRRI

4.02

-7.78

-3.76
3 REWMRGRRI

4.3

-7.86

-3.56
4 RKFMRGRRF

4.15

-7.71

-3.56
5 RRFMRGRRI

3.96

-7.29

-3.33
6 RRYMRGRRI

4.13

-7.03

-2.9
7 REWMRGRRF

4.04

-6.83

-2.79
8 RKWMRGRRF

4.18

-6.92

-2.74
9 REFMRGRRF

4.02

-6.74

-2.72
10 RRFMRGRHF

3.59

-6.11

-2.52
11 RRYMRGRRF

4.37

-6.72

-2.35
12 RRFMRGRHI

3.94

-6.18

-2.24
13 RKFMRGRRI

3.82

-6.0

-2.18
14 RRWMRGRRF

3.84

-5.95

-2.11
15 REFMRGRHI

3.91

-5.94

-2.03
16 RRWMRGRHF

4.15

-6.16

-2.01
17 RKFMRGRHI

3.59

-5.29

-1.7
18 REFMRGRRI

3.96

-5.65

-1.69
19 RKWMRGRRI

4.01

-5.56

-1.55
20 RRFMRGRRF

4.31

-5.85

-1.54
21 RRWMRGRRI

4.28

-5.8

-1.52
22 RRWMRGRHI

3.73

-5.15

-1.42
23 REWMRGRHI

3.8

-5.2

-1.4
24 RKWMRGRHI

3.65

-4.99

-1.34
25 REYMRGRRI

3.79

-4.93

-1.14
26 YKWMRGRRI

3.8

-4.66

-0.86
27 YKFMRGRRI

3.63

-4.49

-0.86
28 YRWMRGRRI

3.82

-4.56

-0.74
29 YRFMRGRRF

3.68

-4.07

-0.39
30 YRFMRGRRI

3.8

-4.08

-0.28

 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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