Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-17.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 3.958 ΔGbinding 4.695
TOTAL
 8.653
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.085
Van der Waals -4.475 Backbone clash 0.023
Electrostatics 0.504 Helix dipole 0.000
Solvation Polar 4.998 Water bridges -0.051
Solvation Hyd -6.311 Disulfide 0.000
VdW clashes 7.556 Electrost. Kon 0.532
Entropy sc 0.848 Part.cov.bonds 0.000
Entropy mc

3.559

 ΔGstability

90.242
       

Predicted ligand sequences for model [SLA1-D2_1JO8-17.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-D2_1JO8-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPFRQGFRW 0.0
2 YPFRQGRRW 0.0
3 YPFRKGFRW 0.01
4 YPFRKGRRW 0.01
5 YPFRFGRRW 0.04
6 YPFRFGFRW 0.04
7 RPFRQGRRW 0.12
8 RPFRQGFRW 0.12
9 RPFRKGFRW 0.13
10 YPFRKGWRW 0.13
11 RPFRKGRRW 0.13
12 YPFRQGWRW 0.13
13 YNFRQGFRW 0.16
14 RPFRFGFRW 0.16
15 RPFRFGRRW 0.16
16 YNFRQGRRW 0.16
17 YPFRFGWRW 0.16
18 YNFRKGFRW 0.17
19 YNFRKGRRW 0.17
20 YRFRQGFRW 0.18
21 YRFRQGRRW 0.18
22 YRFRKGRRW 0.19
23 YRFRKGFRW 0.19
24 YNFRFGFRW 0.2
25 YNFRFGRRW 0.2
26 YRFRFGFRW 0.22
27 YRFRFGRRW 0.22
28 RPFRQGWRW 0.25
29 RPFRKGWRW 0.25
30 YPIRQGRRW 0.27
31 YPIRQGFRW 0.27
32 RNFRQGRRW 0.28
33 RNFRQGFRW 0.28
34 YPIRKGFRW 0.28
35 YPIRKGRRW 0.28
36 RPFRFGWRW 0.29
37 YPVRQGRRW 0.29
38 RNFRKGFRW 0.29
39 RNFRKGRRW 0.29
40 YNFRQGWRW 0.29
41 YPVRQGFRW 0.29
42 RRFRQGRRW 0.3
43 YNFRKGWRW 0.3
44 RRFRQGFRW 0.3
45 YPVRKGRRW 0.3
46 YPVRKGFRW 0.3
47 YPIRFGRRW 0.31
48 YPIRFGFRW 0.31
49 YRFRQGWRW 0.31
50 RRFRKGRRW 0.31
51 YRFRKGWRW 0.31
52 RRFRKGFRW 0.31
53 RNFRFGFRW 0.32
54 RNFRFGRRW 0.32
55 YPVRFGRRW 0.33
56 YNFRFGWRW 0.33
57 YPVRFGFRW 0.33
58 RRFRFGRRW 0.34
59 RRFRFGFRW 0.34
60 YRFRFGWRW 0.34
61 FPFRQGRRW 0.36
62 FPFRQGFRW 0.36
63 FPFRKGFRW 0.37
64 FPFRKGRRW 0.37
65 FPFRFGRRW 0.4
66 RPIRKGFRW 0.4
67 FPFRFGFRW 0.4
68 YPIRQGWRW 0.4
69 RPIRKGRRW 0.4
70 RPIRQGFRW 0.4
71 RPIRQGRRW 0.4
72 RPVRQGFRW 0.41
73 RNFRQGWRW 0.41
74 YPIRKGWRW 0.41
75 RPVRQGRRW 0.41
76 RNFRKGWRW 0.42
77 YPVRQGWRW 0.42
78 RPVRKGFRW 0.42
79 RPVRKGRRW 0.42
80 RPIRFGFRW 0.43
81 YPVRKGWRW 0.43
82 RRFRKGWRW 0.43
83 RRFRQGWRW 0.43
84 RPIRFGRRW 0.43
85 YNIRKGFRW 0.44
86 YNIRKGRRW 0.44
87 YNIRQGFRW 0.44
88 YNIRQGRRW 0.44
89 YPIRFGWRW 0.44
90 RPVRFGRRW 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YPFRKGWRW

3.92

-6.78

-2.86
2 YPFRKGFRW

3.78

-6.6

-2.82
3 YPFRFGWRW

3.95

-6.04

-2.09
4 RPFRKGWRW

3.79

-5.69

-1.9
5 RPFRKGFRW

3.8

-5.4

-1.6
6 YPFRKGRRW

3.45

-5.0

-1.55
7 YPFRQGRRW

3.78

-5.18

-1.4
8 YNFRKGFRW

4.19

-4.84

-0.65
9 YRFRQGRRW

4.01

-4.54

-0.53
10 YPIRQGRRW

5.27

-5.79

-0.52
11 YPFRFGFRW

3.92

-4.43

-0.51
12 YPFRQGFRW

3.77

-4.19

-0.42
13 YRFRKGFRW

4.16

-4.48

-0.32
14 YPFRFGRRW

4.13

-4.37

-0.24
15 RPFRKGRRW

4.03

-4.25

-0.22
16 RPFRQGWRW

3.76

-3.68

0.08
17 RPFRFGFRW

3.91

-3.62

0.29
18 RPFRQGRRW

4.16

-3.81

0.35
19 RPFRFGRRW

4.02

-3.5

0.52
20 RPFRQGFRW

4.2

-3.67

0.53
21 YRFRQGFRW

4.09

-3.36

0.73
22 YRFRKGRRW

3.97

-3.18

0.79
23 YRFRFGFRW

4.22

-3.39

0.83
24 YRFRFGRRW

3.82

-2.97

0.85
25 YPFRQGWRW

5.43

-4.41

1.02
26 YNFRKGRRW

6.12

-4.8

1.32
27 YNFRFGRRW

5.29

-3.85

1.44
28 YNFRFGFRW

4.49

-3.04

1.45
29 YNFRQGFRW

4.41

-2.74

1.67
30 YNFRQGRRW

6.05

-4.01

2.04

 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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