Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-21.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
 G
G
 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 0.893 ΔGbinding 0.004
TOTAL
 0.897
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.066
Van der Waals -1.346 Backbone clash 0.091
Electrostatics 0.099 Helix dipole 0.000
Solvation Polar 1.881 Water bridges -0.024
Solvation Hyd -1.879 Disulfide 0.000
VdW clashes 0.189 Electrost. Kon 0.040
Entropy sc 0.268 Part.cov.bonds 0.000
Entropy mc

1.985

 ΔGstability

18.674
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERRIGRPTMH 0.0
2 ERKIGRPTMH 0.05
3 ERRFGRPTMH 0.11
4 ERRIHRPTMH 0.14
5 ERKFGRPTMH 0.16
6 ERRIGRPNMH 0.19
7 ERKIHRPTMH 0.19
8 ERRIGRPRMH 0.23
9 ERKIGRPNMH 0.24
10 ERRFHRPTMH 0.25
11 ERKIGRPRMH 0.28
12 ERRFGRPNMH 0.3
13 ERKFHRPTMH 0.3
14 ERRIGRTTMH 0.31
15 ERRIHRPNMH 0.33
16 ERRFGRPRMH 0.34
17 ERKFGRPNMH 0.35
18 ERRIQRPTMH 0.36
19 ERKIGRTTMH 0.36
20 ERRIHRPRMH 0.37
21 ERKIHRPNMH 0.38
22 ERKFGRPRMH 0.39
23 ERKIQRPTMH 0.41
24 ERRIGRETMH 0.41
25 ERRFGRTTMH 0.42
26 ERKIHRPRMH 0.42
27 ERRIHRTTMH 0.44
28 ERRFHRPNMH 0.44
29 ERKIGRETMH 0.46
30 ERKFGRTTMH 0.47
31 ERRFQRPTMH 0.47
32 ERRFHRPRMH 0.48
33 ERKIHRTTMH 0.49
34 ERKFHRPNMH 0.49
35 ERRIGRTNMH 0.5
36 ERKFQRPTMH 0.52
37 ERRFGRETMH 0.52
38 ERKFHRPRMH 0.53
39 ERRIGRTRMH 0.54
40 ERRIHRETMH 0.54
41 ERKIGRTNMH 0.55
42 ERRIQRPNMH 0.55
43 ERRFHRTTMH 0.56
44 ERKFGRETMH 0.57
45 ERKIHRETMH 0.59
46 ERKIGRTRMH 0.59
47 ERRIQRPRMH 0.59
48 ERRIGRENMH 0.6
49 ERKIQRPNMH 0.6
50 ERKFHRTTMH 0.61
51 ERRFGRTNMH 0.61
52 ERRIHRTNMH 0.63
53 ERKIQRPRMH 0.64
54 ERRIGRERMH 0.64
55 ERRFGRTRMH 0.65
56 ERKIGRENMH 0.65
57 ERRFQRPNMH 0.66
58 ERRFHRETMH 0.66
59 ERKFGRTNMH 0.66
60 ERRIQRTTMH 0.67
61 ERRIHRTRMH 0.67
62 ERKIHRTNMH 0.68
63 ERKIGRERMH 0.69
64 ERRFQRPRMH 0.7
65 ERKFGRTRMH 0.7
66 ERKFHRETMH 0.71
67 ERRFGRENMH 0.71
68 ERKIQRTTMH 0.71
69 ERKFQRPNMH 0.71
70 ERKIHRTRMH 0.72
71 ERRIHRENMH 0.73
72 ERRFGRERMH 0.75
73 ERRFHRTNMH 0.75
74 ERKFQRPRMH 0.75
75 ERKFGRENMH 0.76
76 ERRIQRETMH 0.77
77 ERRIHRERMH 0.77
78 ERKIHRENMH 0.78
79 ERRFQRTTMH 0.78
80 ERRFHRTRMH 0.79
81 ERKFHRTNMH 0.8
82 ERKFGRERMH 0.8
83 ERKIQRETMH 0.82
84 ERKIHRERMH 0.82
85 ERKFQRTTMH 0.83
86 ERKFHRTRMH 0.84
87 ERRIQRTNMH 0.85
88 ERRFHRENMH 0.85
89 ERRFQRETMH 0.88
90 ERRFHRERMH 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERKIGRPRMH

3.05

-10.81

-7.76
2 ERRIHRPRMH

4.32

-11.15

-6.83
3 ERKIHRPRMH

4.31

-10.72

-6.41
4 ERRFGRPNMH

3.11

-9.19

-6.08
5 ERKFGRTTMH

3.0

-8.74

-5.74
6 ERRFGRPRMH

2.98

-8.53

-5.55
7 ERKIGRPNMH

3.19

-8.26

-5.07
8 ERRFGRPTMH

3.43

-8.07

-4.64
9 ERKFGRPRMH

2.89

-7.53

-4.64
10 ERRIGRPRMH

3.04

-7.45

-4.41
11 ERRIGRETMH

3.06

-7.46

-4.4
12 ERRIHRPNMH

4.26

-8.63

-4.37
13 ERKIGRPTMH

3.14

-7.46

-4.32
14 ERRIGRPTMH

3.03

-7.34

-4.31
15 ERRIGRPNMH

3.31

-7.52

-4.21
16 ERRFGRTTMH

3.46

-7.62

-4.16
17 ERKFGRPNMH

3.51

-7.64

-4.13
18 ERRIGRTTMH

3.24

-7.32

-4.08
19 ERKFGRPTMH

3.24

-7.25

-4.01
20 ERKIHRPNMH

4.32

-8.29

-3.97
21 ERKIGRETMH

3.35

-7.27

-3.92
22 ERKIGRTTMH

3.37

-7.11

-3.74
23 ERRIQRPTMH

4.17

-7.49

-3.32
24 ERKIQRPTMH

4.5

-7.51

-3.01
25 ERRIHRTTMH

4.7

-7.35

-2.65
26 ERRIHRPTMH

4.98

-7.42

-2.44
27 ERKIHRPTMH

5.01

-7.42

-2.41
28 ERRFHRPTMH

4.86

-7.18

-2.32
29 ERRFHRPNMH

5.41

-7.59

-2.18
30 ERKFHRPTMH

5.01

-7.13

-2.12

 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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