Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_UJ0-CSK-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 0.695 ΔGbinding -0.329
TOTAL
 0.366
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.090
Van der Waals -1.668 Backbone clash 0.146
Electrostatics 0.052 Helix dipole 0.000
Solvation Polar 2.496 Water bridges -0.084
Solvation Hyd -2.245 Disulfide 0.000
VdW clashes 0.176 Electrost. Kon 0.076
Entropy sc 0.231 Part.cov.bonds 0.000
Entropy mc

1.823

 ΔGstability

51.963
       

Predicted ligand sequences for model [SLA1-D3_UJ0-CSK-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_UJ0-CSK-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EERMGRPNMH 0.0
2 EEKMGRPNMH 0.07
3 EERIGRPNMH 0.07
4 EERLGRPNMH 0.1
5 EEKIGRPNMH 0.14
6 EEKLGRPNMH 0.17
7 EERMGRPMMH 0.32
8 EERMGRTNMH 0.35
9 EERMGRPTMH 0.36
10 EERIGRPMMH 0.39
11 EEKMGRPMMH 0.39
12 EERMQRPNMH 0.41
13 EEKMGRPTMH 0.42
14 EERLGRPMMH 0.42
15 EEKMGRTNMH 0.42
16 EERIGRTNMH 0.43
17 EERIGRPTMH 0.43
18 EERLGRTNMH 0.46
19 EERLGRPTMH 0.46
20 EERMGRQNMH 0.46
21 EEKIGRPMMH 0.46
22 EEKMQRPNMH 0.48
23 EERIQRPNMH 0.48
24 EEKLGRPMMH 0.49
25 EEKIGRPTMH 0.5
26 EEKIGRTNMH 0.5
27 EERLQRPNMH 0.51
28 EEKLGRTNMH 0.52
29 EEKLGRPTMH 0.53
30 EEKMGRQNMH 0.53
31 EERIGRQNMH 0.54
32 EEKIQRPNMH 0.55
33 EERLGRQNMH 0.57
34 EEKLQRPNMH 0.58
35 EEKIGRQNMH 0.6
36 EEKLGRQNMH 0.63
37 EERMGRTMMH 0.67
38 EERMGRTTMH 0.71
39 EERMQRPMMH 0.73
40 EEKMGRTMMH 0.74
41 EERIGRTMMH 0.75
42 EERMQRTNMH 0.77
43 EERMQRPTMH 0.77
44 EERLGRTMMH 0.77
45 EEKMGRTTMH 0.78
46 EERIGRTTMH 0.78
47 EERMGRQMMH 0.78
48 EEKMQRPMMH 0.8
49 EERIQRPMMH 0.8
50 EEKIGRTMMH 0.81
51 EERLGRTTMH 0.81
52 EERMGRQTMH 0.82
53 EEKMQRTNMH 0.83
54 EERLQRPMMH 0.83
55 EEKLGRTMMH 0.84
56 EEKMQRPTMH 0.84
57 EERIQRTNMH 0.84
58 EERIQRPTMH 0.84
59 EEKMGRQMMH 0.85
60 EERIGRQMMH 0.85
61 EEKIGRTTMH 0.85
62 EEKIQRPMMH 0.87
63 EERLQRTNMH 0.87
64 EERLQRPTMH 0.87
65 EERMQRQNMH 0.87
66 EEKLGRTTMH 0.88
67 EERLGRQMMH 0.88
68 EEKMGRQTMH 0.89
69 EERIGRQTMH 0.89
70 EEKLQRPMMH 0.9
71 EEKIQRTNMH 0.91
72 EEKIQRPTMH 0.91
73 EERLGRQTMH 0.92
74 EEKIGRQMMH 0.92
75 EEKLQRTNMH 0.94
76 EEKMQRQNMH 0.94
77 EEKLQRPTMH 0.94
78 EEKLGRQMMH 0.95
79 EERIQRQNMH 0.95
80 EEKIGRQTMH 0.96
81 EERLQRQNMH 0.98
82 EEKLGRQTMH 0.99
83 EEKIQRQNMH 1.02
84 EEKLQRQNMH 1.04
85 EERMQRTMMH 1.08
86 EERMQRTTMH 1.12
87 EEKMQRTMMH 1.15
88 EERIQRTMMH 1.16
89 EERMQRQMMH 1.19
90 EEKMQRTTMH 1.19
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EEKIGRPNMH

2.09

-8.14

-6.05
2 EEKMGRPMMH

1.72

-7.7

-5.98
3 EERMGRQNMH

3.04

-9.0

-5.96
4 EEKMGRQNMH

2.79

-8.46

-5.67
5 EEKMGRPNMH

3.07

-8.69

-5.62
6 EERMGRPMMH

1.81

-7.41

-5.6
7 EERIGRPNMH

2.02

-7.6

-5.58
8 EEKIGRPMMH

2.06

-7.62

-5.56
9 EERIGRTNMH

1.8

-7.3

-5.5
10 EERLGRPMMH

2.42

-7.78

-5.36
11 EEKLGRTNMH

1.99

-7.35

-5.36
12 EERIQRPNMH

2.78

-8.07

-5.29
13 EEKLGRPNMH

2.16

-7.4

-5.24
14 EEKMGRTNMH

1.82

-6.99

-5.17
15 EERIGRPMMH

1.76

-6.69

-4.93
16 EERMGRTNMH

2.35

-7.21

-4.86
17 EEKIGRTNMH

2.49

-7.33

-4.84
18 EERMGRPNMH

2.21

-6.99

-4.78
19 EEKIGRPTMH

2.35

-6.81

-4.46
20 EERMGRPTMH

2.66

-6.82

-4.16
21 EERIGRPTMH

2.58

-6.74

-4.16
22 EERLGRTNMH

2.66

-6.79

-4.13
23 EERLGRPTMH

2.88

-6.95

-4.07
24 EEKLGRPMMH

2.76

-6.67

-3.91
25 EEKMQRPNMH

3.7

-7.46

-3.76
26 EEKLGRPTMH

3.24

-6.98

-3.74
27 EERLGRPNMH

2.59

-6.24

-3.65
28 EEKMGRPTMH

3.24

-6.73

-3.49
29 EERMQRPNMH

3.76

-7.13

-3.37
30 EERLQRPNMH

4.13

-6.01

-1.88

 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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