Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-25.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
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    

(Help)

Intraclash 0.390 ΔGbinding -3.392
TOTAL
 -3.002
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.511
Van der Waals -3.913 Backbone clash 0.015
Electrostatics 0.269 Helix dipole 0.000
Solvation Polar 4.410 Water bridges -0.055
Solvation Hyd -5.116 Disulfide 0.000
VdW clashes 0.033 Electrost. Kon 0.355
Entropy sc 1.054 Part.cov.bonds 0.000
Entropy mc

2.886

 ΔGstability

10.611
       

Predicted ligand sequences for model [LSB3_1SSH-25.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).
 
  LSB3_1SSH-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 EFPYMPRRR 0.0
2 EFPPMPRRR 0.01
3 DFPPMPRRR 0.01
4 DFPYMPRRR 0.01
5 DFPYMPPRR 0.07
6 EFPYMPPRR 0.07
7 EFPPMPPRR 0.08
8 DFPPMPPRR 0.08
9 KFPYMPRRR 0.11
10 KFPPMPRRR 0.12
11 DFPYMPKRR 0.15
12 EFPYMPKRR 0.15
13 DFPPMPKRR 0.16
14 EFPPMPKRR 0.16
15 KFPYMPPRR 0.17
16 KFPPMPPRR 0.18
17 EFPRMPRRR 0.22
18 DFPRMPRRR 0.22
19 KFPYMPKRR 0.26
20 KFPPMPKRR 0.27
21 DFPRMPPRR 0.29
22 EFPRMPPRR 0.29
23 KFPRMPRRR 0.33
24 EFPYLPRRR 0.33
25 DFPYLPRRR 0.33
26 EFPPLPRRR 0.34
27 DFPPLPRRR 0.34
28 DFPRMPKRR 0.37
29 EFPRMPKRR 0.37
30 ERPYMPRRR 0.38
31 DRPYMPRRR 0.39
32 ERPPMPRRR 0.39
33 KFPRMPPRR 0.39
34 DFPYLPPRR 0.4
35 EFPYLPPRR 0.4
36 DRPPMPRRR 0.4
37 EFPPLPPRR 0.41
38 DFPPLPPRR 0.41
39 EFPYRPRRR 0.42
40 DFPYRPRRR 0.42
41 DFPPRPRRR 0.43
42 EFPPRPRRR 0.43
43 KFPYLPRRR 0.44
44 KFPPLPRRR 0.45
45 ERPYMPPRR 0.45
46 DRPYMPPRR 0.46
47 ERPPMPPRR 0.46
48 DRPPMPPRR 0.47
49 DFPYLPKRR 0.48
50 EFPYLPKRR 0.48
51 KFPRMPKRR 0.48
52 EFPPLPKRR 0.49
53 DFPYRPPRR 0.49
54 EFPYRPPRR 0.49
55 KRPYMPRRR 0.49
56 DFPPLPKRR 0.49
57 KFPYLPPRR 0.5
58 DFPPRPPRR 0.5
59 KRPPMPRRR 0.5
60 EFPPRPPRR 0.5
61 KFPPLPPRR 0.51
62 ERPYMPKRR 0.53
63 KFPYRPRRR 0.53
64 DRPYMPKRR 0.54
65 KFPPRPRRR 0.54
66 ERPPMPKRR 0.54
67 DFPRLPRRR 0.55
68 EFPRLPRRR 0.55
69 DRPPMPKRR 0.55
70 KRPYMPPRR 0.56
71 KRPPMPPRR 0.57
72 DFPYRPKRR 0.57
73 EFPYRPKRR 0.57
74 KFPYLPKRR 0.58
75 EFPPRPKRR 0.58
76 DFPPRPKRR 0.58
77 KFPYRPPRR 0.59
78 KFPPLPKRR 0.59
79 KFPPRPPRR 0.6
80 ERPRMPRRR 0.6
81 EFPRLPPRR 0.61
82 DRPRMPRRR 0.61
83 DFPRLPPRR 0.62
84 DFPRRPRRR 0.64
85 EFPRRPRRR 0.64
86 KRPYMPKRR 0.64
87 KRPPMPKRR 0.65
88 KFPRLPRRR 0.66
89 ERPRMPPRR 0.67
90 DRPRMPPRR 0.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EFPPLPRRR

1.89

-19.64

-17.75
2 EFPYMPRRR

2.01

-19.65

-17.64
3 KFPYMPRRR

1.76

-19.34

-17.58
4 KFPPMPRRR

1.98

-19.55

-17.57
5 DFPYMPKRR

1.73

-19.22

-17.49
6 DFPPMPPRR

1.5

-18.93

-17.43
7 DFPPMPRRR

1.52

-18.91

-17.39
8 ERPYMPRRR

2.0

-19.38

-17.38
9 EFPPMPPRR

1.9

-19.26

-17.36
10 KFPPMPKRR

1.73

-19.08

-17.35
11 KFPPMPPRR

1.85

-19.03

-17.18
12 EFPPMPKRR

1.87

-18.97

-17.1
13 EFPYLPRRR

1.94

-18.96

-17.02
14 DFPYLPRRR

1.77

-18.69

-16.92
15 DFPPMPKRR

1.82

-18.72

-16.9
16 DFPRMPKRR

1.98

-18.87

-16.89
17 EFPRMPKRR

1.94

-18.82

-16.88
18 DFPYMPRRR

1.51

-18.05

-16.54
19 EFPYMPPRR

1.7

-18.24

-16.54
20 KFPYMPPRR

1.45

-17.95

-16.5
21 KFPYMPKRR

1.76

-18.21

-16.45
22 KFPRMPRRR

1.59

-18.03

-16.44
23 DFPPLPRRR

1.83

-18.24

-16.41
24 EFPPMPRRR

1.81

-18.14

-16.33
25 DFPYMPPRR

1.74

-17.88

-16.14
26 EFPRMPRRR

1.8

-17.87

-16.07
27 DFPRMPRRR

2.04

-18.09

-16.05
28 EFPYMPKRR

1.51

-17.4

-15.89
29 DFPRMPPRR

2.02

-17.75

-15.73
30 EFPRMPPRR

1.75

-17.19

-15.44

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER