Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 1.543 ΔGbinding -2.057
TOTAL
 -0.514
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.862
Van der Waals -3.492 Backbone clash 0.004
Electrostatics 0.128 Helix dipole 0.000
Solvation Polar 3.347 Water bridges 0.000
Solvation Hyd -4.978 Disulfide 0.000
VdW clashes 0.024 Electrost. Kon 0.065
Entropy sc 0.481 Part.cov.bonds 0.000
Entropy mc

2.781

 ΔGstability

24.669
       

Predicted ligand sequences for model [LSB1_1CKA-11.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).
 
  LSB1_1CKA-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPPIRRL 0.0
2 YPPIRPL 0.1
3 YPRIRRL 0.18
4 YPPIRGL 0.24
5 YPRIRPL 0.28
6 YPKIRRL 0.3
7 YDPIRRL 0.32
8 YPPMRRL 0.33
9 YPPIHRL 0.34
10 FPPIRRL 0.38
11 YPKIRPL 0.4
12 YRPIRRL 0.42
13 YDPIRPL 0.42
14 YPRIRGL 0.42
15 YPPMRPL 0.43
16 YPPIHPL 0.44
17 YPPFRRL 0.47
18 FPPIRPL 0.48
19 YDRIRRL 0.5
20 YPRMRRL 0.51
21 YRPIRPL 0.52
22 YPRIHRL 0.52
23 YPKIRGL 0.54
24 YDPIRGL 0.56
25 FPRIRRL 0.57
26 YPPFRPL 0.57
27 YPPMRGL 0.57
28 YPPIHGL 0.58
29 YDRIRPL 0.6
30 YRRIRRL 0.6
31 YPRMRPL 0.61
32 FPPIRGL 0.62
33 YDKIRRL 0.62
34 YPRIHPL 0.62
35 YPKMRRL 0.63
36 YPKIHRL 0.64
37 YDPMRRL 0.64
38 YPRFRRL 0.65
39 YDPIHRL 0.65
40 YRPIRGL 0.66
41 YPPMHRL 0.66
42 FPRIRPL 0.67
43 FPKIRRL 0.69
44 FDPIRRL 0.7
45 YRRIRPL 0.7
46 FPPMRRL 0.71
47 YPPFRGL 0.71
48 YDKIRPL 0.72
49 FPPIHRL 0.72
50 YRKIRRL 0.72
51 YPKMRPL 0.73
52 YPKIHPL 0.74
53 YDPMRPL 0.74
54 YDRIRGL 0.74
55 YRPMRRL 0.74
56 YPRFRPL 0.75
57 YRPIHRL 0.75
58 YDPIHPL 0.75
59 YPRMRGL 0.75
60 YPPMHPL 0.76
61 YPRIHGL 0.76
62 YPKFRRL 0.77
63 YDPFRRL 0.78
64 FPKIRPL 0.79
65 FDPIRPL 0.8
66 YPPFHRL 0.8
67 FRPIRRL 0.8
68 FPRIRGL 0.81
69 FPPMRPL 0.81
70 FPPIHPL 0.82
71 YRKIRPL 0.82
72 YDRIHRL 0.83
73 YDRMRRL 0.83
74 YRPMRPL 0.84
75 YPRMHRL 0.84
76 YRRIRGL 0.84
77 YRPIHPL 0.85
78 FPPFRRL 0.85
79 YDKIRGL 0.86
80 YPKFRPL 0.87
81 YPKMRGL 0.87
82 YDPMRGL 0.88
83 FDRIRRL 0.88
84 YPKIHGL 0.88
85 YRPFRRL 0.88
86 YDPFRPL 0.88
87 FPRMRRL 0.89
88 YPRFRGL 0.89
89 YDPIHGL 0.89
90 FPRIHRL 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPRIRRL

3.93

-9.96

-6.03
2 YPRIHRL

4.31

-10.2

-5.89
3 YPPIRGL

3.12

-8.71

-5.59
4 YPRIRGL

3.28

-8.85

-5.57
5 YPKIRGL

3.41

-8.71

-5.3
6 YPKIRPL

3.2

-8.43

-5.23
7 FPPIRRL

3.33

-8.4

-5.07
8 YPRIRPL

3.46

-8.47

-5.01
9 YPPIHRL

3.7

-8.5

-4.8
10 FPPIRPL

3.2

-7.47

-4.27
11 YPPIRRL

3.87

-8.1

-4.23
12 YPPIHGL

3.78

-8.0

-4.22
13 FPRIRRL

3.91

-8.11

-4.2
14 YRPIRRL

3.64

-7.81

-4.17
15 YPPMRGL

5.1

-9.19

-4.09
16 YPPFRRL

4.42

-8.13

-3.71
17 YPPIRPL

4.17

-7.85

-3.68
18 YPKIRRL

4.68

-7.91

-3.23
19 YRPIRPL

3.57

-6.79

-3.22
20 YDPIRRL

4.18

-7.35

-3.17
21 YPRMRRL

5.84

-9.0

-3.16
22 YPPMRPL

5.19

-8.24

-3.05
23 YDRIRPL

3.88

-6.66

-2.78
24 YPPIHPL

4.71

-7.39

-2.68
25 YPPMRRL

5.41

-8.04

-2.63
26 YPPFRPL

4.54

-6.87

-2.33
27 YDPIRPL

4.55

-6.65

-2.1
28 YDPIRGL

4.06

-5.84

-1.78
29 YRRIRRL

4.89

-6.63

-1.74
30 YDRIRRL

4.92

-6.31

-1.39

 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