Predicted ligand sequences


ADAN-name: 1KC22.PDB (view again the scoring matrix)

PDB name: [1KC2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q y E E I P I
position 1 2 3 4 5 6 7 8
poly-Ala A A
y
 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 4.050 ΔGbinding -13.970
TOTAL
 -9.920
Backbone Hb -4.440 Cis_bond 0.000
Sidechain Hb -7.320 Torsional clash 0.110
Van der Waals -10.020 Backbone clash 0.880
Electrostatics -5.120 Helix dipole -0.250
Solvation Polar 16.500 Water bridges -1.680
Solvation Hyd -10.970 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon -2.600
Entropy sc 6.610 Part.cov.bonds 0.000
Entropy mc

5.140

 ΔGstability

29.810
       

Predicted ligand sequences for template [1KC22.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).
 
  1KC22.PDB  

(data)
# Predicted Sequences Value Calculate
1 PGyDsLPy 0.0
2 PGyDsLEy 0.1
3 PGyDsLyy 0.17
4 PGyDsLPW 0.23
5 PGyDsLPD 0.26
6 GGyDsLPy 0.28
7 PGyDsLEW 0.33
8 PGyysLPy 0.34
9 sGyDsLPy 0.35
10 PGyDsLED 0.36
11 GGyDsLEy 0.38
12 PGyEsLPy 0.39
13 PGyDsLyW 0.4
14 PDyDsLPy 0.42
15 PGyDsLyD 0.43
16 PGyysLEy 0.44
17 PsyDsLPy 0.45
18 sGyDsLEy 0.45
19 GGyDsLyy 0.45
20 PGyEsLEy 0.49
21 PGyysLyy 0.51
22 sGyDsLyy 0.52
23 PDyDsLEy 0.52
24 GGyDsLPW 0.52
25 PsyDsLEy 0.55
26 GGyDsLPD 0.55
27 PGyEsLyy 0.56
28 PGyysLPW 0.57
29 sGyDsLPW 0.58
30 PDyDsLyy 0.59
31 sGyDsLPD 0.61
32 PGyysLPD 0.61
33 GGyDsLEW 0.61
34 PsyDsLyy 0.62
35 GGyysLPy 0.63
36 PGyEsLPW 0.63
37 GGyDsLED 0.65
38 PDyDsLPW 0.66
39 PGyEsLPD 0.66
40 PGyysLEW 0.67
41 PsyDsLPW 0.68
42 GGyDsLyW 0.68
43 sGyDsLEW 0.68
44 GGyEsLPy 0.68
45 PDyDsLPD 0.69
46 sGyysLPy 0.69
47 PGyysLED 0.7
48 PsyDsLPD 0.71
49 sGyDsLED 0.71
50 GDyDsLPy 0.71
51 PGyEsLEW 0.72
52 GGyDsLyD 0.72
53 GsyDsLPy 0.73
54 GGyysLEy 0.73
55 sGyEsLPy 0.74
56 PGyysLyW 0.75
57 sGyDsLyW 0.75
58 PGyEsLED 0.76
59 PDyDsLEW 0.76
60 PDyysLPy 0.77
61 sDyDsLPy 0.77
62 GGyEsLEy 0.78
63 sGyDsLyD 0.78
64 PsyDsLEW 0.78
65 PGyysLyD 0.78
66 sGyysLEy 0.79
67 PDyDsLED 0.79
68 PsyysLPy 0.79
69 PGyEsLyW 0.8
70 ssyDsLPy 0.8
71 GGyysLyy 0.8
72 PsyDsLED 0.81
73 GDyDsLEy 0.81
74 PDyEsLPy 0.82
75 PDyDsLyW 0.83
76 GsyDsLEy 0.83
77 PGyEsLyD 0.83
78 PsyEsLPy 0.84
79 sGyEsLEy 0.84
80 GGyEsLyy 0.85
81 PsyDsLyW 0.85
82 GGyysLPW 0.86
83 PDyDsLyD 0.86
84 sGyysLyy 0.86
85 sDyDsLEy 0.87
86 PDyysLEy 0.87
87 GDyDsLyy 0.88
88 PsyDsLyD 0.88
89 GGyysLPD 0.89
90 PsyysLEy 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PGyEsLPy

3.11

-17.45

-14.34
2 PGyDsLED

2.7

-16.83

-14.13
3 PGyDsLEy

3.12

-16.98

-13.86
4 PGyDsLPy

3.67

-17.45

-13.78
5 GGyDsLPy

2.28

-16.05

-13.77
6 PsyDsLPy

4.8

-18.49

-13.69
7 GGyDsLPD

2.12

-15.66

-13.54
8 GGyDsLyy

2.91

-16.25

-13.34
9 PGyDsLyD

2.92

-16.07

-13.15
10 PDyDsLPy

4.5

-17.61

-13.11
11 sGyDsLEy

4.4

-17.48

-13.08
12 PGyDsLEW

2.89

-15.94

-13.05
13 sGyDsLyy

3.57

-16.24

-12.67
14 PDyDsLEy

4.71

-17.38

-12.67
15 GGyDsLEy

2.95

-15.56

-12.61
16 PGyDsLPD

2.78

-15.27

-12.49
17 PGyysLPW

2.94

-15.28

-12.34
18 PGyEsLEy

2.78

-15.1

-12.32
19 PGyDsLPW

2.52

-14.83

-12.31
20 PGyysLEy

3.57

-15.86

-12.29
21 PGyysLyy

2.93

-15.13

-12.2
22 PGyDsLyy

2.83

-14.91

-12.08
23 sGyDsLPW

2.42

-14.48

-12.06
24 PDyDsLyy

5.26

-17.21

-11.95
25 sGyDsLPy

2.57

-14.39

-11.82
26 PsyDsLEy

4.6

-16.32

-11.72
27 GGyDsLPW

2.59

-14.18

-11.59
28 PGyEsLyy

3.56

-15.01

-11.45
29 PGyDsLyW

3.08

-13.89

-10.81
30 PGyysLPy

3.05

-13.79

-10.74

 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