Predicted ligand sequences


ADAN-name: 2BIL2.PDB (view again the scoring matrix)

PDB name: [2BIL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R R R H P S
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 1.540 ΔGbinding -22.864
TOTAL
 -21.324
Backbone Hb -3.550 Cis_bond 0.000
Sidechain Hb -8.625 Torsional clash 1.018
Van der Waals -9.281 Backbone clash 0.057
Electrostatics -14.721 Helix dipole -0.025
Solvation Polar 18.935 Water bridges -0.334
Solvation Hyd -8.768 Disulfide 0.000
VdW clashes 0.219 Electrost. Kon -7.766
Entropy sc 6.315 Part.cov.bonds 0.000
Entropy mc

3.718

 ΔGstability

-48.852
       

Predicted ligand sequences for template [2BIL2.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).
 
  2BIL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRRSQ 0.0
2 KRWRRSQ 0.09
3 RRWRRQQ 0.11
4 RRWRRNQ 0.13
5 RRWRRDQ 0.17
6 RRWRRMQ 0.19
7 KRWRRQQ 0.2
8 KRWRRNQ 0.21
9 HRWRRSQ 0.22
10 KRWRRDQ 0.25
11 KRWRRMQ 0.28
12 HRWRRQQ 0.33
13 ARWRRSQ 0.33
14 HRWRRNQ 0.34
15 GRWRRSQ 0.35
16 HRWRRDQ 0.38
17 HRWRRMQ 0.41
18 ARWRRQQ 0.44
19 ARWRRNQ 0.46
20 GRWRRQQ 0.46
21 GRWRRNQ 0.47
22 ARWRRDQ 0.5
23 GRWRRDQ 0.51
24 ARWRRMQ 0.52
25 GRWRRMQ 0.54
26 RKWRRSQ 0.78
27 RRRRRSQ 0.84
28 KKWRRSQ 0.87
29 RKWRRQQ 0.9
30 RKWRRNQ 0.91
31 KRRRRSQ 0.93
32 RKWRRDQ 0.95
33 RRRRRQQ 0.96
34 RKWRRMQ 0.97
35 RRRRRNQ 0.97
36 KKWRRQQ 0.98
37 KKWRRNQ 0.99
38 HKWRRSQ 1.0
39 RRRRRDQ 1.01
40 RRRRRMQ 1.03
41 KKWRRDQ 1.03
42 KRRRRQQ 1.04
43 KRRRRNQ 1.05
44 HRRRRSQ 1.06
45 KKWRRMQ 1.06
46 KRRRRDQ 1.09
47 HKWRRQQ 1.11
48 AKWRRSQ 1.11
49 KRRRRMQ 1.12
50 HKWRRNQ 1.13
51 GKWRRSQ 1.13
52 HKWRRDQ 1.16
53 ARRRRSQ 1.17
54 HRRRRQQ 1.17
55 GRRRRSQ 1.19
56 HRRRRNQ 1.19
57 HKWRRMQ 1.19
58 AKWRRQQ 1.23
59 HRRRRDQ 1.23
60 AKWRRNQ 1.24
61 GKWRRQQ 1.24
62 HRRRRMQ 1.25
63 GKWRRNQ 1.26
64 AKWRRDQ 1.28
65 GKWRRDQ 1.29
66 ARRRRQQ 1.29
67 ARRRRNQ 1.3
68 GRRRRQQ 1.3
69 AKWRRMQ 1.3
70 GKWRRMQ 1.32
71 GRRRRNQ 1.32
72 ARRRRDQ 1.34
73 GRRRRDQ 1.36
74 ARRRRMQ 1.37
75 GRRRRMQ 1.38
76 RKRRRSQ 1.63
77 KKRRRSQ 1.71
78 RKRRRQQ 1.74
79 RKRRRNQ 1.75
80 RKRRRDQ 1.79
81 RKRRRMQ 1.82
82 KKRRRQQ 1.82
83 KKRRRNQ 1.84
84 HKRRRSQ 1.84
85 KKRRRDQ 1.88
86 KKRRRMQ 1.9
87 HKRRRQQ 1.96
88 AKRRRSQ 1.96
89 HKRRRNQ 1.97
90 GKRRRSQ 1.97
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRWRRMQ

2.28

-21.5

-19.22
2 RRWRRMQ

2.65

-21.13

-18.48
3 GRWRRNQ

1.73

-19.56

-17.83
4 RRWRRNQ

2.3

-19.97

-17.67
5 KRWRRQQ

2.49

-20.15

-17.66
6 ARWRRMQ

2.18

-19.73

-17.55
7 ARWRRQQ

1.92

-19.32

-17.4
8 KRWRRSQ

1.88

-19.09

-17.21
9 GRWRRMQ

2.43

-19.62

-17.19
10 HRWRRMQ

1.94

-19.02

-17.08
11 HRWRRDQ

1.78

-18.25

-16.47
12 RRWRRSQ

2.01

-18.22

-16.21
13 GRWRRSQ

1.84

-17.6

-15.76
14 HRWRRQQ

1.96

-16.9

-14.94
15 KRWRRNQ

1.94

-16.44

-14.5
16 RKWRRNQ

2.16

-16.57

-14.41
17 RRWRRDQ

2.11

-16.42

-14.31
18 ARWRRSQ

1.86

-16.06

-14.2
19 GRWRRDQ

2.0

-16.01

-14.01
20 ARWRRNQ

1.82

-15.7

-13.88
21 RRRRRSQ

2.12

-15.97

-13.85
22 RKWRRSQ

2.0

-15.56

-13.56
23 RRWRRQQ

1.92

-15.28

-13.36
24 HRWRRNQ

2.17

-15.51

-13.34
25 GRWRRQQ

1.9

-14.77

-12.87
26 HRWRRSQ

1.78

-14.58

-12.8
27 ARWRRDQ

2.0

-14.26

-12.26
28 KRWRRDQ

2.24

-14.45

-12.21
29 RKWRRQQ

1.9

-13.55

-11.65
30 KKWRRSQ

2.25

-12.76

-10.51

 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