Predicted ligand sequences


ADAN-name: 1H3H2.PDB (view again the scoring matrix)

PDB name: [1H3H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A P S I D R S T K P A
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
A
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 6.668 ΔGbinding -7.430
TOTAL
 -0.762
Backbone Hb -0.830 Cis_bond 0.000
Sidechain Hb -0.870 Torsional clash 0.290
Van der Waals -9.790 Backbone clash 1.790
Electrostatics -1.220 Helix dipole 0.000
Solvation Polar 9.200 Water bridges -0.670
Solvation Hyd -13.340 Disulfide 0.000
VdW clashes 1.950 Electrost. Kon -1.340
Entropy sc 5.780 Part.cov.bonds 0.000
Entropy mc

3.400

 ΔGstability

54.610
       

Predicted ligand sequences for template [1H3H2.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).
 
  1H3H2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPMMPRRLRRR 0.0
2 MPMMWRRLRRR 0.01
3 MPMMHRRLRRR 0.02
4 MPRMPRRLRRR 0.04
5 MPRMWRRLRRR 0.05
6 MPKMWRRLRRR 0.06
7 MPRMHRRLRRR 0.06
8 MPKMPRRLRRR 0.06
9 MPKMHRRLRRR 0.08
10 QPMMPRRLRRR 0.09
11 QPMMWRRLRRR 0.09
12 QPMMHRRLRRR 0.11
13 MPMMPRRLRRK 0.11
14 MPMMWRRLRRK 0.12
15 MPMMHRRLRRK 0.13
16 QPRMWRRLRRR 0.13
17 QPRMPRRLRRR 0.13
18 QPKMPRRLRRR 0.14
19 QPKMWRRLRRR 0.15
20 QPRMHRRLRRR 0.15
21 MPRMPRRLRRK 0.15
22 MPRMWRRLRRK 0.16
23 QPKMHRRLRRR 0.16
24 MPKMWRRLRRK 0.17
25 MPRMHRRLRRK 0.17
26 MPKMPRRLRRK 0.17
27 MPMMPRRLRRH 0.18
28 MPMMWRRLRRH 0.19
29 MPKMHRRLRRK 0.19
30 QPMMPRRLRRK 0.2
31 QPMMWRRLRRK 0.2
32 MPMPPRRLRRR 0.2
33 MPMPWRRLRRR 0.2
34 MPMMHRRLRRH 0.2
35 QPMMHRRLRRK 0.22
36 MPMPHRRLRRR 0.22
37 MPRMPRRLRRH 0.22
38 MPRMWRRLRRH 0.23
39 MPKMWRRLRRH 0.24
40 MPRMHRRLRRH 0.24
41 MPKMPRRLRRH 0.24
42 QPRMWRRLRRK 0.24
43 QPRMPRRLRRK 0.24
44 MPRPWRRLRRR 0.24
45 MPRPPRRLRRR 0.24
46 MPKPPRRLRRR 0.25
47 QPKMPRRLRRK 0.25
48 QPKMWRRLRRK 0.26
49 QPRMHRRLRRK 0.26
50 KPMMPRRLRRR 0.26
51 MPKMHRRLRRH 0.26
52 MPRPHRRLRRR 0.26
53 MPKPWRRLRRR 0.26
54 KPMMWRRLRRR 0.27
55 QPMMPRRLRRH 0.27
56 MPMMPRRMRRR 0.27
57 QPMMWRRLRRH 0.27
58 QPKMHRRLRRK 0.27
59 MPKPHRRLRRR 0.27
60 QPMMHRRLRRH 0.28
61 KPMMHRRLRRR 0.28
62 QPMPPRRLRRR 0.28
63 MPMMWRRMRRR 0.28
64 QPMPWRRLRRR 0.29
65 MPMMPHRLRRR 0.29
66 MPMMHRRMRRR 0.29
67 MPMMPRRKRRR 0.3
68 MPMDPRRLRRR 0.3
69 QPMPHRRLRRR 0.3
70 MPMPPRRLRRK 0.3
71 MPMMWHRLRRR 0.3
72 MPRMPRRMRRR 0.31
73 MPMDWRRLRRR 0.31
74 KPRMPRRLRRR 0.31
75 KPRMWRRLRRR 0.31
76 QPRMPRRLRRH 0.31
77 MPMMWRRKRRR 0.31
78 QPRMWRRLRRH 0.31
79 MPMPWRRLRRK 0.31
80 MPMMHHRLRRR 0.31
81 MPMMHRRKRRR 0.32
82 MPMDHRRLRRR 0.32
83 QPRPPRRLRRR 0.32
84 QPKMPRRLRRH 0.32
85 KPKMPRRLRRR 0.32
86 MPRMWRRMRRR 0.32
87 MPKMWRRMRRR 0.33
88 QPKMWRRLRRH 0.33
89 MPKMPRRMRRR 0.33
90 QPRMHRRLRRH 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPKMHRRLRRR

6.43

-12.91

-6.48
2 MPRMHRRLRRR

6.41

-12.68

-6.27
3 MPMMPRRLRRR

6.5

-12.69

-6.19
4 QPMMWRRLRRR

6.55

-12.31

-5.76
5 MPMMHRRLRRR

6.35

-12.09

-5.74
6 MPKMPRRLRRR

7.83

-13.43

-5.6
7 MPRMWRRLRRK

6.19

-11.77

-5.58
8 MPKMWRRLRRK

6.79

-12.29

-5.5
9 MPRMPRRLRRR

7.05

-12.07

-5.02
10 MPMMWRRLRRK

6.42

-11.37

-4.95
11 MPMMPRRLRRH

7.01

-11.89

-4.88
12 QPKMPRRLRRR

7.79

-12.64

-4.85
13 MPRMHRRLRRK

6.6

-11.23

-4.63
14 MPKMHRRLRRK

6.39

-11.0

-4.61
15 QPRMPRRLRRR

8.19

-12.72

-4.53
16 MPKMWRRLRRR

6.4

-10.84

-4.44
17 QPRMHRRLRRR

6.74

-11.15

-4.41
18 MPKMPRRLRRK

6.84

-11.24

-4.4
19 MPRMWRRLRRR

6.5

-10.81

-4.31
20 MPMMPRRLRRK

6.76

-10.92

-4.16
21 QPMMPRRLRRK

7.02

-11.13

-4.11
22 QPKMHRRLRRR

6.51

-10.34

-3.83
23 MPMMWRRLRRH

6.35

-10.09

-3.74
24 QPKMWRRLRRR

5.61

-9.33

-3.72
25 MPMMHRRLRRK

7.2

-10.76

-3.56
26 QPRMWRRLRRR

7.02

-10.45

-3.43
27 MPMMWRRLRRR

6.91

-10.18

-3.27
28 MPRMPRRLRRK

7.81

-11.04

-3.23
29 QPMMPRRLRRR

7.18

-10.19

-3.01
30 QPMMHRRLRRR

6.43

-9.37

-2.94

 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