Predicted ligand sequences


ADAN-name: 2V902.PDB (view again the scoring matrix)

PDB name: [2V90.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A D R E T S V
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    

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Intraclash 0.616 ΔGbinding -6.310
TOTAL
 -5.694
Backbone Hb -9.020 Cis_bond 0.000
Sidechain Hb -3.300 Torsional clash 0.020
Van der Waals -7.940 Backbone clash 1.100
Electrostatics -1.890 Helix dipole 0.000
Solvation Polar 14.160 Water bridges -0.310
Solvation Hyd -9.450 Disulfide 0.000
VdW clashes 1.540 Electrost. Kon -1.060
Entropy sc 4.900 Part.cov.bonds 0.000
Entropy mc

6.050

 ΔGstability

4.620
       

Predicted ligand sequences for template [2V902.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).
 
  2V902.PDB  

(data)
# Predicted Sequences Value Calculate
1 DHRMMWL 0.0
2 DRRMMWL 0.01
3 EHRMMWL 0.02
4 ERRMMWL 0.03
5 PHRMMWL 0.1
6 PRRMMWL 0.11
7 DHKMMWL 0.13
8 DHRMFWL 0.13
9 DRRMFWL 0.14
10 DRKMMWL 0.14
11 EHKMMWL 0.15
12 DHRMMYL 0.15
13 EHRMFWL 0.15
14 ERKMMWL 0.16
15 DRRMMYL 0.16
16 ERRMFWL 0.16
17 DKRMMWL 0.17
18 EHRMMYL 0.17
19 DHRWMWL 0.18
20 ERRMMYL 0.18
21 DRRWMWL 0.19
22 EKRMMWL 0.19
23 EHRWMWL 0.2
24 ERRWMWL 0.21
25 PHKMMWL 0.23
26 PHRMFWL 0.23
27 PRKMMWL 0.24
28 PRRMFWL 0.24
29 PHRMMYL 0.25
30 DHKMFWL 0.26
31 DHRLMWL 0.26
32 PRRMMYL 0.26
33 DRRLMWL 0.27
34 DRKMFWL 0.27
35 DHRMLWL 0.27
36 PKRMMWL 0.27
37 EHKMFWL 0.28
38 DHKMMYL 0.28
39 DRRMLWL 0.28
40 DHRMFYL 0.28
41 EHRLMWL 0.28
42 PHRWMWL 0.28
43 DRRMFYL 0.29
44 PRRWMWL 0.29
45 ERKMFWL 0.29
46 ERRLMWL 0.29
47 EHRMLWL 0.29
48 DRKMMYL 0.29
49 EHRMFYL 0.3
50 DKKMMWL 0.3
51 EHKMMYL 0.3
52 DKRMFWL 0.3
53 ERRMLWL 0.3
54 DHRMMWI 0.3
55 DHRWFWL 0.31
56 DHKWMWL 0.31
57 DRRMMWI 0.31
58 ERKMMYL 0.31
59 DHMMMWL 0.31
60 ERRMFYL 0.31
61 EKKMMWL 0.32
62 DRKWMWL 0.32
63 DKRMMYL 0.32
64 EKRMFWL 0.32
65 DRMMMWL 0.32
66 EHRMMWI 0.32
67 DHRWMYL 0.33
68 EHRWFWL 0.33
69 DRRWFWL 0.33
70 DHRMMML 0.33
71 EHMMMWL 0.33
72 ERRMMWI 0.33
73 EHKWMWL 0.33
74 ERKWMWL 0.34
75 DRRMMML 0.34
76 DRRWMYL 0.34
77 ERMMMWL 0.34
78 EKRMMYL 0.34
79 EHRWMYL 0.35
80 ERRWFWL 0.35
81 EHRMMML 0.35
82 DKRWMWL 0.35
83 ERRWMYL 0.36
84 ERRMMML 0.36
85 PHRLMWL 0.36
86 PHKMFWL 0.36
87 PRRLMWL 0.37
88 PRKMFWL 0.37
89 EKRWMWL 0.37
90 PHRMLWL 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERRMMYL

1.06

-14.4

-13.34
2 DRRMMYL

1.17

-14.27

-13.1
3 ERRMFWL

1.11

-13.69

-12.58
4 DRRMFWL

0.82

-13.17

-12.35
5 PRRMFWL

0.85

-13.2

-12.35
6 DRRMMWL

0.86

-13.2

-12.34
7 DRKMMWL

0.99

-12.99

-12.0
8 DHRMMWL

0.94

-12.91

-11.97
9 EKRMMWL

0.94

-12.89

-11.95
10 DKRMMWL

0.84

-12.64

-11.8
11 DHRMMYL

0.93

-12.67

-11.74
12 PRRMMWL

0.92

-12.52

-11.6
13 PHRMMWL

0.85

-12.38

-11.53
14 EHKMMWL

0.76

-12.29

-11.53
15 DHRMFWL

0.84

-12.21

-11.37
16 EHRMFWL

0.66

-12.01

-11.35
17 DHKMFWL

0.79

-12.13

-11.34
18 ERKMMWL

0.86

-11.97

-11.11
19 EHRMMYL

0.96

-12.07

-11.11
20 PRKMMWL

1.5

-12.58

-11.08
21 DRRWMWL

2.47

-12.82

-10.35
22 ERRMMWL

1.53

-11.85

-10.32
23 PHRMFWL

1.64

-11.86

-10.22
24 EHRWMWL

2.07

-11.84

-9.77
25 EHRMMWL

2.06

-11.77

-9.71
26 DHKMMWL

1.58

-11.09

-9.51
27 PHRMMYL

1.17

-10.55

-9.38
28 PHKMMWL

0.83

-10.17

-9.34
29 DHRWMWL

1.08

-10.15

-9.07
30 ERRWMWL

3.26

-12.32

-9.06

 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.

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