Predicted ligand sequences


ADAN-name: 1W702.PDB (view again the scoring matrix)

PDB name: [1W70.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P Q P A V P P R P S A D
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala A
A
 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    

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Intraclash 1.202 ΔGbinding -14.250
TOTAL
 -13.048
Backbone Hb -1.110 Cis_bond 0.000
Sidechain Hb -4.240 Torsional clash 0.010
Van der Waals -8.080 Backbone clash 0.260
Electrostatics -1.830 Helix dipole 0.000
Solvation Polar 7.210 Water bridges -0.590
Solvation Hyd -11.170 Disulfide 0.000
VdW clashes 0.090 Electrost. Kon -0.800
Entropy sc 4.660 Part.cov.bonds 0.000
Entropy mc

1.600

 ΔGstability

-7.220
       

Predicted ligand sequences for template [1W702.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).
 
  1W702.PDB  

(data)
# Predicted Sequences Value Calculate
1 KEMPRIPPRMHRR 0.0
2 KEMPRIPFRMHRR 0.0
3 KGMPRIPPRMHRR 0.01
4 KGMPRIPFRMHRR 0.01
5 KEMPRIPPRMHWR 0.02
6 KEMPRIPFRMHWR 0.02
7 KEMPRIPFRMHHR 0.03
8 KEMPRIPPRMHHR 0.03
9 KGMPRIPFRMHWR 0.03
10 KGMPRIPPRMHWR 0.03
11 KGMPRIPFRMHHR 0.04
12 MEMPRIPFRMHRR 0.04
13 KGMPRIPPRMHHR 0.04
14 MEMPRIPPRMHRR 0.04
15 MGMPRIPPRMHRR 0.05
16 KEMPRIPWRMHRR 0.05
17 MGMPRIPFRMHRR 0.05
18 MEMPRIPFRMHWR 0.06
19 KGMPRIPWRMHRR 0.06
20 MEMPRIPPRMHWR 0.06
21 KEMPRIPPRMHRK 0.07
22 KPMPRIPFRMHRR 0.07
23 KEMPRVPPRMHRR 0.07
24 KEMPRIPFRMHRK 0.07
25 MGMPRIPPRMHWR 0.07
26 MEMPRIPPRMHHR 0.07
27 KEMPRVPFRMHRR 0.07
28 KEMPRIPWRMHWR 0.07
29 MEMPRIPFRMHHR 0.07
30 MGMPRIPFRMHWR 0.07
31 KPMPRIPPRMHRR 0.07
32 KGMPRIPPRMHRK 0.08
33 KEMPGIPFRMHRR 0.08
34 KGMPRIPFRMHRK 0.08
35 KEMPRIPPRMHRH 0.08
36 KGMPRVPPRMHRR 0.08
37 KEMPRIPWRMHHR 0.08
38 KEMPRIPFRMHRH 0.08
39 KGMPRVPFRMHRR 0.08
40 MGMPRIPFRMHHR 0.08
41 KEMPGIPPRMHRR 0.08
42 KEMPWIPFRMHRR 0.08
43 MGMPRIPPRMHHR 0.08
44 KEMPWIPPRMHRR 0.08
45 KGMPRIPWRMHWR 0.08
46 KEMPRIPPRMKRR 0.09
47 KGMPRIPPRMHRH 0.09
48 KEMPRIPPRMHWK 0.09
49 KGMPWIPFRMHRR 0.09
50 KGMPRIPFRMHRH 0.09
51 KGMPGIPPRMHRR 0.09
52 KGMPRIPWRMHHR 0.09
53 KEMPRIPFRMHWK 0.09
54 KPMPRIPFRMHWR 0.09
55 KGMPGIPFRMHRR 0.09
56 MEMPRIPWRMHRR 0.09
57 KEMPRVPFRMHWR 0.09
58 KEMPRIPFRMKRR 0.09
59 KGMPWIPPRMHRR 0.09
60 KEMPRVPPRMHWR 0.09
61 KPMPRIPPRMHWR 0.09
62 KEMPRIPPRMHWH 0.1
63 KEMPRIPFRMHHK 0.1
64 KPMPRIPPRMHHR 0.1
65 KPMPRIPFRMHHR 0.1
66 KEMPRIPFRMHWH 0.1
67 KEMPGIPFRMHWR 0.1
68 KGMPRVPPRMHWR 0.1
69 KEMPRVPPRMHHR 0.1
70 MGMPRIPWRMHRR 0.1
71 KEMPRIPPRMHHK 0.1
72 KGMPRIPPRMKRR 0.1
73 KEMPWIPFRMHWR 0.1
74 KGMPRVPFRMHWR 0.1
75 KEMPGIPPRMHWR 0.1
76 KEMPRVPFRMHHR 0.1
77 KGMPRIPPRMHWK 0.1
78 KEMPWIPPRMHWR 0.1
79 KGMPRIPFRMKRR 0.1
80 KGMPRIPFRMHWK 0.1
81 MPMPRIPPRMHRR 0.11
82 KEMPRIPFRMHHH 0.11
83 MEMPRVPPRMHRR 0.11
84 MPMPRIPFRMHRR 0.11
85 KGMPGIPPRMHWR 0.11
86 KEMPGIPFRMHHR 0.11
87 KGMPRVPFRMHHR 0.11
88 KEMPGIPPRMHHR 0.11
89 KGMPRIPFRMHHK 0.11
90 KEMPRIPFRMKWR 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KEMPRIPPRMHWR

1.42

-17.34

-15.92
2 MGMPRIPPRMHWR

1.34

-17.17

-15.83
3 KGMPRIPPRMHWR

1.31

-17.13

-15.82
4 MEMPRIPPRMHWR

1.57

-17.36

-15.79
5 KEMPRIPPRMHRR

1.33

-17.07

-15.74
6 KGMPRIPPRMHHR

1.31

-16.92

-15.61
7 KEMPRIPPRMHHR

1.33

-16.9

-15.57
8 MEMPRIPFRMHWR

1.35

-16.9

-15.55
9 KGMPRIPFRMHHR

1.48

-16.8

-15.32
10 MGMPRIPPRMHRR

1.43

-16.73

-15.3
11 MGMPRIPFRMHRR

1.34

-16.62

-15.28
12 MEMPRIPFRMHRR

1.3

-16.5

-15.2
13 KEMPRIPWRMHWR

1.41

-16.57

-15.16
14 MEMPRIPFRMHHR

1.39

-16.53

-15.14
15 MEMPRIPPRMHHR

1.48

-16.49

-15.01
16 KEMPRVPFRMHRR

1.33

-16.32

-14.99
17 KEMPRIPPRMHRK

1.81

-16.6

-14.79
18 KGMPRIPFRMHRR

1.36

-16.12

-14.76
19 KGMPRIPWRMHRR

1.38

-16.03

-14.65
20 KEMPRIPFRMHRR

1.83

-16.46

-14.63
21 MEMPRIPPRMHRR

1.6

-16.21

-14.61
22 KPMPRIPFRMHRR

1.45

-15.78

-14.33
23 KEMPRIPWRMHRR

1.44

-15.57

-14.13
24 KEMPRIPFRMHRK

1.66

-15.75

-14.09
25 KEMPRVPPRMHRR

1.46

-15.54

-14.08
26 KEMPRIPFRMHHR

1.46

-15.15

-13.69
27 KGMPRIPPRMHRR

1.71

-15.21

-13.5
28 MGMPRIPFRMHWR

1.41

-14.51

-13.1
29 KGMPRIPFRMHWR

1.4

-14.42

-13.02
30 KEMPRIPFRMHWR

1.83

-14.61

-12.78

 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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