Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-26.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala 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 7.270 ΔGbinding 1.338
TOTAL
 8.608
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.413
Van der Waals -4.091 Backbone clash 0.007
Electrostatics 0.327 Helix dipole 0.000
Solvation Polar 5.235 Water bridges 0.006
Solvation Hyd -5.109 Disulfide 0.000
VdW clashes 2.758 Electrost. Kon 0.352
Entropy sc 0.650 Part.cov.bonds 0.000
Entropy mc

2.072

 ΔGstability

39.042
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-26.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).
 
  BZZ1-D2_1ZUU-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDKHRIRHY 0.0
2 TDKHRIRHY 0.01
3 DRKHRIRHY 0.01
4 DDKHKIRHY 0.02
5 SDKHRIRHY 0.02
6 TRKHRIRHY 0.03
7 SRKHRIRHY 0.03
8 DRKHKIRHY 0.03
9 TDKHKIRHY 0.03
10 TRKHKIRHY 0.04
11 SDKHKIRHY 0.04
12 DDKHRIRPY 0.05
13 SRKHKIRHY 0.05
14 DRKHRIRPY 0.06
15 DDFHRIRHY 0.06
16 TDKHRIRPY 0.06
17 DDKHKIRPY 0.06
18 DRKHKIRPY 0.07
19 DRFHRIRHY 0.07
20 SDKHRIRPY 0.07
21 TRKHRIRPY 0.07
22 TDFHRIRHY 0.07
23 SDFHRIRHY 0.08
24 SDKHKIRPY 0.08
25 DDFHKIRHY 0.08
26 DDRHRIRHY 0.08
27 TRFHRIRHY 0.08
28 TDKHKIRPY 0.08
29 SRKHRIRPY 0.08
30 TDFHKIRHY 0.09
31 SDFHKIRHY 0.09
32 DRRHRIRHY 0.09
33 DRFHKIRHY 0.09
34 SRKHKIRPY 0.09
35 SRFHRIRHY 0.09
36 DDKHRMRHY 0.09
37 TRKHKIRPY 0.09
38 SDRHRIRHY 0.1
39 DRKHRMRHY 0.1
40 TRFHKIRHY 0.1
41 SRFHKIRHY 0.1
42 TDRHRIRHY 0.1
43 DDRHKIRHY 0.1
44 DDKHKMRHY 0.11
45 TDRHKIRHY 0.11
46 SDKHRMRHY 0.11
47 TDKHRMRHY 0.11
48 DDFHRIRPY 0.11
49 TRRHRIRHY 0.11
50 DRRHKIRHY 0.11
51 SRRHRIRHY 0.11
52 DRFHRIRPY 0.12
53 SRKHRMRHY 0.12
54 SDFHRIRPY 0.12
55 TDFHRIRPY 0.12
56 TDKHKMRHY 0.12
57 SDRHKIRHY 0.12
58 TRKHRMRHY 0.12
59 DDFHKIRPY 0.12
60 DRKHKMRHY 0.12
61 TRRHKIRHY 0.12
62 SDKHKMRHY 0.13
63 SRFHRIRPY 0.13
64 DRFHKIRPY 0.13
65 DDRHRIRPY 0.13
66 SRRHKIRHY 0.13
67 TRFHRIRPY 0.13
68 TRKHKMRHY 0.13
69 SRKHKMRHY 0.14
70 DDKHHIRHY 0.14
71 TDRHRIRPY 0.14
72 SDFHKIRPY 0.14
73 DDKHRMRPY 0.14
74 DRRHRIRPY 0.14
75 DDRHKIRPY 0.14
76 TDFHKIRPY 0.14
77 SRFHKIRPY 0.15
78 TRRHRIRPY 0.15
79 DRRHKIRPY 0.15
80 TRFHKIRPY 0.15
81 SDRHRIRPY 0.15
82 DDKHKMRPY 0.15
83 DDFHRMRHY 0.15
84 DRKHRMRPY 0.15
85 TDKHHIRHY 0.15
86 DRKHHIRHY 0.15
87 SDKHHIRHY 0.15
88 TDKHRMRPY 0.15
89 DRFHRMRHY 0.16
90 SDKHRMRPY 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRKHKIRHY

4.62

-4.43

0.19
2 DDKHRIRPY

4.5

-4.19

0.31
3 DRKHRIRHY

4.61

-3.99

0.62
4 DDRHRIRHY

4.88

-4.02

0.86
5 SDKHRIRPY

4.72

-3.78

0.94
6 DDKHKIRPY

5.06

-4.04

1.02
7 SRKHRIRHY

4.49

-3.28

1.21
8 TDKHRIRHY

4.64

-3.39

1.25
9 DRFHRIRHY

5.6

-4.35

1.25
10 SRKHKIRHY

4.63

-3.38

1.25
11 DDFHKIRHY

6.19

-4.76

1.43
12 DRKHRIRPY

5.03

-3.56

1.47
13 TDFHRIRHY

6.4

-4.91

1.49
14 TRKHKIRHY

5.19

-3.66

1.53
15 TDKHRIRPY

4.62

-3.08

1.54
16 DDFHRIRHY

5.61

-4.06

1.55
17 TRFHRIRHY

5.29

-3.69

1.6
18 DDKHKIRHY

5.06

-3.41

1.65
19 DDKHRIRHY

5.08

-3.34

1.74
20 TDKHKIRHY

4.85

-3.1

1.75
21 TDKHKIRPY

4.71

-2.87

1.84
22 SDKHKIRPY

5.08

-3.1

1.98
23 TRKHRIRPY

5.09

-3.09

2.0
24 SRKHRIRPY

5.34

-3.28

2.06
25 SDKHKIRHY

4.93

-2.8

2.13
26 TRKHRIRHY

5.09

-2.86

2.23
27 SDKHRIRHY

5.12

-2.88

2.24
28 DRKHKIRPY

5.47

-3.09

2.38
29 SDFHRIRHY

5.96

-3.49

2.47
30 TDFHKIRHY

5.88

-3.39

2.49

 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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