Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_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 5.243 ΔGbinding 1.931
TOTAL
 7.174
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.435
Van der Waals -4.174 Backbone clash 0.003
Electrostatics 0.402 Helix dipole 0.000
Solvation Polar 4.945 Water bridges 0.008
Solvation Hyd -5.319 Disulfide 0.000
VdW clashes 3.642 Electrost. Kon 0.443
Entropy sc 0.629 Part.cov.bonds 0.000
Entropy mc

2.194

 ΔGstability

29.645
       

Predicted ligand sequences for model [BZZ1-D1_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-D1_1ZUU-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDKPKRHPY 0.0
2 DDWPKRHPY 0.02
3 DDKPRRHPY 0.05
4 DDWPRRHPY 0.07
5 DDKPKRHHY 0.08
6 DRKPKRHPY 0.09
7 DDWPKRHHY 0.1
8 DRWPKRHPY 0.11
9 DDKPRRHHY 0.13
10 DRKPRRHPY 0.14
11 DDFPKRHPY 0.15
12 DRWPRRHPY 0.15
13 DDWPRRHHY 0.15
14 DDKPHRHPY 0.16
15 DRKPKRHHY 0.17
16 DDWPHRHPY 0.18
17 DDFPRRHPY 0.19
18 DRWPKRHHY 0.19
19 DRKPRRHHY 0.22
20 DDKPKIHPY 0.22
21 DDKPKRHRY 0.22
22 DDFPKRHHY 0.23
23 DRFPKRHPY 0.23
24 SDKPKRHPY 0.24
25 DDKPHRHHY 0.24
26 DRWPRRHHY 0.24
27 DDWPKRHRY 0.24
28 DDWPKIHPY 0.24
29 DRKPHRHPY 0.25
30 SDWPKRHPY 0.26
31 DDWPHRHHY 0.26
32 DRWPHRHPY 0.27
33 DDKPRRHRY 0.27
34 DDKPRIHPY 0.27
35 DDKPKRHPF 0.27
36 DDFPRRHHY 0.27
37 DRFPRRHPY 0.28
38 DDWPRRHRY 0.28
39 EDKPKRHPY 0.28
40 DDWPKRHPF 0.29
41 DDWPRIHPY 0.29
42 SDKPRRHPY 0.29
43 DDKPKIHHY 0.3
44 EDWPKRHPY 0.3
45 DEKPKRHPY 0.3
46 DRKPKIHPY 0.31
47 SDWPRRHPY 0.31
48 DDFPHRHPY 0.31
49 DRKPKRHRY 0.31
50 DRFPKRHHY 0.32
51 DEWPKRHPY 0.32
52 DDWPKIHHY 0.32
53 SDKPKRHHY 0.32
54 DDKPRRHPF 0.32
55 DRKPHRHHY 0.33
56 DRWPKRHRY 0.33
57 EDKPRRHPY 0.33
58 DRWPKIHPY 0.33
59 SRKPKRHPY 0.33
60 DDWPRRHPF 0.34
61 DDKPKRHPR 0.34
62 SDWPKRHHY 0.34
63 EDWPRRHPY 0.35
64 DDKPKRHHF 0.35
65 SRWPKRHPY 0.35
66 DEKPRRHPY 0.35
67 DRWPHRHHY 0.35
68 DRKPRRHRY 0.35
69 DDKPRIHHY 0.35
70 DDWPKRHPR 0.36
71 DRKPRIHPY 0.36
72 DDFPKRHRY 0.36
73 EDKPKRHHY 0.36
74 DRKPKRHPF 0.36
75 DRFPRRHHY 0.36
76 DRWPRRHRY 0.37
77 ERKPKRHPY 0.37
78 DDWPKRHHF 0.37
79 SDKPRRHHY 0.37
80 DDWPRIHHY 0.37
81 DDFPKIHPY 0.37
82 DEWPRRHPY 0.37
83 DRWPRIHPY 0.38
84 DRWPKRHPF 0.38
85 EDWPKRHHY 0.38
86 DEKPKRHHY 0.38
87 DDKPHRHRY 0.38
88 SRKPRRHPY 0.38
89 SDFPKRHPY 0.39
90 DDKPHIHPY 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DDKPKIHPY

4.33

-4.74

-0.41
2 DDWPKIHPY

6.66

-6.16

0.5
3 DDKPRRHHY

4.82

-4.19

0.63
4 DDKPKRHHY

5.18

-4.48

0.7
5 DRKPHRHPY

5.11

-4.37

0.74
6 DDWPKRHHY

6.37

-5.54

0.83
7 DDKPHRHHY

4.85

-3.93

0.92
8 DRKPRRHPY

5.41

-4.43

0.98
9 DDWPRRHHY

5.11

-4.0

1.11
10 DRKPKRHHY

5.21

-3.99

1.22
11 DDKPHRHPY

5.22

-3.93

1.29
12 DDKPRRHPY

5.18

-3.8

1.38
13 DDKPKRHPY

6.34

-4.94

1.4
14 DRWPRRHHY

6.93

-5.51

1.42
15 DRWPRRHPY

6.54

-5.1

1.44
16 DRKPRRHHY

5.21

-3.72

1.49
17 DRKPKRHPY

5.06

-3.46

1.6
18 SDKPKRHPY

5.3

-3.65

1.65
19 DDWPRRHPY

6.95

-5.18

1.77
20 DDWPKRHRY

6.79

-5.01

1.78
21 DDFPKRHHY

6.85

-4.86

1.99
22 DRWPKRHHY

7.12

-5.12

2.0
23 DDWPKRHPY

4.93

-2.85

2.08
24 DRFPKRHPY

6.83

-4.74

2.09
25 DDKPKRHRY

5.76

-3.35

2.41
26 SDWPKRHPY

6.87

-4.31

2.56
27 DDFPKRHPY

6.79

-3.91

2.88
28 DRWPKRHPY

6.85

-3.95

2.9
29 DDFPRRHPY

7.98

-4.81

3.17
30 DDWPHRHPY

7.81

-4.3

3.51

 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.

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