Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-17.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
G
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 8.707 ΔGbinding 7.637
TOTAL
 16.344
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.628
Van der Waals -5.177 Backbone clash 0.046
Electrostatics 0.587 Helix dipole 0.000
Solvation Polar 5.880 Water bridges -0.058
Solvation Hyd -6.998 Disulfide 0.000
VdW clashes 10.208 Electrost. Kon 0.568
Entropy sc 0.958 Part.cov.bonds 0.000
Entropy mc

3.591

 ΔGstability

41.112
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWKRGYRF 0.0
2 FRFKRGYRF 0.0
3 FRRKRGYRF 0.01
4 MRWKRGYRF 0.14
5 MRFKRGYRF 0.14
6 MRRKRGYRF 0.15
7 RRFKRGYRF 0.25
8 RRWKRGYRF 0.25
9 RRRKRGYRF 0.26
10 FRWKRGYRW 0.37
11 FPWKRGYRF 0.37
12 FPFKRGYRF 0.37
13 FRFKRGYRW 0.37
14 FPRKRGYRF 0.38
15 FRRKRGYRW 0.38
16 FRWKRGYRH 0.41
17 FRRKRGYRH 0.41
18 FRFKRGYRH 0.41
19 FRFKRGRRF 0.44
20 FRWKRGRRF 0.44
21 FRRKRGRRF 0.45
22 FRFRRGYRF 0.49
23 FRRRRGYRF 0.49
24 FRWRRGYRF 0.49
25 MRFKRGYRW 0.51
26 MPFKRGYRF 0.51
27 MRWKRGYRW 0.51
28 MPWKRGYRF 0.51
29 MRRKRGYRW 0.52
30 MPRKRGYRF 0.52
31 MRFKRGYRH 0.54
32 MRWKRGYRH 0.54
33 MRRKRGYRH 0.55
34 MRFKRGRRF 0.58
35 MRWKRGRRF 0.58
36 MRRKRGRRF 0.59
37 RPWKRGYRF 0.62
38 RPFKRGYRF 0.62
39 MRFRRGYRF 0.62
40 RRWKRGYRW 0.62
41 RRFKRGYRW 0.62
42 MRWRRGYRF 0.62
43 RRRKRGYRW 0.63
44 RPRKRGYRF 0.63
45 MRRRRGYRF 0.63
46 RRWKRGYRH 0.65
47 RRFKRGYRH 0.65
48 RRRKRGYRH 0.66
49 RRWKRGRRF 0.69
50 RRFKRGRRF 0.69
51 RRRKRGRRF 0.7
52 RRFRRGYRF 0.73
53 RRWRRGYRF 0.73
54 FPWKRGYRW 0.74
55 FPFKRGYRW 0.74
56 RRRRRGYRF 0.74
57 FPRKRGYRW 0.75
58 FPFKRGYRH 0.78
59 FPWKRGYRH 0.78
60 FPRKRGYRH 0.79
61 FPWKRGRRF 0.81
62 FRWKRGRRW 0.81
63 FPFKRGRRF 0.82
64 FPRKRGRRF 0.82
65 FRRKRGRRW 0.82
66 FRFKRGRRW 0.82
67 FRFKRGRRH 0.85
68 FRWKRGRRH 0.85
69 FPFRRGYRF 0.86
70 FRRKRGRRH 0.86
71 FRWRRGYRW 0.86
72 FPWRRGYRF 0.86
73 FRFRRGYRW 0.86
74 FRRRRGYRW 0.87
75 FPRRRGYRF 0.87
76 MPFKRGYRW 0.88
77 MPWKRGYRW 0.88
78 MPRKRGYRW 0.89
79 FRFRRGYRH 0.89
80 FRWRRGYRH 0.89
81 FRRRRGYRH 0.9
82 MPFKRGYRH 0.92
83 MPRKRGYRH 0.92
84 MPWKRGYRH 0.92
85 FRFRRGRRF 0.93
86 FRWRRGRRF 0.93
87 FRRRRGRRF 0.94
88 MRFKRGRRW 0.95
89 MPWKRGRRF 0.95
90 MPFKRGRRF 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPWKRGYRF

5.72

-5.53

0.19
2 MPWKRGYRF

5.93

-4.92

1.01
3 FRRKRGRRF

7.06

-5.55

1.51
4 MRFKRGYRF

6.07

-4.11

1.96
5 FRWKRGRRF

7.15

-5.09

2.06
6 FRWKRGYRF

7.23

-4.98

2.25
7 FRFKRGRRF

7.17

-4.8

2.37
8 FRWRRGYRF

5.86

-3.33

2.53
9 FPRKRGYRF

6.91

-4.14

2.77
10 FRFKRGYRF

5.71

-2.88

2.83
11 FPFKRGYRF

6.17

-3.21

2.96
12 FRWKRGYRH

5.5

-2.45

3.05
13 FRRKRGYRW

6.66

-3.25

3.41
14 MRRKRGYRF

7.25

-3.66

3.59
15 MRRKRGYRW

6.89

-3.25

3.64
16 FRFRRGYRF

5.64

-1.99

3.65
17 MRFKRGYRW

6.87

-3.03

3.84
18 MPRKRGYRF

8.24

-4.32

3.92
19 RRRKRGYRF

6.01

-1.94

4.07
20 FRFKRGYRW

7.0

-2.51

4.49
21 FRFKRGYRH

6.92

-2.37

4.55
22 MRWKRGYRW

6.97

-2.03

4.94
23 MPFKRGYRF

7.79

-2.79

5.0
24 MRWKRGYRF

5.67

-0.58

5.09
25 RRWKRGYRF

7.7

-1.94

5.76
26 FRRRRGYRF

6.72

-0.92

5.8
27 FRRKRGYRF

7.87

-2.02

5.85
28 RRFKRGYRF

7.42

-1.5

5.92
29 FRWKRGYRW

7.92

-1.59

6.33
30 FRRKRGYRH

7.9

-1.42

6.48

 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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