Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-15.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 3.393 ΔGbinding 0.976
TOTAL
 4.369
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.331
Van der Waals -3.888 Backbone clash 0.269
Electrostatics 0.375 Helix dipole 0.000
Solvation Polar 4.871 Water bridges 0.002
Solvation Hyd -5.240 Disulfide 0.000
VdW clashes 2.658 Electrost. Kon 0.397
Entropy sc 0.669 Part.cov.bonds 0.000
Entropy mc

3.352

 ΔGstability

83.476
       

Predicted ligand sequences for model [BZZ1-D1_2A28-15.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_2A28-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RYWMIRKRR 0.0
2 RYWMIRLRR 0.01
3 RYFMIRKRR 0.01
4 RYFMIRLRR 0.02
5 RYWMIRRRR 0.05
6 RYFMIRRRR 0.07
7 FYWMIRKRR 0.08
8 FYWMIRLRR 0.09
9 FYFMIRKRR 0.09
10 RYPMIRKRR 0.1
11 FYFMIRLRR 0.1
12 RYWWIRKRR 0.11
13 RYPMIRLRR 0.11
14 RYFWIRKRR 0.12
15 RYWWIRLRR 0.12
16 RYFWIRLRR 0.13
17 FYWMIRRRR 0.14
18 RYWFIRKRR 0.14
19 RYPMIRRRR 0.15
20 RYFFIRKRR 0.15
21 RYWFIRLRR 0.15
22 FYFMIRRRR 0.15
23 RYFFIRLRR 0.16
24 RYWWIRRRR 0.16
25 RYFWIRRRR 0.17
26 FYPMIRKRR 0.18
27 FYWWIRKRR 0.19
28 FYPMIRLRR 0.19
29 RYWFIRRRR 0.19
30 FYFWIRKRR 0.2
31 FYWWIRLRR 0.2
32 RYWMFRKRR 0.2
33 RYWMFRLRR 0.21
34 RYWMVRKRR 0.21
35 RYFFIRRRR 0.21
36 RYFMFRKRR 0.21
37 RYPWIRKRR 0.21
38 FYFWIRLRR 0.21
39 RYFMVRKRR 0.22
40 RYFMFRLRR 0.22
41 RYPWIRLRR 0.22
42 RYWMVRLRR 0.22
43 FYWFIRKRR 0.22
44 RYFMVRLRR 0.23
45 FYPMIRRRR 0.23
46 FYFFIRKRR 0.23
47 FYWFIRLRR 0.23
48 FYFFIRLRR 0.24
49 FYWWIRRRR 0.24
50 RYPFIRKRR 0.24
51 RYPFIRLRR 0.25
52 RYWMFRRRR 0.26
53 MYWMIRKRR 0.26
54 FYFWIRRRR 0.26
55 RYPWIRRRR 0.26
56 RYFMFRRRR 0.27
57 MYFMIRKRR 0.27
58 MYWMIRLRR 0.27
59 RYWMVRRRR 0.27
60 RYFMVRRRR 0.28
61 FYWMFRKRR 0.28
62 MYFMIRLRR 0.28
63 FYWFIRRRR 0.28
64 FYWMFRLRR 0.29
65 FYFMFRKRR 0.29
66 RYPFIRRRR 0.29
67 FYWMVRKRR 0.29
68 FYPWIRKRR 0.29
69 FYFFIRRRR 0.29
70 FYPWIRLRR 0.3
71 FYWMVRLRR 0.3
72 FYFMVRKRR 0.3
73 RYPMFRKRR 0.3
74 FYFMFRLRR 0.3
75 RYPMFRLRR 0.31
76 RYPMVRKRR 0.31
77 MYWMIRRRR 0.31
78 RYWWFRKRR 0.31
79 FYFMVRLRR 0.31
80 RYWWVRKRR 0.32
81 RYPMVRLRR 0.32
82 RYWWFRLRR 0.32
83 FYPFIRKRR 0.32
84 MYFMIRRRR 0.32
85 RYFWFRKRR 0.32
86 RYFWVRKRR 0.33
87 RYWWVRLRR 0.33
88 RYFWFRLRR 0.33
89 FYPFIRLRR 0.33
90 RYWFFRKRR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RYPMIRKRR

4.01

-10.6

-6.59
2 FYFMIRKRR

5.46

-10.86

-5.4
3 RYFMIRRRR

4.58

-9.78

-5.2
4 RYWMIRLRR

4.87

-9.9

-5.03
5 RYPMIRLRR

4.16

-9.09

-4.93
6 FYPMIRLRR

3.63

-8.52

-4.89
7 FYFMIRLRR

4.15

-8.93

-4.78
8 FYWMIRLRR

4.79

-9.48

-4.69
9 FYWMIRRRR

4.66

-9.15

-4.49
10 RYWMIRRRR

5.01

-9.31

-4.3
11 FYPMIRKRR

4.44

-8.64

-4.2
12 RYWWIRRRR

4.51

-8.67

-4.16
13 RYPMIRRRR

4.12

-8.27

-4.15
14 RYWWIRLRR

4.46

-8.55

-4.09
15 RYWFIRRRR

3.82

-7.74

-3.92
16 RYWFIRLRR

4.16

-7.79

-3.63
17 RYFFIRLRR

5.08

-8.61

-3.53
18 RYFMIRLRR

4.63

-8.14

-3.51
19 FYFMIRRRR

5.0

-8.5

-3.5
20 FYWWIRKRR

4.38

-7.86

-3.48
21 RYWFIRKRR

4.14

-7.41

-3.27
22 FYFWIRKRR

4.22

-7.35

-3.13
23 RYFFIRKRR

4.28

-7.31

-3.03
24 RYWWIRKRR

4.26

-7.21

-2.95
25 RYFWIRRRR

4.82

-7.54

-2.72
26 RYFMIRKRR

5.35

-8.02

-2.67
27 RYFWIRLRR

5.04

-7.51

-2.47
28 RYFWIRKRR

5.04

-7.14

-2.1
29 RYWMIRKRR

5.18

-7.26

-2.08
30 FYWMIRKRR

4.78

-6.43

-1.65

 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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