Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-16.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 3.788 ΔGbinding 1.391
TOTAL
 5.179
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.485
Van der Waals -3.760 Backbone clash 0.400
Electrostatics 0.540 Helix dipole 0.000
Solvation Polar 4.796 Water bridges -0.096
Solvation Hyd -5.067 Disulfide 0.000
VdW clashes 1.407 Electrost. Kon 0.452
Entropy sc 0.776 Part.cov.bonds 0.000
Entropy mc

3.134

 ΔGstability

86.718
       

Predicted ligand sequences for model [BZZ1-D1_2A28-16.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_2A28-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPLPSRRF 0.0
2 FPPLKSRRF 0.07
3 FYPLPSRRF 0.07
4 FPPLRSRRF 0.12
5 FYPLKSRRF 0.14
6 FYPLRSRRF 0.19
7 FPFLPSRRF 0.21
8 FPPLPGRRF 0.23
9 FPPLPSRRW 0.25
10 FPRLPSRRF 0.25
11 FPPLPSRRP 0.26
12 FYFLPSRRF 0.28
13 FPPIPSRRF 0.29
14 FPFLKSRRF 0.29
15 FYPLPGRRF 0.3
16 FYRLPSRRF 0.31
17 FPPLKGRRF 0.31
18 FYPLPSRRW 0.31
19 FPRLKSRRF 0.32
20 FPPLKSRRW 0.32
21 FYPLPSRRP 0.33
22 FPFLRSRRF 0.34
23 FPPLKSRRP 0.34
24 FYFLKSRRF 0.35
25 FYPIPSRRF 0.36
26 FPPIKSRRF 0.36
27 FPPLRGRRF 0.36
28 FPPLRSRRW 0.37
29 FPRLRSRRF 0.37
30 FYPLKGRRF 0.37
31 FPPLRSRRP 0.39
32 FYRLKSRRF 0.39
33 FYPLKSRRW 0.39
34 FYFLRSRRF 0.4
35 FYPLKSRRP 0.4
36 FPPIRSRRF 0.41
37 FFPLPSRRF 0.41
38 FYPLRGRRF 0.42
39 FYPIKSRRF 0.43
40 FYPLRSRRW 0.43
41 FYRLRSRRF 0.44
42 FPFLPGRRF 0.45
43 FYPLRSRRP 0.45
44 FPFLPSRRW 0.46
45 FYPIRSRRF 0.48
46 FFPLKSRRF 0.48
47 FPFLPSRRP 0.48
48 FPRLPGRRF 0.48
49 FPPLPGRRW 0.48
50 FPRLPSRRW 0.49
51 FPPLPGRRP 0.5
52 FPRLPSRRP 0.51
53 FPFIPSRRF 0.51
54 FYFLPGRRF 0.52
55 FPFLKGRRF 0.52
56 FYFLPSRRW 0.53
57 FPPIPGRRF 0.53
58 FFPLRSRRF 0.53
59 FPFLKSRRW 0.53
60 FPRIPSRRF 0.54
61 FPPIPSRRW 0.54
62 FPPLKGRRW 0.55
63 FYFLPSRRP 0.55
64 FYRLPGRRF 0.55
65 FPFLKSRRP 0.55
66 FYPLPGRRW 0.55
67 FYRLPSRRW 0.56
68 FPRLKGRRF 0.56
69 FPPIPSRRP 0.56
70 FYPLPGRRP 0.56
71 FPPLKGRRP 0.57
72 FPRLKSRRW 0.57
73 FPFLRGRRF 0.57
74 FYFIPSRRF 0.57
75 FYRLPSRRP 0.58
76 FPFLRSRRW 0.58
77 FPRLKSRRP 0.58
78 FPFIKSRRF 0.58
79 FYFLKGRRF 0.59
80 FYPIPGRRF 0.59
81 FYPIPSRRW 0.6
82 FPFLRSRRP 0.6
83 FPRLRGRRF 0.6
84 FPPLRGRRW 0.6
85 FPPIKGRRF 0.6
86 FYFLKSRRW 0.6
87 FYRIPSRRF 0.61
88 FPPIKSRRW 0.61
89 FPRIKSRRF 0.61
90 FYPIPSRRP 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPLKSRRP

4.72

-11.9

-7.18
2 FPFLRSRRF

3.81

-10.73

-6.92
3 FPPLKGRRF

3.7

-10.6

-6.9
4 FPPLPGRRF

3.76

-10.6

-6.84
5 FPPLRGRRF

3.59

-9.98

-6.39
6 FPPLPSRRP

5.25

-11.5

-6.25
7 FPPIKSRRF

4.16

-10.12

-5.96
8 FPFLPSRRF

4.39

-10.21

-5.82
9 FPRLKSRRF

3.9

-9.54

-5.64
10 FYPLPSRRP

5.46

-10.83

-5.37
11 FYPLKGRRF

3.72

-9.03

-5.31
12 FPPIPSRRF

4.16

-9.32

-5.16
13 FPFLKSRRF

4.89

-10.02

-5.13
14 FPPLRSRRF

5.99

-10.89

-4.9
15 FPPLPSRRF

6.01

-10.88

-4.87
16 FPRLRSRRF

6.04

-10.88

-4.84
17 FPPLKSRRF

5.23

-10.04

-4.81
18 FYPLPSRRF

4.29

-9.06

-4.77
19 FPRLPSRRF

6.19

-10.64

-4.45
20 FYPIPSRRF

4.58

-8.7

-4.12
21 FYPLKSRRF

4.93

-9.04

-4.11
22 FYFLKSRRF

5.29

-9.24

-3.95
23 FYPLRSRRF

4.82

-8.77

-3.95
24 FPPLKSRRW

4.83

-8.69

-3.86
25 FPPLRSRRW

6.01

-9.74

-3.73
26 FYPLPSRRW

4.46

-8.08

-3.62
27 FPPLPSRRW

6.2

-9.72

-3.52
28 FYFLPSRRF

4.97

-8.48

-3.51
29 FYRLPSRRF

5.53

-9.04

-3.51
30 FYPLPGRRF

3.36

-6.74

-3.38

 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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