Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-2.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 10
poly-Ala A 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 2.856 ΔGbinding -3.636
TOTAL
 -0.780
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.843
Van der Waals -4.886 Backbone clash 0.055
Electrostatics -0.344 Helix dipole 0.000
Solvation Polar 5.150 Water bridges -0.134
Solvation Hyd -6.964 Disulfide 0.000
VdW clashes 1.272 Electrost. Kon -0.449
Entropy sc 1.007 Part.cov.bonds 0.000
Entropy mc

2.142

 ΔGstability

77.680
       

Predicted ligand sequences for model [BZZ1-D1_2A28-2.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_2A28-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKRYMRRDRW 0.0
2 WKRYRRRDRW 0.06
3 WKRYPRRDRW 0.13
4 WKRRMRRDRW 0.13
5 WPRYMRRDRW 0.14
6 FKRYMRRDRW 0.15
7 WKRYMRRPRW 0.16
8 LKRYMRRDRW 0.17
9 WKRRRRRDRW 0.19
10 WPRYRRRDRW 0.19
11 WKKYMRRDRW 0.2
12 WHRYMRRDRW 0.2
13 WKRYMRRWRW 0.21
14 FKRYRRRDRW 0.21
15 WKRYRRRPRW 0.21
16 WKRYMRRDRH 0.22
17 LKRYRRRDRW 0.22
18 WKRYMRMDRW 0.23
19 WKKYRRRDRW 0.25
20 WHRYRRRDRW 0.25
21 WKRYRRRWRW 0.26
22 WKRRPRRDRW 0.26
23 WPRYPRRDRW 0.27
24 WPRRMRRDRW 0.27
25 WKRYRRRDRH 0.28
26 WKRYRRMDRW 0.29
27 FPRYMRRDRW 0.29
28 WKRRMRRPRW 0.29
29 WKRYPRRPRW 0.29
30 FKRYPRRDRW 0.29
31 FKRRMRRDRW 0.29
32 WPRYMRRPRW 0.3
33 LKRRMRRDRW 0.3
34 LKRYPRRDRW 0.3
35 FKRYMRRPRW 0.31
36 LPRYMRRDRW 0.31
37 WPRRRRRDRW 0.33
38 LKRYMRRPRW 0.33
39 WHRRMRRDRW 0.33
40 WHRYPRRDRW 0.33
41 WKKYPRRDRW 0.33
42 WKKRMRRDRW 0.33
43 WPRYMRRWRW 0.34
44 WKRRMRRWRW 0.34
45 WKRYPRRWRW 0.34
46 WPKYMRRDRW 0.34
47 FKRRRRRDRW 0.34
48 FKKYMRRDRW 0.35
49 WPRYRRRPRW 0.35
50 FHRYMRRDRW 0.35
51 WKRYPRRDRH 0.35
52 WHRYMRRPRW 0.35
53 WKRRRRRPRW 0.35
54 FPRYRRRDRW 0.35
55 LHRYMRRDRW 0.36
56 LKRRRRRDRW 0.36
57 LPRYRRRDRW 0.36
58 WKKYMRRPRW 0.36
59 WKRRMRMDRW 0.36
60 FKRYMRRWRW 0.36
61 WKRYPRMDRW 0.36
62 WPRYMRRDRH 0.36
63 WKRRMRRDRH 0.36
64 WPRYMRMDRW 0.37
65 FKRYRRRPRW 0.37
66 LKKYMRRDRW 0.37
67 WKRYMRRPRH 0.38
68 WKRYMRRDRR 0.38
69 FKRYMRRDRH 0.38
70 LKRYRRRPRW 0.38
71 LKRYMRRWRW 0.38
72 WKKRRRRDRW 0.39
73 FKRYMRMDRW 0.39
74 WKRYMRMPRW 0.39
75 WPKYRRRDRW 0.39
76 LKRYMRRDRH 0.39
77 WHKYMRRDRW 0.39
78 WHRRRRRDRW 0.39
79 LKRYMRMDRW 0.4
80 WPRYRRRWRW 0.4
81 WKRRRRRWRW 0.4
82 WHRYMRRWRW 0.4
83 WPRRPRRDRW 0.4
84 WKKYRRRPRW 0.41
85 FHRYRRRDRW 0.41
86 WHRYRRRPRW 0.41
87 FKKYRRRDRW 0.41
88 WKKYMRRWRW 0.41
89 WKRRRRRDRH 0.41
90 FKRYRRRWRW 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPRYRRRDRW

5.69

-10.99

-5.3
2 WPRYPRRDRW

4.14

-8.82

-4.68
3 WKRYRRMDRW

5.92

-9.26

-3.34
4 WKRRPRRDRW

4.42

-7.5

-3.08
5 FPRYMRRDRW

4.88

-7.59

-2.71
6 WPRRMRRDRW

6.19

-8.85

-2.66
7 WHRYRRRDRW

5.05

-7.69

-2.64
8 WKRYRRRWRW

5.64

-8.13

-2.49
9 FKRYRRRDRW

4.77

-7.01

-2.24
10 WKRRMRRPRW

4.16

-6.28

-2.12
11 WKRYPRRDRW

3.82

-5.89

-2.07
12 WPRYMRRDRW

6.46

-8.43

-1.97
13 WKRRRRRDRW

5.28

-7.21

-1.93
14 WHRYMRRDRW

6.23

-8.13

-1.9
15 FKRYPRRDRW

3.43

-5.32

-1.89
16 WKRRMRRDRW

5.11

-6.73

-1.62
17 WKRYMRRDRW

5.38

-6.2

-0.82
18 WKRYRRRDRW

5.67

-6.13

-0.46
19 FKRYMRRDRW

5.84

-6.18

-0.34
20 LKRYRRRDRW

5.83

-5.47

0.36
21 WKRYPRRPRW

7.01

-6.56

0.45
22 WKRYRRRDRH

6.61

-5.2

1.41
23 WKRYRRRPRW

5.26

-3.76

1.5
24 WKRYMRRDRH

6.66

-4.98

1.68
25 WKKYRRRDRW

8.19

-5.95

2.24
26 WKKYMRRDRW

8.49

-5.59

2.9
27 WKRYMRRWRW

6.74

-3.74

3.0
28 WKRYMRMDRW

8.14

-5.1

3.04
29 WKRYMRRPRW

6.73

-3.18

3.55
30 LKRYMRRDRW

7.64

-3.8

3.84

 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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