Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_2A28-21.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 G
G
 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 2.548 ΔGbinding 0.847
TOTAL
 3.395
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.161
Van der Waals -1.145 Backbone clash 0.058
Electrostatics 0.066 Helix dipole 0.000
Solvation Polar 1.329 Water bridges -0.074
Solvation Hyd -1.552 Disulfide 0.000
VdW clashes 0.730 Electrost. Kon 0.039
Entropy sc 0.057 Part.cov.bonds 0.000
Entropy mc

1.235

 ΔGstability

22.878
       

Predicted ligand sequences for model [BZZ1-D2_2A28-21.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-D2_2A28-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRLGIPQMH 0.0
2 RWRIGIPQMH 0.01
3 RWQIGIPQMH 0.03
4 RWRLGFPQMH 0.03
5 RWRIGFPQMH 0.03
6 RWQLGIPQMH 0.03
7 KWRLGIPQMH 0.04
8 KWRIGIPQMH 0.05
9 RWQLGFPQMH 0.06
10 RWRLGYPQMH 0.06
11 RWQIGFPQMH 0.06
12 KWRIGFPQMH 0.07
13 RWRIGYPQMH 0.07
14 KWQLGIPQMH 0.07
15 KWRLGFPQMH 0.07
16 KWQIGIPQMH 0.08
17 RWQLGYPQMH 0.09
18 RWILGIPQMH 0.09
19 RWIIGIPQMH 0.09
20 KWQIGFPQMH 0.1
21 RWQIGYPQMH 0.1
22 KWQLGFPQMH 0.1
23 KWRLGYPQMH 0.11
24 RWILGFPQMH 0.11
25 KWRIGYPQMH 0.11
26 RWIIGFPQMH 0.12
27 KWILGIPQMH 0.13
28 KWQLGYPQMH 0.13
29 KWIIGIPQMH 0.14
30 KWQIGYPQMH 0.14
31 HWRIGIPQMH 0.15
32 RWILGYPQMH 0.15
33 HWRLGIPQMH 0.15
34 KWILGFPQMH 0.16
35 KWIIGFPQMH 0.16
36 RWIIGYPQMH 0.16
37 HWRLGFPQMH 0.17
38 HWQLGIPQMH 0.18
39 HWRIGFPQMH 0.18
40 HWQIGIPQMH 0.18
41 KWILGYPQMH 0.19
42 RWRLHIPQMH 0.19
43 HWQLGFPQMH 0.2
44 RWRIHIPQMH 0.2
45 KWIIGYPQMH 0.2
46 HWRLGYPQMH 0.21
47 HWQIGFPQMH 0.21
48 HWRIGYPQMH 0.21
49 RWQLHIPQMH 0.22
50 RWRLHFPQMH 0.22
51 RWRIHFPQMH 0.23
52 RWQIHIPQMH 0.23
53 HWILGIPQMH 0.23
54 HWIIGIPQMH 0.24
55 KWRLHIPQMH 0.24
56 KWRIHIPQMH 0.24
57 HWQIGYPQMH 0.24
58 HWQLGYPQMH 0.24
59 RWQLHFPQMH 0.25
60 RTRLGIPQMH 0.26
61 KWRLHFPQMH 0.26
62 RTRIGIPQMH 0.26
63 RWRIHYPQMH 0.26
64 RWRLHYPQMH 0.26
65 RWQIHFPQMH 0.26
66 HWILGFPQMH 0.26
67 KWQIHIPQMH 0.27
68 KWRIHFPQMH 0.27
69 KWQLHIPQMH 0.27
70 HWIIGFPQMH 0.27
71 RTRLGFPQMH 0.28
72 RWILHIPQMH 0.28
73 RTQLGIPQMH 0.28
74 RWQIHYPQMH 0.29
75 RWQLHYPQMH 0.29
76 RTQIGIPQMH 0.29
77 RTRIGFPQMH 0.29
78 RWIIHIPQMH 0.29
79 KWQLHFPQMH 0.29
80 HWIIGYPQMH 0.3
81 KWRIHYPQMH 0.3
82 KTRIGIPQMH 0.3
83 KWRLHYPQMH 0.3
84 KTRLGIPQMH 0.3
85 HWILGYPQMH 0.3
86 KWQIHFPQMH 0.3
87 RWILHFPQMH 0.31
88 RTQLGFPQMH 0.31
89 RWIIHFPQMH 0.31
90 RTRLGYPQMH 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RWRLGFPQMH

4.84

-7.09

-2.25
2 RWILGIPQMH

4.69

-6.82

-2.13
3 RWILGFPQMH

4.54

-6.55

-2.01
4 KWQLGFPQMH

5.05

-7.0

-1.95
5 RWQIGIPQMH

4.5

-6.33

-1.83
6 KWRLGYPQMH

4.7

-6.45

-1.75
7 RWQIGFPQMH

4.56

-6.26

-1.7
8 RWRLGYPQMH

4.78

-6.46

-1.68
9 RWQLGIPQMH

4.64

-6.23

-1.59
10 RWQLGYPQMH

4.65

-6.23

-1.58
11 KWRIGYPQMH

4.59

-6.15

-1.56
12 RWRIGFPQMH

4.58

-6.14

-1.56
13 RWRIGYPQMH

4.72

-6.25

-1.53
14 KWRLGIPQMH

4.66

-6.14

-1.48
15 KWILGIPQMH

4.65

-6.11

-1.46
16 KWRIGIPQMH

4.77

-6.14

-1.37
17 KWQLGIPQMH

4.68

-6.04

-1.36
18 KWRLGFPQMH

4.76

-6.11

-1.35
19 RWQLGFPQMH

4.88

-6.16

-1.28
20 KWRIGFPQMH

4.53

-5.74

-1.21
21 RWIIGFPQMH

4.55

-5.75

-1.2
22 KWQIGFPQMH

4.66

-5.85

-1.19
23 KWIIGIPQMH

4.84

-5.97

-1.13
24 RWRIGIPQMH

4.87

-5.99

-1.12
25 RWQIGYPQMH

4.73

-5.73

-1.0
26 KWQIGYPQMH

4.78

-5.75

-0.97
27 RWRLGIPQMH

5.05

-5.99

-0.94
28 KWQIGIPQMH

4.73

-5.53

-0.8
29 RWIIGIPQMH

4.62

-5.31

-0.69
30 KWQLGYPQMH

4.83

-5.24

-0.41

 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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