Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 4.943 ΔGbinding 1.580
TOTAL
 6.523
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.369
Van der Waals -2.914 Backbone clash 0.008
Electrostatics -0.182 Helix dipole 0.000
Solvation Polar 3.253 Water bridges -0.000
Solvation Hyd -3.801 Disulfide 0.000
VdW clashes 3.785 Electrost. Kon -0.193
Entropy sc 0.526 Part.cov.bonds 0.000
Entropy mc

2.010

 ΔGstability

26.138
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPMAPMM 0.0
2 RPMAPWM 0.06
3 RPMAPMF 0.1
4 RPFAPMM 0.1
5 RPMAPMR 0.11
6 RPRAPMM 0.11
7 RPMCPMM 0.14
8 RPMAEMM 0.15
9 RPFAPWM 0.15
10 RPMAPWF 0.16
11 RPMAPWR 0.17
12 RPRAPWM 0.17
13 RPMAPYM 0.17
14 RPMAKMM 0.18
15 RPFAPMF 0.2
16 RPMCPWM 0.2
17 RPMAEWM 0.21
18 RPFAPMR 0.21
19 RPRAPMF 0.22
20 RPRAPMR 0.23
21 RPMAKWM 0.23
22 RPFCPMM 0.24
23 RPMCPMF 0.24
24 RRMAPMM 0.24
25 RPFAEMM 0.25
26 RPMAEMF 0.25
27 RPMCPMR 0.25
28 RPFAPWF 0.25
29 RPFAPYM 0.26
30 RPMAEMR 0.26
31 RPFAPWR 0.26
32 RPRCPMM 0.26
33 RPRAEMM 0.27
34 RPRAPWF 0.27
35 RPFAKMM 0.27
36 RPMAPYF 0.27
37 RPMAKMF 0.28
38 RPRAPWR 0.28
39 RPRAPYM 0.28
40 RPMAPYR 0.28
41 RPMAKMR 0.29
42 RRMAPWM 0.29
43 RPMCEMM 0.29
44 RPRAKMM 0.29
45 RPFCPWM 0.29
46 RKMAPMM 0.3
47 RPMCPWF 0.3
48 RPFAEWM 0.3
49 RPMCPYM 0.31
50 RPMAEWF 0.31
51 RPMCPWR 0.31
52 RPRCPWM 0.31
53 RPMAEWR 0.32
54 RPRAEWM 0.32
55 RPMCKMM 0.32
56 RPMAEYM 0.32
57 RRFAPMM 0.33
58 RPFAKWM 0.33
59 RPMAKWF 0.33
60 RPFCPMF 0.34
61 RRMAPMF 0.34
62 RPMAKWR 0.34
63 RPFCPMR 0.35
64 RPMAKYM 0.35
65 RPFAEMF 0.35
66 RRRAPMM 0.35
67 RRMAPMR 0.35
68 RPRAKWM 0.35
69 RPMCEWM 0.35
70 RKMAPWM 0.36
71 RPFAEMR 0.36
72 RPRCPMF 0.36
73 RPMCKWM 0.37
74 RPFAPYF 0.37
75 RPRAEMF 0.37
76 RPRCPMR 0.37
77 RPFAPYR 0.38
78 RRMCPMM 0.38
79 RPRAEMR 0.38
80 RPRAPYF 0.38
81 RPFAKMF 0.38
82 RPFAKMR 0.39
83 RRFAPWM 0.39
84 RRMAPWF 0.39
85 RPMCEMF 0.39
86 RRMAEMM 0.39
87 RPRAKMF 0.39
88 RPFCPWF 0.39
89 RPRAPYR 0.39
90 RPFCEMM 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRAPMF

4.22

-4.73

-0.51
2 RPMAEMF

5.63

-5.19

0.44
3 RPMAEMR

5.73

-5.13

0.6
4 RPMAPMF

5.72

-5.03

0.69
5 RPFAPMM

5.53

-4.79

0.74
6 RPRAPMM

4.88

-4.13

0.75
7 RPMAEWM

5.73

-4.94

0.79
8 RPMAKMM

5.59

-4.76

0.83
9 RPMAPWR

5.6

-4.76

0.84
10 RRMAPMM

5.77

-4.86

0.91
11 RPFAEMM

5.72

-4.69

1.03
12 RPFAPMF

5.55

-4.49

1.06
13 RPFAPWM

5.72

-4.49

1.23
14 RPFAPWF

5.51

-4.27

1.24
15 RPMAPMR

5.73

-4.48

1.25
16 RPMAPMM

5.82

-4.53

1.29
17 RPMCPMF

4.56

-3.26

1.3
18 RPMAPYM

5.75

-4.44

1.31
19 RPMAKWM

6.05

-4.63

1.42
20 RPRAPMR

4.25

-2.82

1.43
21 RPMAPWF

5.91

-4.46

1.45
22 RPRAPWM

5.14

-3.64

1.5
23 RPMCPWM

4.66

-3.14

1.52
24 RPFAPMR

5.38

-3.8

1.58
25 RPMAEMM

5.64

-3.92

1.72
26 RPMAPWM

7.06

-5.24

1.82
27 RPFAPYM

5.94

-3.91

2.03
28 RPMCPMM

5.56

-3.24

2.32
29 RPMCPMR

5.94

-3.08

2.86
30 RPFCPMM

6.31

-2.39

3.92

 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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