Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 5.487 ΔGbinding -1.224
TOTAL
 4.263
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.962
Van der Waals -3.856 Backbone clash 0.001
Electrostatics 0.496 Helix dipole 0.000
Solvation Polar 4.138 Water bridges 0.046
Solvation Hyd -5.033 Disulfide 0.000
VdW clashes 0.146 Electrost. Kon 0.474
Entropy sc 0.477 Part.cov.bonds 0.000
Entropy mc

2.202

 ΔGstability

81.850
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-8.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_G2B-ABO-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 FWDPIRPR 0.0
2 FWDFIRPR 0.01
3 FWDPIRHR 0.06
4 FWDPIRER 0.06
5 RWDPIRPR 0.07
6 RWDFIRPR 0.08
7 DWDPIRPR 0.08
8 FWDFIRHR 0.08
9 FWDFIRER 0.08
10 DWDFIRPR 0.09
11 FWDYIRPR 0.13
12 RWDPIRER 0.14
13 DWDPIRHR 0.14
14 RWDPIRHR 0.14
15 DWDPIRER 0.14
16 RWDFIRHR 0.15
17 RWDFIRER 0.15
18 DWDFIRHR 0.15
19 DWDFIRER 0.16
20 FWDPIRPF 0.17
21 FWDFIRPF 0.18
22 FWDYIRER 0.2
23 FWDYIRHR 0.2
24 RWDYIRPR 0.21
25 DWDYIRPR 0.21
26 FWDPIRHF 0.23
27 RWDPIRPF 0.24
28 FWDPIREF 0.24
29 DWDPIRPF 0.25
30 FWDFIRHF 0.25
31 FWDFIREF 0.25
32 RWDFIRPF 0.26
33 DWDFIRPF 0.26
34 RWDYIRHR 0.27
35 RWDYIRER 0.27
36 DWDYIRER 0.28
37 DWDYIRHR 0.28
38 FWDYIRPF 0.3
39 RWDPIREF 0.31
40 DWDPIRHF 0.31
41 RWDPIRHF 0.31
42 RWDFIRHF 0.32
43 RWDFIREF 0.32
44 DWDPIREF 0.32
45 DWDFIREF 0.33
46 DWDFIRHF 0.33
47 FWDYIREF 0.37
48 FWDYIRHF 0.37
49 RWDYIRPF 0.38
50 DWDYIRPF 0.38
51 FWDPMRPR 0.39
52 FWDPIRPK 0.39
53 FWDFMRPR 0.41
54 FWDFIRPK 0.41
55 FWDPVRPR 0.44
56 RWDYIRHF 0.44
57 RWDYIREF 0.44
58 DWDYIREF 0.45
59 DWDYIRHF 0.45
60 FWDFVRPR 0.45
61 FWDPMRHR 0.46
62 FWDPIRHK 0.46
63 RWDPMRPR 0.46
64 FWDPMRER 0.46
65 FWDPIREK 0.46
66 DWDPIRPK 0.47
67 DWDPMRPR 0.47
68 FWDFIRHK 0.47
69 FWDFMRER 0.47
70 RWDPIRPK 0.47
71 FWDFIREK 0.47
72 FWDFMRHR 0.47
73 RWDFMRPR 0.48
74 RWDFIRPK 0.48
75 DWDFMRPR 0.48
76 DWDFIRPK 0.48
77 FWDPVRHR 0.5
78 FWDPVRER 0.51
79 RWDPVRPR 0.51
80 FWDFVRER 0.52
81 DWDPVRPR 0.52
82 FWDFVRHR 0.52
83 RWDFVRPR 0.53
84 DWDPMRHR 0.53
85 RWDPIREK 0.53
86 RWDPMRER 0.53
87 FWDYMRPR 0.53
88 FWDYIRPK 0.53
89 RWDPMRHR 0.53
90 RWDPIRHK 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FWDYIRHR

4.18

-7.74

-3.56
2 DWDYIRPR

3.59

-6.74

-3.15
3 DWDPIRHR

4.22

-7.07

-2.85
4 DWDFIRPR

4.18

-6.85

-2.67
5 RWDFIRPR

4.46

-7.11

-2.65
6 FWDYIRPR

3.98

-6.4

-2.42
7 RWDYIRPR

3.87

-6.24

-2.37
8 DWDFIRHR

3.7

-5.98

-2.28
9 RWDPIRPR

3.92

-6.16

-2.24
10 RWDPIRER

3.89

-6.1

-2.21
11 FWDPIRHR

4.22

-6.29

-2.07
12 DWDPIRPF

4.03

-6.1

-2.07
13 DWDPIRPR

3.85

-5.91

-2.06
14 RWDFIRHR

4.27

-6.32

-2.05
15 RWDFIRER

3.72

-5.62

-1.9
16 DWDPIRER

3.5

-5.31

-1.81
17 FWDFIRHF

4.06

-5.77

-1.71
18 DWDFIRER

4.18

-5.84

-1.66
19 FWDFIRHR

3.63

-5.26

-1.63
20 FWDFIRPR

3.39

-4.97

-1.58
21 FWDYIRER

4.48

-6.0

-1.52
22 RWDPIRHR

3.75

-5.25

-1.5
23 RWDPIRPF

3.94

-5.23

-1.29
24 FWDPIRER

3.68

-4.87

-1.19
25 FWDPIRHF

4.36

-5.53

-1.17
26 FWDPIRPR

3.68

-4.54

-0.86
27 FWDFIRER

3.94

-4.77

-0.83
28 FWDFIRPF

3.68

-4.44

-0.76
29 FWDPIREF

4.33

-4.84

-0.51
30 FWDPIRPF

3.81

-3.93

-0.12

 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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