Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-23.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 4.173 ΔGbinding -2.055
TOTAL
 2.118
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.235
Van der Waals -2.021 Backbone clash 0.000
Electrostatics -0.159 Helix dipole 0.000
Solvation Polar 2.479 Water bridges -0.190
Solvation Hyd -2.660 Disulfide 0.000
VdW clashes 0.483 Electrost. Kon -0.163
Entropy sc 0.671 Part.cov.bonds 0.000
Entropy mc

1.819

 ΔGstability

86.412
       

Predicted ligand sequences for model [BZZ1-D1_2A28-23.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_2A28-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRPPWP 0.0
2 RPKPPWP 0.05
3 RPRPPWH 0.13
4 RPLPPWP 0.17
5 RPRPPRP 0.18
6 RPRPRWP 0.18
7 RPKPPWH 0.18
8 RPKPPRP 0.22
9 RPKPRWP 0.23
10 RPRPPWY 0.29
11 RPLPPWH 0.3
12 RPRPPRH 0.31
13 RKRPPWP 0.31
14 RPRPRWH 0.31
15 RQRPPWP 0.31
16 RPRPEWP 0.32
17 RPKPPWY 0.34
18 RQKPPWP 0.35
19 RPLPPRP 0.35
20 RKKPPWP 0.35
21 RPLPRWP 0.35
22 RPRPRRP 0.36
23 RPKPPRH 0.36
24 RPKPRWH 0.36
25 RPKPEWP 0.37
26 RPKPRRP 0.4
27 KPRPPWP 0.43
28 RKRPPWH 0.44
29 RQRPPWH 0.44
30 RPRPEWH 0.45
31 RPLPPWY 0.46
32 RPRPPRY 0.47
33 RPRPRWY 0.47
34 KPKPPWP 0.48
35 RPLPPRH 0.48
36 RKRPPRP 0.48
37 RKLPPWP 0.48
38 RQLPPWP 0.48
39 RQRPPRP 0.48
40 RPLPRWH 0.48
41 RQKPPWH 0.49
42 RPRPRRH 0.49
43 RKKPPWH 0.49
44 RQRPRWP 0.49
45 RKRPRWP 0.49
46 RPLPEWP 0.49
47 RPKPEWH 0.5
48 RPRPERP 0.5
49 RPKPPRY 0.51
50 RPKPRWY 0.52
51 RQKPPRP 0.53
52 RQKPRWP 0.53
53 RPLPRRP 0.53
54 RKKPRWP 0.53
55 RKKPPRP 0.53
56 RPKPRRH 0.54
57 RPKPERP 0.55
58 KPRPPWH 0.57
59 RKRPPWY 0.6
60 RQRPPWY 0.6
61 KPKPPWH 0.61
62 KPLPPWP 0.61
63 RQLPPWH 0.61
64 KPRPPRP 0.61
65 RKLPPWH 0.61
66 KPRPRWP 0.61
67 RPRPEWY 0.61
68 RKRPPRH 0.62
69 RQRPPRH 0.62
70 RQRPRWH 0.62
71 RKRPRWH 0.62
72 RKRPEWP 0.63
73 RQRPEWP 0.63
74 RPRPERH 0.63
75 RPLPEWH 0.63
76 RPLPPRY 0.64
77 RPLPRWY 0.64
78 RQKPPWY 0.65
79 RPRPRRY 0.65
80 RKKPPWY 0.65
81 RQLPPRP 0.66
82 RPKPEWY 0.66
83 RKRPRRP 0.66
84 RPLPRRH 0.66
85 KPKPRWP 0.66
86 RKLPPRP 0.66
87 RKLPRWP 0.66
88 RQKPPRH 0.66
89 KPKPPRP 0.66
90 RQLPRWP 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLPRWP

3.83

-11.01

-7.18
2 RPLPPWP

4.22

-10.46

-6.24
3 RKKPPWP

2.48

-8.4

-5.92
4 RPKPRRP

4.18

-10.08

-5.9
5 RPLPPRP

3.38

-9.28

-5.9
6 RQKPPWP

3.17

-8.96

-5.79
7 RKRPPWP

3.59

-9.35

-5.76
8 RPRPPWP

4.01

-9.38

-5.37
9 RQRPPWP

3.28

-8.58

-5.3
10 RPKPRWH

3.78

-9.02

-5.24
11 KPRPPWP

2.89

-7.97

-5.08
12 RPKPRWP

4.85

-9.75

-4.9
13 RPKPPRH

3.89

-8.77

-4.88
14 RKRPPWH

3.64

-8.45

-4.81
15 RPKPEWP

4.18

-8.92

-4.74
16 RPLPPWH

5.56

-9.99

-4.43
17 RPRPEWP

4.75

-8.78

-4.03
18 RPRPRRP

4.13

-8.05

-3.92
19 RQRPPWH

4.2

-7.97

-3.77
20 RPRPRWH

5.1

-8.84

-3.74
21 RPKPPWP

5.02

-8.74

-3.72
22 RPKPPRP

4.05

-7.72

-3.67
23 RPRPRWP

5.44

-9.11

-3.67
24 RPRPPWY

4.14

-7.65

-3.51
25 RPKPPWY

4.68

-8.04

-3.36
26 RPRPPRP

4.65

-7.87

-3.22
27 RPRPPWH

4.68

-7.69

-3.01
28 RPRPEWH

5.34

-8.19

-2.85
29 RPKPPWH

5.23

-8.07

-2.84
30 RPRPPRH

4.62

-7.44

-2.82

 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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