Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-19.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
poly-Ala
A
 A
A
A
A
G
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 4.543 ΔGbinding 1.162
TOTAL
 5.705
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.688
Van der Waals -5.284 Backbone clash 0.021
Electrostatics 0.713 Helix dipole 0.000
Solvation Polar 6.025 Water bridges -0.008
Solvation Hyd -7.356 Disulfide 0.000
VdW clashes 2.441 Electrost. Kon 0.604
Entropy sc 0.775 Part.cov.bonds 0.000
Entropy mc

3.839

 ΔGstability

59.569
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-19.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_G2B-ABO-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRTPRGRRR 0.0
2 RMTPRGRRR 0.12
3 RRTPRGRKR 0.14
4 RWTPRGRRR 0.22
5 RMTPRGRKR 0.27
6 RRTPRGRRK 0.3
7 RRTPRGRRI 0.36
8 RWTPRGRKR 0.36
9 RRTPRGRRL 0.37
10 RRTPRGYRR 0.4
11 RRSPRGRRR 0.41
12 RMTPRGRRK 0.42
13 RRTPRGRKK 0.44
14 RNTPRGRRR 0.46
15 RMTPRGRRI 0.48
16 RMTPRGRRL 0.49
17 RRTPRGRKI 0.5
18 RRTPRGRKL 0.51
19 RMTPRGYRR 0.52
20 RWTPRGRRK 0.52
21 RMSPRGRRR 0.53
22 RRTPRGYKR 0.55
23 RRSPRGRKR 0.55
24 RMTPRGRKK 0.56
25 RWTPRGRRI 0.58
26 RWTPRGRRL 0.59
27 RNTPRGRKR 0.61
28 RMTPRGRKI 0.62
29 RWTPRGYRR 0.62
30 RMTPRGRKL 0.63
31 RWSPRGRRR 0.63
32 RWTPRGRKK 0.66
33 RMTPRGYKR 0.67
34 RMSPRGRKR 0.67
35 RRSPRGRRK 0.7
36 RRTPRGYRK 0.7
37 RWTPRGRKI 0.72
38 RWTPRGRKL 0.73
39 RRSPRGRRI 0.76
40 RRTPRGYRI 0.76
41 RNTPRGRRK 0.76
42 RRSPRGRRL 0.77
43 RRTPRGYRL 0.77
44 RWTPRGYKR 0.77
45 RWSPRGRKR 0.77
46 RRSPRGYRR 0.81
47 RMTPRGYRK 0.82
48 RMSPRGRRK 0.82
49 RNTPRGRRI 0.82
50 RNTPRGRRL 0.83
51 RRTPRGYKK 0.84
52 RRSPRGRKK 0.85
53 RNTPRGYRR 0.86
54 RNSPRGRRR 0.87
55 RMTPRGYRI 0.88
56 RMSPRGRRI 0.88
57 RMTPRGYRL 0.89
58 RMSPRGRRL 0.89
59 RRTPRGYKI 0.9
60 RNTPRGRKK 0.9
61 RRSPRGRKI 0.91
62 RRTPRGYKL 0.91
63 RRSPRGRKL 0.92
64 RWSPRGRRK 0.92
65 RWTPRGYRK 0.92
66 RMSPRGYRR 0.93
67 RRSPRGYKR 0.95
68 RMTPRGYKK 0.96
69 RNTPRGRKI 0.96
70 RMSPRGRKK 0.97
71 RNTPRGRKL 0.97
72 RWSPRGRRI 0.98
73 RWTPRGYRI 0.98
74 RWSPRGRRL 0.99
75 RWTPRGYRL 0.99
76 RNSPRGRKR 1.01
77 RNTPRGYKR 1.01
78 RMTPRGYKI 1.02
79 RWSPRGYRR 1.03
80 RMTPRGYKL 1.03
81 RMSPRGRKI 1.03
82 RMSPRGRKL 1.04
83 RWTPRGYKK 1.06
84 RMSPRGYKR 1.07
85 RWSPRGRKK 1.07
86 RRSPRGYRK 1.1
87 RWTPRGYKI 1.12
88 RWTPRGYKL 1.13
89 RWSPRGRKI 1.13
90 RWSPRGRKL 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMTPRGRRR

3.26

-7.95

-4.69
2 RMSPRGRRR

3.2

-7.87

-4.67
3 RRSPRGRRR

3.41

-7.92

-4.51
4 RMTPRGRRK

3.2

-7.07

-3.87
5 RWTPRGYRR

3.27

-7.02

-3.75
6 RRTPRGRRR

3.48

-7.2

-3.72
7 RMTPRGRKR

3.59

-7.3

-3.71
8 RMTPRGRRI

3.91

-7.44

-3.53
9 RNTPRGRRR

4.21

-7.68

-3.47
10 RMTPRGRKK

3.06

-6.37

-3.31
11 RRSPRGRKR

3.37

-6.45

-3.08
12 RWTPRGRRR

4.06

-6.94

-2.88
13 RRTPRGRKR

3.39

-6.2

-2.81
14 RWTPRGRRL

4.37

-7.12

-2.75
15 RRTPRGRRK

3.5

-6.19

-2.69
16 RMTPRGYRR

3.24

-5.93

-2.69
17 RWTPRGRKR

3.43

-5.99

-2.56
18 RRTPRGRKI

4.23

-6.69

-2.46
19 RMTPRGRRL

4.7

-7.14

-2.44
20 RRTPRGYRR

3.34

-5.72

-2.38
21 RRTPRGRKL

4.29

-6.63

-2.34
22 RRTPRGRRI

4.09

-6.36

-2.27
23 RMTPRGRKI

4.11

-6.34

-2.23
24 RRTPRGRRL

3.97

-6.16

-2.19
25 RWTPRGRRK

3.32

-5.51

-2.19
26 RMTPRGRKL

4.39

-6.53

-2.14
27 RWTPRGRRI

4.04

-6.17

-2.13
28 RRTPRGRKK

3.47

-5.42

-1.95
29 RNTPRGRKR

5.02

-6.57

-1.55
30 RRTPRGYKR

3.34

-4.88

-1.54

 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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