Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-11.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 3.242 ΔGbinding -0.785
TOTAL
 2.457
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.683
Van der Waals -3.260 Backbone clash 0.249
Electrostatics 0.334 Helix dipole 0.000
Solvation Polar 3.334 Water bridges 0.015
Solvation Hyd -4.377 Disulfide 0.000
VdW clashes 0.644 Electrost. Kon 0.361
Entropy sc 0.468 Part.cov.bonds 0.000
Entropy mc

2.289

 ΔGstability

81.634
       

Predicted ligand sequences for model [BZZ1-D1_2A28-11.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_2A28-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIPPR 0.0
2 WPPIPPR 0.01
3 RPPIPGR 0.06
4 WPPIPGR 0.07
5 RPPIPSR 0.17
6 WPPIPSR 0.18
7 MPPIPPR 0.18
8 MPPIPGR 0.24
9 RPRIPPR 0.25
10 RPDIPPR 0.26
11 WPDIPPR 0.27
12 WPRIPPR 0.27
13 RPRIPGR 0.31
14 RPDIPGR 0.32
15 WPRIPGR 0.33
16 WPDIPGR 0.33
17 MPPIPSR 0.35
18 RPRIPSR 0.42
19 MPRIPPR 0.43
20 RPPQPPR 0.43
21 RPDIPSR 0.43
22 WPDIPSR 0.44
23 WPRIPSR 0.44
24 WPPQPPR 0.44
25 MPDIPPR 0.44
26 RRPIPPR 0.49
27 MPRIPGR 0.49
28 RPPQPGR 0.49
29 MPDIPGR 0.5
30 WPPQPGR 0.5
31 WRPIPPR 0.51
32 RRPIPGR 0.55
33 WRPIPGR 0.57
34 RPPQPSR 0.6
35 MPRIPSR 0.6
36 MPDIPSR 0.61
37 WPPQPSR 0.61
38 MPPQPPR 0.61
39 RRPIPSR 0.66
40 MPPQPGR 0.67
41 MRPIPPR 0.67
42 RPRQPPR 0.68
43 WRPIPSR 0.68
44 RPDQPPR 0.69
45 WPDQPPR 0.7
46 WPRQPPR 0.7
47 MRPIPGR 0.73
48 RPRQPGR 0.74
49 RRRIPPR 0.74
50 RPDQPGR 0.75
51 RRDIPPR 0.75
52 WPDQPGR 0.76
53 WRDIPPR 0.76
54 WPRQPGR 0.76
55 WRRIPPR 0.76
56 MPPQPSR 0.78
57 RRRIPGR 0.8
58 RRDIPGR 0.81
59 WRDIPGR 0.82
60 WRRIPGR 0.82
61 MRPIPSR 0.84
62 RPRQPSR 0.85
63 RPDQPSR 0.86
64 MPRQPPR 0.86
65 WPRQPSR 0.87
66 MPDQPPR 0.87
67 WPDQPSR 0.87
68 RRRIPSR 0.91
69 MPRQPGR 0.92
70 RRPQPPR 0.92
71 MRRIPPR 0.92
72 RRDIPSR 0.92
73 WRRIPSR 0.93
74 WRDIPSR 0.93
75 MRDIPPR 0.93
76 MPDQPGR 0.93
77 WRPQPPR 0.94
78 MRRIPGR 0.98
79 RRPQPGR 0.98
80 MRDIPGR 0.99
81 WRPQPGR 1.0
82 MPRQPSR 1.03
83 MPDQPSR 1.04
84 MRRIPSR 1.09
85 RRPQPSR 1.09
86 MRPQPPR 1.1
87 MRDIPSR 1.1
88 WRPQPSR 1.11
89 MRPQPGR 1.16
90 RRRQPPR 1.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WPPIPPR

2.91

-9.52

-6.61
2 MPPIPGR

2.42

-8.91

-6.49
3 RPDIPPR

2.91

-9.22

-6.31
4 WPPIPGR

3.0

-9.22

-6.22
5 MPDIPPR

3.28

-9.5

-6.22
6 RPRIPPR

2.36

-8.58

-6.22
7 WPDIPGR

2.32

-8.49

-6.17
8 MPRIPPR

2.72

-8.82

-6.1
9 MPPIPSR

2.53

-8.57

-6.04
10 RPDIPGR

2.78

-8.75

-5.97
11 WPPQPGR

2.02

-7.97

-5.95
12 RPPIPPR

2.5

-8.45

-5.95
13 WPRIPSR

2.84

-8.63

-5.79
14 RPPIPGR

2.69

-8.46

-5.77
15 RPPQPPR

3.36

-9.08

-5.72
16 WPRIPPR

3.64

-9.36

-5.72
17 WPRIPGR

3.3

-9.0

-5.7
18 WPPIPSR

2.75

-8.44

-5.69
19 RPPIPSR

2.86

-8.5

-5.64
20 RPPQPGR

2.66

-8.23

-5.57
21 WPDIPSR

3.62

-9.14

-5.52
22 MPRIPGR

2.88

-8.23

-5.35
23 WPDIPPR

3.23

-8.52

-5.29
24 RRPIPPR

3.01

-8.14

-5.13
25 MPDIPGR

2.96

-7.98

-5.02
26 RPDIPSR

3.43

-8.45

-5.02
27 WPPQPPR

2.94

-7.91

-4.97
28 MPPIPPR

2.79

-7.67

-4.88
29 RPRIPGR

3.66

-8.43

-4.77
30 RPRIPSR

3.3

-7.66

-4.36

 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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