Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-17.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 3.654 ΔGbinding -0.783
TOTAL
 2.871
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.503
Van der Waals -4.658 Backbone clash 0.026
Electrostatics 0.643 Helix dipole 0.000
Solvation Polar 5.089 Water bridges -0.058
Solvation Hyd -6.575 Disulfide 0.000
VdW clashes 2.813 Electrost. Kon 0.610
Entropy sc 0.828 Part.cov.bonds 0.000
Entropy mc

2.573

 ΔGstability

51.873
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-17.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-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWTRGMSF 0.0
2 FRFTRGMSF 0.04
3 FRWTRGKSF 0.07
4 FRWTRGPSF 0.08
5 FRWTRGMSR 0.1
6 FRFTRGKSF 0.11
7 FRFTRGPSF 0.12
8 FRFTRGMSR 0.14
9 FRWTRGMSL 0.15
10 FRWTRGKSR 0.17
11 FRWTRGPSR 0.17
12 FRFTRGMSL 0.19
13 FRFTRGKSR 0.21
14 FRFTRGPSR 0.21
15 FRWTRGKSL 0.22
16 FRWTRGPSL 0.23
17 FRFTRGKSL 0.26
18 FRFTRGPSL 0.27
19 FRITRGMSF 0.3
20 KRWTRGMSF 0.3
21 KRFTRGMSF 0.34
22 FRITRGKSF 0.37
23 KRWTRGKSF 0.37
24 FEWTRGMSF 0.38
25 KRWTRGPSF 0.38
26 FRITRGPSF 0.38
27 RRWTRGMSF 0.4
28 FRITRGMSR 0.4
29 KRWTRGMSR 0.4
30 KRFTRGKSF 0.41
31 KRFTRGPSF 0.42
32 FEFTRGMSF 0.42
33 KRFTRGMSR 0.44
34 RRFTRGMSF 0.44
35 FRITRGMSL 0.45
36 FRWPRGMSF 0.45
37 FEWTRGKSF 0.45
38 KRWTRGMSL 0.45
39 FEWTRGPSF 0.45
40 FEWTRGMSR 0.47
41 FRITRGPSR 0.47
42 KRWTRGPSR 0.47
43 FRITRGKSR 0.47
44 RRWTRGPSF 0.47
45 RRWTRGKSF 0.47
46 KRWTRGKSR 0.47
47 FPWTRGMSF 0.48
48 RRWTRGMSR 0.49
49 KRFTRGMSL 0.49
50 FRFPRGMSF 0.49
51 FEFTRGPSF 0.49
52 FEFTRGKSF 0.49
53 RRFTRGPSF 0.51
54 RRFTRGKSF 0.51
55 KRFTRGKSR 0.51
56 KRFTRGPSR 0.51
57 FRWPRGKSF 0.52
58 FPFTRGMSF 0.52
59 FEFTRGMSR 0.52
60 FRWPRGPSF 0.53
61 FEWTRGMSL 0.53
62 KRWTRGPSL 0.53
63 FRITRGPSL 0.53
64 FRITRGKSL 0.53
65 KRWTRGKSL 0.53
66 RRFTRGMSR 0.54
67 RRWTRGMSL 0.55
68 FRWPRGMSR 0.55
69 FPWTRGKSF 0.55
70 FEWTRGKSR 0.55
71 FEWTRGPSR 0.55
72 KRFTRGKSL 0.56
73 FPWTRGPSF 0.56
74 FRFPRGKSF 0.56
75 RRWTRGPSR 0.57
76 RRWTRGKSR 0.57
77 FEFTRGMSL 0.57
78 KRFTRGPSL 0.57
79 FRFPRGPSF 0.57
80 FPWTRGMSR 0.58
81 FEFTRGKSR 0.58
82 FRFPRGMSR 0.59
83 FEFTRGPSR 0.59
84 RRFTRGMSL 0.59
85 FPFTRGKSF 0.59
86 RRFTRGKSR 0.6
87 KRITRGMSF 0.6
88 FPFTRGPSF 0.6
89 FEWTRGKSL 0.6
90 RRFTRGPSR 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRWTRGPSR

4.69

-6.8

-2.11
2 FRFTRGMSR

3.94

-5.91

-1.97
3 FRWTRGMSF

3.14

-5.03

-1.89
4 FRFTRGPSF

4.5

-6.32

-1.82
5 FRFTRGKSF

4.49

-6.18

-1.69
6 FRITRGPSF

4.43

-6.11

-1.68
7 FRWTRGKSL

4.22

-5.86

-1.64
8 FRFTRGKSR

4.96

-6.59

-1.63
9 FRITRGKSF

4.78

-6.16

-1.38
10 FRWTRGKSR

4.63

-5.82

-1.19
11 FRFTRGMSF

4.57

-5.71

-1.14
12 FRWTRGKSF

4.52

-5.55

-1.03
13 FRITRGMSR

4.8

-5.63

-0.83
14 KRWTRGKSF

4.23

-5.02

-0.79
15 FEWTRGMSF

5.01

-5.7

-0.69
16 RRWTRGMSF

4.12

-4.74

-0.62
17 KRWTRGMSR

4.06

-4.58

-0.52
18 FRFTRGKSL

5.46

-5.73

-0.27
19 FRFTRGPSL

4.96

-5.22

-0.26
20 KRFTRGMSF

5.25

-5.5

-0.25
21 FRWTRGMSR

4.67

-4.77

-0.1
22 KRFTRGKSF

4.2

-4.01

0.19
23 FRFTRGPSR

5.78

-5.5

0.28
24 FRITRGMSF

4.67

-4.34

0.33
25 KRWTRGPSF

5.27

-4.9

0.37
26 FRWTRGPSL

6.05

-5.58

0.47
27 FRWTRGPSF

5.18

-4.63

0.55
28 FRWTRGMSL

5.38

-4.63

0.75
29 KRWTRGMSF

5.25

-4.18

1.07
30 FRFTRGMSL

6.23

-4.56

1.67

 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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