Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-9.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 5.760 ΔGbinding -1.303
TOTAL
 4.457
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.476
Van der Waals -3.603 Backbone clash -0.000
Electrostatics 0.409 Helix dipole 0.000
Solvation Polar 3.798 Water bridges -0.129
Solvation Hyd -4.805 Disulfide 0.000
VdW clashes 0.034 Electrost. Kon 0.407
Entropy sc 0.435 Part.cov.bonds 0.000
Entropy mc

2.949

 ΔGstability

80.944
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFIPPRM 0.0
2 FRPIPPRM 0.06
3 KRFIPPRM 0.08
4 FRYIPPRM 0.09
5 FRFRPPRM 0.1
6 FRFVPPRM 0.11
7 FRFIPRRM 0.14
8 KRPIPPRM 0.14
9 MRFIPPRM 0.15
10 FRPRPPRM 0.15
11 KRYIPPRM 0.17
12 FLFIPPRM 0.17
13 FRPVPPRM 0.17
14 KRFRPPRM 0.18
15 FRYRPPRM 0.19
16 FRPIPRRM 0.2
17 FRYVPPRM 0.2
18 KRFVPPRM 0.2
19 MRPIPPRM 0.21
20 FRFIPLRM 0.22
21 KRFIPRRM 0.22
22 KRPRPPRM 0.23
23 FRYIPRRM 0.23
24 FLPIPPRM 0.23
25 MRYIPPRM 0.24
26 FRFRPRRM 0.24
27 MRFRPPRM 0.25
28 KRPVPPRM 0.25
29 KLFIPPRM 0.25
30 FLYIPPRM 0.26
31 FRFVPRRM 0.26
32 MRFVPPRM 0.27
33 FLFRPPRM 0.27
34 KRYRPPRM 0.27
35 FRPIPLRM 0.28
36 KRYVPPRM 0.28
37 KRPIPRRM 0.28
38 FLFVPPRM 0.29
39 MRFIPRRM 0.3
40 FRPRPRRM 0.3
41 KRFIPLRM 0.3
42 FRYIPLRM 0.31
43 KRYIPRRM 0.31
44 MRPRPPRM 0.31
45 FRPVPRRM 0.31
46 KLPIPPRM 0.31
47 KRFRPRRM 0.32
48 FLFIPRRM 0.32
49 FRFRPLRM 0.32
50 MRPVPPRM 0.32
51 FRYRPRRM 0.33
52 MLFIPPRM 0.33
53 FLPRPPRM 0.33
54 KRFVPRRM 0.34
55 FRFVPLRM 0.34
56 KLYIPPRM 0.34
57 MRYRPPRM 0.34
58 FLPVPPRM 0.34
59 FRYVPRRM 0.35
60 KLFRPPRM 0.35
61 MRPIPRRM 0.35
62 FLYRPPRM 0.36
63 MRYVPPRM 0.36
64 KRPIPLRM 0.36
65 FLPIPRRM 0.37
66 KLFVPPRM 0.37
67 FRPRPLRM 0.38
68 MRFIPLRM 0.38
69 FLYVPPRM 0.38
70 KRPRPRRM 0.38
71 MLPIPPRM 0.38
72 FRPVPLRM 0.39
73 MRYIPRRM 0.39
74 MRFRPRRM 0.39
75 KRPVPRRM 0.39
76 KRYIPLRM 0.39
77 KRFRPLRM 0.4
78 FLFIPLRM 0.4
79 KLFIPRRM 0.4
80 FRYRPLRM 0.41
81 FLFRPRRM 0.41
82 KRYRPRRM 0.41
83 FLYIPRRM 0.41
84 MLYIPPRM 0.41
85 MRFVPRRM 0.41
86 KLPRPPRM 0.41
87 KLPVPPRM 0.42
88 MLFRPPRM 0.42
89 FRFIIPRM 0.42
90 KRFVPLRM 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FRPIPRRM

2.62

-10.98

-8.36
2 MRPIPPRM

2.61

-10.25

-7.64
3 FLPIPPRM

2.89

-10.49

-7.6
4 MRFIPPRM

2.63

-9.91

-7.28
5 FLYIPPRM

2.89

-10.15

-7.26
6 KRPVPPRM

2.68

-9.84

-7.16
7 FRFIPLRM

2.7

-9.84

-7.14
8 KLFIPPRM

2.66

-9.75

-7.09
9 FRPIPPRM

2.84

-9.9

-7.06
10 FRYVPPRM

2.73

-9.74

-7.01
11 KRPIPPRM

2.85

-9.79

-6.94
12 FRFIPRRM

2.82

-9.75

-6.93
13 FRYRPPRM

2.8

-9.71

-6.91
14 FRYIPPRM

3.13

-10.02

-6.89
15 FRPRPPRM

2.45

-9.32

-6.87
16 FRFVPPRM

2.63

-9.46

-6.83
17 FLFIPPRM

3.09

-9.88

-6.79
18 MRYIPPRM

2.79

-9.53

-6.74
19 MRFRPPRM

2.66

-9.35

-6.69
20 KRYIPPRM

2.52

-9.14

-6.62
21 KRFIPPRM

2.65

-9.26

-6.61
22 KRFIPRRM

3.0

-9.57

-6.57
23 KRFVPPRM

2.51

-8.99

-6.48
24 FRYIPRRM

3.24

-9.66

-6.42
25 FRFIPPRM

3.02

-9.26

-6.24
26 FRFRPPRM

2.89

-9.0

-6.11
27 KRPRPPRM

2.93

-9.03

-6.1
28 KRFRPPRM

2.56

-8.54

-5.98
29 FRFRPRRM

3.13

-9.09

-5.96
30 FRPVPPRM

3.54

-9.22

-5.68

 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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