Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_2A28-13.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 6.741 ΔGbinding -0.959
TOTAL
 5.782
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.472
Van der Waals -3.009 Backbone clash 0.334
Electrostatics 0.362 Helix dipole 0.000
Solvation Polar 3.142 Water bridges 0.009
Solvation Hyd -4.009 Disulfide 0.000
VdW clashes 0.545 Electrost. Kon 0.430
Entropy sc 0.473 Part.cov.bonds 0.000
Entropy mc

1.901

 ΔGstability

80.781
       

Predicted ligand sequences for model [BZZ1-D1_2A28-13.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_2A28-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPFEPFRW 0.0
2 RPPEPFRW 0.0
3 RPREPFRW 0.04
4 RPFEPFRF 0.05
5 RPPEPFRF 0.05
6 RPREPFRF 0.09
7 RPPIPFRW 0.09
8 RPFIPFRW 0.09
9 MPPEPFRW 0.1
10 MPFEPFRW 0.1
11 RFPEPFRW 0.12
12 RFFEPFRW 0.12
13 RPRIPFRW 0.14
14 MPREPFRW 0.14
15 RPPIPFRF 0.14
16 RPFIPFRF 0.14
17 MPPEPFRF 0.15
18 MPFEPFRF 0.15
19 RPFEPPRW 0.17
20 RFREPFRW 0.17
21 RPPEPPRW 0.17
22 RFPEPFRF 0.17
23 RPFEPYRW 0.17
24 RFFEPFRF 0.17
25 RPPEPYRW 0.17
26 RPRIPFRF 0.18
27 MPREPFRF 0.19
28 MPPIPFRW 0.19
29 MPFIPFRW 0.19
30 RPREPYRW 0.21
31 RFREPFRF 0.21
32 RPREPPRW 0.21
33 RPFEPPRF 0.22
34 RFPIPFRW 0.22
35 RPPEPPRF 0.22
36 RFFIPFRW 0.22
37 RPFEPYRF 0.22
38 RPPEPYRF 0.22
39 MFPEPFRW 0.23
40 MFFEPFRW 0.23
41 RIFEPFRW 0.24
42 RIPEPFRW 0.24
43 MPPIPFRF 0.24
44 MPRIPFRW 0.24
45 MPFIPFRF 0.24
46 RFRIPFRW 0.26
47 RFPIPFRF 0.26
48 RPPIPYRW 0.26
49 RPREPYRF 0.26
50 RPFIPYRW 0.26
51 RPREPPRF 0.26
52 RPFIPPRW 0.26
53 RFFIPFRF 0.26
54 RPPIPPRW 0.26
55 MPFEPPRW 0.27
56 MPFEPYRW 0.27
57 MPPEPPRW 0.27
58 MFFEPFRF 0.27
59 MFREPFRW 0.27
60 MFPEPFRF 0.27
61 MPPEPYRW 0.27
62 MPRIPFRF 0.28
63 RIREPFRW 0.28
64 RIFEPFRF 0.29
65 RFFEPPRW 0.29
66 RIPEPFRF 0.29
67 RFPEPPRW 0.29
68 RFFEPYRW 0.29
69 RFPEPYRW 0.29
70 RFRIPFRF 0.3
71 MPREPYRW 0.31
72 RPPIPYRF 0.31
73 MPREPPRW 0.31
74 RPFIPYRF 0.31
75 RPFIPPRF 0.31
76 MFREPFRF 0.31
77 RPPIPPRF 0.31
78 RPRIPPRW 0.31
79 RPRIPYRW 0.31
80 MPFEPPRF 0.32
81 MPFEPYRF 0.32
82 MFPIPFRW 0.32
83 MPPEPPRF 0.32
84 MFFIPFRW 0.32
85 MPPEPYRF 0.32
86 RIREPFRF 0.33
87 RIPIPFRW 0.34
88 RFFEPPRF 0.34
89 RFPEPPRF 0.34
90 MIFEPFRW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPFIPFRW

3.72

-11.65

-7.93
2 MPPIPFRW

4.01

-11.62

-7.61
3 RPFEPYRW

4.72

-11.67

-6.95
4 MPFEPFRF

3.33

-10.04

-6.71
5 RPFEPPRW

2.69

-9.16

-6.47
6 RPPIPFRF

3.69

-9.83

-6.14
7 RPPEPFRF

3.02

-9.07

-6.05
8 MPREPFRW

3.11

-8.98

-5.87
9 RPPEPYRW

3.06

-8.88

-5.82
10 MPPEPFRF

2.99

-8.78

-5.79
11 RPREPFRW

3.21

-8.83

-5.62
12 RPFEPFRF

3.16

-8.71

-5.55
13 RPFIPFRW

3.8

-9.34

-5.54
14 MPFEPFRW

3.6

-9.11

-5.51
15 RPFIPFRF

3.85

-9.34

-5.49
16 MPREPFRF

3.7

-9.16

-5.46
17 RPPEPPRW

4.21

-9.61

-5.4
18 RPPEPFRW

3.49

-8.63

-5.14
19 RPREPYRW

4.18

-9.3

-5.12
20 RPFEPFRW

3.54

-8.65

-5.11
21 RPRIPFRW

3.95

-9.0

-5.05
22 RPPIPFRW

4.07

-9.08

-5.01
23 RPRIPFRF

3.9

-8.82

-4.92
24 MPPEPFRW

4.06

-8.48

-4.42
25 RFPEPFRF

3.74

-7.72

-3.98
26 RFREPFRW

4.69

-8.31

-3.62
27 RPREPFRF

4.46

-7.96

-3.5
28 RFFEPFRW

4.41

-7.29

-2.88
29 RFPEPFRW

4.8

-7.43

-2.63
30 RFFEPFRF

4.72

-6.97

-2.25

 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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