Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_1ZUU-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 6.305 ΔGbinding 7.208
TOTAL
 13.513
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.036
Van der Waals -4.180 Backbone clash 2.227
Electrostatics 0.365 Helix dipole 0.000
Solvation Polar 4.952 Water bridges 0.008
Solvation Hyd -5.379 Disulfide 0.000
VdW clashes 7.301 Electrost. Kon 0.402
Entropy sc 0.625 Part.cov.bonds 0.000
Entropy mc

3.354

 ΔGstability

35.472
       

Predicted ligand sequences for model [BZZ1-D1_1ZUU-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_1ZUU-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPPIERR 0.0
2 RPPIERR 0.02
3 MPPIRRR 0.1
4 MFPIERR 0.12
5 RPPIRRR 0.12
6 RFPIERR 0.14
7 MPEIERR 0.16
8 RPEIERR 0.17
9 MPDIERR 0.18
10 RPDIERR 0.2
11 FPPIERR 0.21
12 MFPIRRR 0.22
13 RFPIRRR 0.24
14 MIPIERR 0.24
15 RIPIERR 0.25
16 MPEIRRR 0.26
17 MFEIERR 0.28
18 RPEIRRR 0.28
19 MPDIRRR 0.29
20 MPPIPRR 0.29
21 RPDIRRR 0.3
22 RFEIERR 0.3
23 MFDIERR 0.31
24 RPPIPRR 0.31
25 FPPIRRR 0.32
26 RFDIERR 0.32
27 FFPIERR 0.34
28 MIPIRRR 0.34
29 RIPIRRR 0.35
30 FPEIERR 0.37
31 MFEIRRR 0.38
32 MIEIERR 0.4
33 FPDIERR 0.4
34 RFEIRRR 0.4
35 MFPIPRR 0.41
36 MFDIRRR 0.41
37 RIEIERR 0.41
38 RFDIRRR 0.42
39 MIDIERR 0.42
40 RFPIPRR 0.43
41 FFPIRRR 0.44
42 RIDIERR 0.44
43 MPEIPRR 0.45
44 FIPIERR 0.45
45 RPEIPRR 0.46
46 FPEIRRR 0.47
47 MPDIPRR 0.47
48 MPPMERR 0.48
49 MIEIRRR 0.49
50 RPDIPRR 0.49
51 FPDIRRR 0.5
52 RPPMERR 0.5
53 FFEIERR 0.5
54 FPPIPRR 0.51
55 RIEIRRR 0.51
56 FFDIERR 0.52
57 MIDIRRR 0.52
58 MIPIPRR 0.53
59 RIPIPRR 0.54
60 RIDIRRR 0.54
61 FIPIRRR 0.55
62 MFEIPRR 0.57
63 MPPMRRR 0.58
64 RFEIPRR 0.59
65 RPPMRRR 0.6
66 MFDIPRR 0.6
67 FFEIRRR 0.6
68 FIEIERR 0.61
69 MFPMERR 0.61
70 RFDIPRR 0.61
71 RFPMERR 0.62
72 FFDIRRR 0.62
73 FFPIPRR 0.63
74 MPEMERR 0.64
75 FIDIERR 0.64
76 FPEIPRR 0.66
77 RPEMERR 0.66
78 MPDMERR 0.67
79 FPDIPRR 0.69
80 RPDMERR 0.69
81 MIEIPRR 0.69
82 RIEIPRR 0.7
83 FPPMERR 0.7
84 MFPMRRR 0.71
85 MIDIPRR 0.71
86 FIEIRRR 0.71
87 RFPMRRR 0.72
88 MIPMERR 0.72
89 RIDIPRR 0.73
90 RIPMERR 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPPIPRR

4.29

-3.67

0.62
2 MPEIRRR

4.84

-3.11

1.73
3 FPPIERR

4.7

-2.74

1.96
4 FPPIRRR

4.99

-2.96

2.03
5 MPEIERR

4.65

-2.4

2.25
6 FPEIERR

4.64

-2.1

2.54
7 MPPIRRR

5.59

-3.04

2.55
8 RPEIERR

5.35

-2.6

2.75
9 MPDIRRR

6.01

-3.18

2.83
10 RPDIERR

5.44

-2.57

2.87
11 MFPIRRR

4.65

-1.75

2.9
12 RPPIRRR

5.0

-2.08

2.92
13 MPPIERR

5.18

-2.22

2.96
14 MFEIERR

5.24

-2.17

3.07
15 RFDIERR

4.99

-1.89

3.1
16 RFPIERR

5.15

-1.95

3.2
17 RFPIRRR

5.56

-2.34

3.22
18 RPDIRRR

5.71

-2.39

3.32
19 MFPIERR

5.41

-2.07

3.34
20 MPDIERR

5.27

-1.8

3.47
21 RPEIRRR

5.38

-1.8

3.58
22 RPPIERR

5.36

-1.77

3.59
23 MFDIERR

5.51

-1.89

3.62
24 RIPIRRR

6.3

-2.57

3.73
25 FFPIERR

5.32

-1.59

3.73
26 RFEIERR

5.2

-1.46

3.74
27 RPPIPRR

8.2

-3.48

4.72
28 MIPIERR

5.98

-1.16

4.82
29 MIPIRRR

7.7

-2.45

5.25
30 RIPIERR

6.29

-0.81

5.48

 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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