Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_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 1.683 ΔGbinding 2.135
TOTAL
 3.818
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.613
Van der Waals -3.015 Backbone clash 0.175
Electrostatics 0.226 Helix dipole 0.000
Solvation Polar 3.127 Water bridges 0.083
Solvation Hyd -3.954 Disulfide 0.000
VdW clashes 3.972 Electrost. Kon 0.206
Entropy sc 0.429 Part.cov.bonds 0.000
Entropy mc

1.722

 ΔGstability

19.227
       

Predicted ligand sequences for model [BZZ1-D2_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-D2_2A28-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRWRRPR 0.0
2 FRPRRPR 0.03
3 FRWRRSR 0.09
4 FRWRRGR 0.1
5 FRPRRSR 0.12
6 FRPRRGR 0.13
7 FRRRRPR 0.18
8 FRWRPPR 0.22
9 FRPRPPR 0.25
10 FRWRRPK 0.26
11 FRRRRSR 0.27
12 FRRRRGR 0.27
13 FRPRRPK 0.29
14 FPWRRPR 0.3
15 FRWRPSR 0.31
16 FRWRPGR 0.32
17 FPPRRPR 0.33
18 FRPRPSR 0.34
19 FRPRPGR 0.35
20 FRWRRSK 0.35
21 FRWRRGK 0.36
22 FRPRRSK 0.38
23 FRPRRGK 0.39
24 FPWRRSR 0.39
25 FPWRRGR 0.4
26 FRRRPPR 0.4
27 RRWRRPR 0.41
28 FPPRRSR 0.42
29 FPPRRGR 0.43
30 RRPRRPR 0.44
31 FRWRFPR 0.44
32 FRRRRPK 0.44
33 FRPRFPR 0.47
34 FRRRPSR 0.48
35 FPRRRPR 0.48
36 FRWRPPK 0.48
37 FRRRPGR 0.49
38 RRWRRSR 0.5
39 FRPRPPK 0.51
40 RRWRRGR 0.51
41 FPWRPPR 0.52
42 FRRRRSK 0.53
43 FRWRFSR 0.53
44 RRPRRSR 0.53
45 FRRRRGK 0.53
46 FRWRFGR 0.54
47 RRPRRGR 0.54
48 FPPRPPR 0.55
49 FRPRFSR 0.56
50 FRPRFGR 0.56
51 FPWRRPK 0.56
52 FPRRRSR 0.57
53 FRWRPSK 0.57
54 FRWRPGK 0.57
55 FPRRRGR 0.58
56 RRRRRPR 0.59
57 FPPRRPK 0.59
58 FRPRPGK 0.6
59 FRPRPSK 0.6
60 FRRRFPR 0.61
61 FPWRPSR 0.61
62 FPWRPGR 0.62
63 RRWRPPR 0.63
64 FPPRPSR 0.64
65 FPPRPGR 0.65
66 FPWRRSK 0.65
67 FPWRRGK 0.66
68 RRPRPPR 0.66
69 FRRRPPK 0.66
70 RRWRRPK 0.67
71 FPPRRSK 0.68
72 RRRRRSR 0.68
73 RRRRRGR 0.69
74 FPPRRGK 0.69
75 FRWRFPK 0.7
76 FRRRFSR 0.7
77 RRPRRPK 0.7
78 FPRRPPR 0.7
79 FRRRFGR 0.71
80 RPWRRPR 0.72
81 RRWRPSR 0.72
82 RRWRPGR 0.73
83 FRPRFPK 0.73
84 FRRRPSK 0.74
85 FPRRRPK 0.74
86 FPWRFPR 0.74
87 RPPRRPR 0.75
88 RRPRPSR 0.75
89 FRRRPGK 0.75
90 RRWRRSK 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRPRPPR

2.41

-6.69

-4.28
2 FPPRRGR

2.91

-7.12

-4.21
3 FRRRPPR

2.95

-6.61

-3.66
4 FRWRPSR

2.83

-6.38

-3.55
5 FPPRRPR

2.76

-6.28

-3.52
6 FPPRRSR

2.89

-6.39

-3.5
7 FRWRPPR

2.7

-6.19

-3.49
8 FPWRRPR

2.97

-6.43

-3.46
9 FPWRRSR

3.02

-6.33

-3.31
10 FRPRPGR

2.7

-5.95

-3.25
11 FRPRPSR

3.14

-6.27

-3.13
12 FRPRRGR

2.97

-6.02

-3.05
13 FRWRPGR

2.75

-5.66

-2.91
14 FRRRRGR

3.33

-6.18

-2.85
15 FPWRRGR

3.37

-6.22

-2.85
16 FRWRRGR

3.17

-5.92

-2.75
17 FRRRRPR

3.38

-5.93

-2.55
18 FRWRRPR

3.02

-5.39

-2.37
19 FRPRRSK

3.17

-5.48

-2.31
20 RRWRRPR

3.36

-5.66

-2.3
21 FRPRRSR

3.59

-5.87

-2.28
22 FRPRRPR

3.14

-5.35

-2.21
23 RRPRRPR

3.01

-5.15

-2.14
24 FRWRRSR

3.39

-5.37

-1.98
25 FRWRRGK

3.54

-5.48

-1.94
26 FRRRRSR

3.25

-5.18

-1.93
27 FRPRRPK

3.12

-4.96

-1.84
28 FRPRRGK

3.36

-5.06

-1.7
29 FRWRRPK

3.47

-5.15

-1.68
30 FRWRRSK

3.38

-4.91

-1.53

 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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