Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-27.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
G
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 4.108 ΔGbinding -2.974
TOTAL
 1.134
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.249
Van der Waals -3.887 Backbone clash 0.110
Electrostatics -0.397 Helix dipole 0.000
Solvation Polar 4.621 Water bridges -0.054
Solvation Hyd -4.957 Disulfide 0.000
VdW clashes 1.493 Electrost. Kon -0.473
Entropy sc 1.117 Part.cov.bonds 0.000
Entropy mc

1.864

 ΔGstability

50.159
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRPPPRRR 0.0
2 RRRPPPRRP 0.02
3 KRRPPPRRR 0.06
4 RRRPPDRRR 0.09
5 KRRPPPRRP 0.09
6 RRRPPPRRW 0.11
7 RRRPPDRRP 0.11
8 RRPPPPRRR 0.11
9 RRPPPPRRP 0.14
10 KRRPPDRRR 0.15
11 RRHPPPRRR 0.16
12 KRRPPPRRW 0.17
13 RRHPPPRRP 0.18
14 KRRPPDRRP 0.18
15 KRPPPPRRR 0.18
16 KRPPPPRRP 0.2
17 RRRPPDRRW 0.2
18 RRPPPDRRR 0.2
19 MRRPPPRRR 0.22
20 KRHPPPRRR 0.22
21 RRPPPPRRW 0.22
22 RRRPPLRRR 0.23
23 RRPPPDRRP 0.23
24 MRRPPPRRP 0.24
25 KRHPPPRRP 0.24
26 RRHPPDRRR 0.25
27 KRRPPDRRW 0.26
28 RRRPPLRRP 0.26
29 RRHPPPRRW 0.27
30 KRPPPDRRR 0.27
31 RRHPPDRRP 0.27
32 KRPPPPRRW 0.28
33 KRPPPDRRP 0.29
34 KRRPPLRRR 0.3
35 MRRPPDRRR 0.31
36 RRPPPDRRW 0.31
37 KRHPPDRRR 0.31
38 KRRPPLRRP 0.32
39 MRRPPPRRW 0.32
40 MRRPPDRRP 0.33
41 MRPPPPRRR 0.33
42 KRHPPPRRW 0.33
43 RRRPIPRRR 0.34
44 RRRPPLRRW 0.34
45 KRHPPDRRP 0.34
46 RRPPPLRRR 0.35
47 MRPPPPRRP 0.35
48 RRHPPDRRW 0.35
49 RRRPIPRRP 0.36
50 MRHPPPRRR 0.37
51 KRPPPDRRW 0.37
52 RRPPPLRRP 0.37
53 RRHPPLRRR 0.39
54 RRRPPPMRR 0.39
55 MRHPPPRRP 0.4
56 KRRPPLRRW 0.4
57 RRRPPPNRR 0.4
58 KRRPIPRRR 0.4
59 MRRPPDRRW 0.41
60 KRPPPLRRR 0.41
61 RRHPPLRRP 0.41
62 RRRPPPMRP 0.41
63 MRPPPDRRR 0.42
64 KRHPPDRRW 0.42
65 RRRPIDRRR 0.43
66 MRPPPPRRW 0.43
67 RRRPPPNRP 0.43
68 KRRPIPRRP 0.43
69 KRPPPLRRP 0.43
70 MRPPPDRRP 0.44
71 RRRPIPRRW 0.45
72 RRRPIDRRP 0.45
73 RRPPPLRRW 0.45
74 KRRPPPMRR 0.45
75 RRPPIPRRR 0.45
76 MRRPPLRRR 0.45
77 MRHPPDRRR 0.46
78 KRHPPLRRR 0.46
79 RRRPPDMRR 0.47
80 KRRPPPMRP 0.47
81 KRRPPPNRR 0.47
82 MRRPPLRRP 0.47
83 MRHPPPRRW 0.48
84 KRHPPLRRP 0.48
85 RRPPIPRRP 0.48
86 MRHPPDRRP 0.49
87 KRRPIDRRR 0.49
88 RRRPPDNRR 0.49
89 KRRPPPNRP 0.49
90 RRRPPPMRW 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRHPPPRRW

3.13

-12.14

-9.01
2 RRHPPPRRP

2.73

-10.93

-8.2
3 RRPPPPRRP

2.98

-10.61

-7.63
4 MRRPPPRRP

3.72

-11.3

-7.58
5 MRRPPPRRR

4.11

-11.41

-7.3
6 KRHPPPRRP

3.21

-10.12

-6.91
7 RRHPPPRRR

3.32

-10.19

-6.87
8 RRPPPPRRR

3.23

-10.07

-6.84
9 RRRPPPRRP

3.83

-10.66

-6.83
10 KRPPPPRRP

3.01

-9.75

-6.74
11 RRRPPPRRR

4.05

-10.51

-6.46
12 RRRPPDRRR

3.58

-10.04

-6.46
13 KRHPPPRRR

3.56

-9.91

-6.35
14 KRRPPPRRP

4.27

-10.52

-6.25
15 RRRPPLRRP

4.17

-10.14

-5.97
16 RRHPPDRRR

4.09

-9.79

-5.7
17 RRRPPLRRR

4.19

-9.64

-5.45
18 RRRPPPRRW

5.02

-10.28

-5.26
19 KRPPPPRRR

3.1

-8.25

-5.15
20 RRRPPDRRP

4.56

-9.66

-5.1
21 RRPPPDRRP

3.67

-8.71

-5.04
22 KRRPPPRRW

4.14

-9.14

-5.0
23 RRPPPPRRW

3.69

-8.68

-4.99
24 KRRPPPRRR

3.68

-8.47

-4.79
25 RRPPPDRRR

4.36

-8.9

-4.54
26 RRRPPDRRW

4.55

-9.01

-4.46
27 KRPPPDRRR

3.78

-8.23

-4.45
28 KRRPPDRRW

4.31

-8.26

-3.95
29 KRRPPDRRR

4.52

-7.85

-3.33
30 KRRPPDRRP

4.1

-7.35

-3.25

 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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