Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_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    

(Help)

Intraclash 6.096 ΔGbinding -3.086
TOTAL
 3.010
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.212
Van der Waals -4.359 Backbone clash 0.050
Electrostatics -0.412 Helix dipole 0.000
Solvation Polar 5.366 Water bridges 0.000
Solvation Hyd -5.705 Disulfide 0.000
VdW clashes 2.859 Electrost. Kon -0.458
Entropy sc 1.164 Part.cov.bonds 0.000
Entropy mc

2.072

 ΔGstability

83.480
       

Predicted ligand sequences for model [BZZ1-D1_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-D1_G2B-ABO-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPPPPMRP 0.0
2 RRPPPDMRP 0.01
3 RRPPPPMRR 0.01
4 RRPPPDMRR 0.02
5 RRPPPPHRP 0.03
6 RRPPPDHRP 0.04
7 RRPPPPHRR 0.04
8 RRPPPDHRR 0.05
9 RRPPPPMRW 0.06
10 RRPPPDMRW 0.07
11 RRPPPPHRW 0.09
12 RRPPPDHRW 0.1
13 RRPPPPIRP 0.14
14 RRPPPDIRP 0.15
15 RRPPPPIRR 0.15
16 RRPPPWMRP 0.16
17 RRPPPDIRR 0.16
18 RRPPPWMRR 0.17
19 RRPPPWHRP 0.19
20 RRPPPPIRW 0.2
21 RRPPPWHRR 0.2
22 RRGPPPMRP 0.2
23 RRGPPPMRR 0.2
24 RRPPPDIRW 0.21
25 RRGPPDMRP 0.21
26 RRPPPWMRW 0.22
27 RRGPPDMRR 0.22
28 RRRPPPMRP 0.23
29 RRRPPPMRR 0.23
30 RRGPPPHRP 0.23
31 RRGPPPHRR 0.23
32 RRRPPDMRP 0.24
33 RKPPPPMRP 0.24
34 RRGPPDHRP 0.24
35 RKPPPPMRR 0.25
36 RKPPPDMRP 0.25
37 RRRPPDMRR 0.25
38 RRPPPWHRW 0.25
39 RRGPPDHRR 0.25
40 RKPPPDMRR 0.26
41 RRGPPPMRW 0.26
42 RRRPPPHRP 0.26
43 RRRPPPHRR 0.26
44 RRRPPDHRP 0.27
45 RKPPPPHRP 0.27
46 RRGPPDMRW 0.27
47 RKPPPDHRP 0.28
48 RRRPPDHRR 0.28
49 RKPPPPHRR 0.28
50 RKPPPDHRR 0.29
51 RRGPPPHRW 0.29
52 RRRPPPMRW 0.29
53 RKPPPPMRW 0.3
54 RRPPPWIRP 0.3
55 RRRPPDMRW 0.3
56 RRGPPDHRW 0.3
57 RRPPPWIRR 0.31
58 RKPPPDMRW 0.32
59 RRRPPPHRW 0.32
60 RRGPPPIRP 0.33
61 RRRPPDHRW 0.33
62 RKPPPPHRW 0.33
63 RRGPPPIRR 0.34
64 RKPPPDHRW 0.35
65 RRGPPDIRP 0.35
66 RRGPPDIRR 0.35
67 RRPPPWIRW 0.36
68 RRRPPPIRP 0.36
69 RRGPPWMRP 0.36
70 RRGPPWMRR 0.36
71 RRRPPPIRR 0.37
72 RKPPPPIRP 0.38
73 RRPPWPMRP 0.38
74 RRRPPDIRP 0.38
75 RRRPPDIRR 0.38
76 RRRPPWMRP 0.39
77 RRRPPWMRR 0.39
78 RKPPPPIRR 0.39
79 RKPPPDIRP 0.39
80 RRGPPWHRP 0.39
81 RRGPPWHRR 0.39
82 RRPPWPMRR 0.39
83 RRPPFPMRP 0.39
84 RRPPFPMRR 0.39
85 RRGPPPIRW 0.4
86 RKPPPDIRR 0.4
87 RRPPWDMRP 0.4
88 RRPPFDMRP 0.4
89 RKPPPWMRP 0.4
90 RRPPWPHRP 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRPPPPMRR

3.85

-12.12

-8.27
2 RRGPPDMRR

3.03

-11.26

-8.23
3 RRPPPDMRW

4.01

-12.2

-8.19
4 RRRPPPMRR

4.47

-12.38

-7.91
5 RRPPPWMRR

4.02

-11.8

-7.78
6 RRRPPPMRP

3.55

-11.31

-7.76
7 RRPPPDMRP

5.04

-12.56

-7.52
8 RRGPPPMRR

3.56

-10.94

-7.38
9 RRPPPPMRP

4.16

-11.5

-7.34
10 RRPPPDMRR

4.47

-11.63

-7.16
11 RRPPPWMRP

4.17

-11.18

-7.01
12 RRGPPDMRP

4.43

-11.36

-6.93
13 RRPPPPMRW

3.82

-10.71

-6.89
14 RRPPPDHRP

4.15

-11.0

-6.85
15 RRPPPWMRW

4.69

-11.54

-6.85
16 RRPPPPIRW

5.2

-11.64

-6.44
17 RRGPPPMRP

4.09

-10.47

-6.38
18 RRPPPDIRW

4.22

-10.6

-6.38
19 RRPPPPIRR

4.34

-10.69

-6.35
20 RRPPPDIRR

3.67

-9.96

-6.29
21 RRPPPDIRP

4.71

-10.79

-6.08
22 RRPPPPHRR

5.04

-10.75

-5.71
23 RRPPPWHRR

4.62

-10.27

-5.65
24 RRPPPPHRW

4.88

-10.44

-5.56
25 RRPPPPHRP

4.4

-9.89

-5.49
26 RRPPPWHRP

4.28

-9.74

-5.46
27 RRGPPPHRP

4.72

-10.16

-5.44
28 RRPPPPIRP

4.59

-9.82

-5.23
29 RRPPPDHRW

4.56

-9.65

-5.09
30 RRPPPDHRR

4.37

-8.13

-3.76

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER