Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-4.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 10
poly-Ala A A 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 4.257 ΔGbinding 3.131
TOTAL
 7.388
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.004
Van der Waals -5.328 Backbone clash -0.000
Electrostatics -0.542 Helix dipole 0.000
Solvation Polar 5.950 Water bridges -0.007
Solvation Hyd -7.534 Disulfide 0.000
VdW clashes 8.497 Electrost. Kon -0.621
Entropy sc 0.913 Part.cov.bonds 0.000
Entropy mc

2.075

 ΔGstability

86.702
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-4.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-4.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRFRFPPPW 0.0
2 RHRFRFPPPW 0.01
3 RPRFRFPEPW 0.02
4 RHRFRFPEPW 0.03
5 RPRFRFPDPW 0.03
6 RHRFRFPDPW 0.04
7 RPPFRFPPPW 0.07
8 RHPFRFPPPW 0.08
9 RPPFRFPEPW 0.09
10 RPKFRFPPPW 0.1
11 RHPFRFPEPW 0.1
12 RPPFRFPDPW 0.1
13 RHPFRFPDPW 0.11
14 RHKFRFPPPW 0.11
15 RPKFRFPEPW 0.12
16 RPRRRFPPPW 0.12
17 RHRRRFPPPW 0.13
18 RPKFRFPDPW 0.13
19 RHKFRFPEPW 0.13
20 RPRRRFPEPW 0.14
21 RHKFRFPDPW 0.14
22 RPRRRFPDPW 0.15
23 RHRRRFPEPW 0.15
24 RHRRRFPDPW 0.16
25 RPRFRFPPNW 0.17
26 RHRFRFPPNW 0.18
27 RPPRRFPPPW 0.18
28 RPRFRFPENW 0.18
29 RHPRRFPPPW 0.19
30 RPPRRFPEPW 0.2
31 RHRFRFPENW 0.2
32 RPRFRFPDNW 0.2
33 RPKRRFPPPW 0.21
34 RHRFRFPDNW 0.21
35 RHPRRFPEPW 0.21
36 RPPRRFPDPW 0.21
37 RHKRRFPPPW 0.22
38 RPKRRFPEPW 0.23
39 RPPFRFPPNW 0.23
40 RHPRRFPDPW 0.23
41 RPKRRFPDPW 0.24
42 RHKRRFPEPW 0.24
43 RHPFRFPPNW 0.24
44 RPPFRFPENW 0.25
45 RPKFRFPPNW 0.26
46 RPPFRFPDNW 0.26
47 RPRFRFPPPR 0.26
48 RPRFPFPPPW 0.26
49 RHKRRFPDPW 0.26
50 RHPFRFPENW 0.26
51 RHKFRFPPNW 0.27
52 RHRFRFPPPR 0.27
53 RPKFRFPENW 0.28
54 RPRFPFPEPW 0.28
55 RPRFRFPEPR 0.28
56 RPRRRFPPNW 0.28
57 RHRFPFPPPW 0.28
58 RHPFRFPDNW 0.28
59 RPKFRFPDNW 0.29
60 RHKFRFPENW 0.29
61 RPRFKFPPPW 0.29
62 RHRFRFPEPR 0.29
63 RPRFRFPDPR 0.29
64 RHRRRFPPNW 0.29
65 RPRFRFPPEW 0.29
66 RHRFRFPPEW 0.3
67 RHRFKFPPPW 0.3
68 RPRRRFPENW 0.3
69 RHRFPFPEPW 0.3
70 RHRFRFPDPR 0.3
71 RPRFPFPDPW 0.3
72 RHRFPFPDPW 0.31
73 RPRFRFPEEW 0.31
74 RHRRRFPENW 0.31
75 RPRFKFPEPW 0.31
76 RHKFRFPDNW 0.31
77 RPRRRFPDNW 0.31
78 RPRFRFPDEW 0.32
79 RPPFRFPPPR 0.32
80 RHRFRFPEEW 0.32
81 RPRFKFPDPW 0.32
82 RHRRRFPDNW 0.33
83 RKRFRFPPPW 0.33
84 RHRFKFPEPW 0.33
85 RPPFPFPPPW 0.33
86 RHRFRFPDEW 0.33
87 RPPFRFPEPR 0.34
88 RHPFPFPPPW 0.34
89 RHRFKFPDPW 0.34
90 RHPFRFPPPR 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRRRFPEPW

5.53

-14.65

-9.12
2 RPKFRFPEPW

4.84

-11.68

-6.84
3 RPRFRFPPPW

5.35

-11.86

-6.51
4 RPPRRFPPPW

4.97

-11.34

-6.37
5 RPRRRFPPPW

5.65

-11.99

-6.34
6 RPPRRFPEPW

5.91

-11.93

-6.02
7 RHRRRFPEPW

5.0

-11.0

-6.0
8 RPRRRFPDPW

5.11

-11.07

-5.96
9 RPPFRFPPPW

5.67

-11.35

-5.68
10 RPRFRFPEPW

5.1

-10.78

-5.68
11 RPPFRFPEPW

5.25

-10.72

-5.47
12 RPRFRFPDPW

5.26

-10.72

-5.46
13 RPKFRFPPPW

4.77

-10.05

-5.28
14 RHRFRFPEPW

4.96

-10.2

-5.24
15 RPKFRFPDPW

5.19

-10.24

-5.05
16 RPPFRFPDPW

4.16

-9.13

-4.97
17 RHRRRFPDPW

5.44

-10.16

-4.72
18 RHRFRFPPPW

5.41

-10.12

-4.71
19 RHRFRFPDPW

4.53

-9.2

-4.67
20 RPRFRFPPNW

6.19

-10.76

-4.57
21 RHRRRFPPPW

5.47

-9.91

-4.44
22 RHKFRFPEPW

4.67

-9.1

-4.43
23 RPRFRFPENW

5.54

-9.87

-4.33
24 RHKFRFPDPW

4.9

-9.19

-4.29
25 RHPFRFPEPW

4.68

-8.59

-3.91
26 RHPRRFPPPW

4.68

-8.18

-3.5
27 RHKFRFPPPW

4.58

-8.03

-3.45
28 RHRFRFPPNW

6.19

-8.99

-2.8
29 RHPFRFPDPW

6.62

-8.28

-1.66
30 RHPFRFPPPW

5.76

-7.19

-1.43

 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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