Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-26.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 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 2.883 ΔGbinding -1.761
TOTAL
 1.122
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.423
Van der Waals -3.827 Backbone clash 0.000
Electrostatics 0.530 Helix dipole 0.000
Solvation Polar 4.033 Water bridges -0.065
Solvation Hyd -5.060 Disulfide 0.000
VdW clashes 0.042 Electrost. Kon 0.593
Entropy sc 0.566 Part.cov.bonds 0.000
Entropy mc

2.277

 ΔGstability

81.166
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDMDKRRPY 0.0
2 DDMDKRRPH 0.01
3 DDMDRRRPY 0.03
4 DDMDRRRPH 0.04
5 DEMDKRRPY 0.04
6 DEMDKRRPH 0.05
7 DEMDRRRPY 0.07
8 DEMDRRRPH 0.08
9 DDMDKRRRY 0.08
10 DDMDKRRRH 0.09
11 DDMDRRRRY 0.11
12 DEMDKRRRY 0.12
13 DDMDRRRRH 0.12
14 DEMDKRRRH 0.13
15 DEMDRRRRY 0.15
16 DEMDRRRRH 0.16
17 DDMDHRRPY 0.17
18 DDMDHRRPH 0.18
19 DDKDKRRPY 0.19
20 DDKDKRRPH 0.2
21 DEMDHRRPY 0.21
22 DDKDRRRPY 0.22
23 DEMDHRRPH 0.22
24 DEKDKRRPY 0.23
25 DDMPKRRPY 0.23
26 DDKDRRRPH 0.23
27 DRMDKRRPY 0.23
28 DEKDKRRPH 0.24
29 DDMPKRRPH 0.24
30 DRMDKRRPH 0.24
31 DDMDHRRRY 0.25
32 DDMDKRRHY 0.25
33 DEKDRRRPY 0.26
34 DDMPRRRPY 0.26
35 DDMDHRRRH 0.26
36 DDMDKRRHH 0.26
37 DEKDRRRPH 0.27
38 DRMDRRRPH 0.27
39 DRMDRRRPY 0.27
40 DDMPRRRPH 0.27
41 DDKDKRRRY 0.27
42 DEMPKRRPY 0.27
43 DEMPKRRPH 0.28
44 DDKDKRRRH 0.28
45 MDMDKRRPY 0.28
46 DDMDRRRHY 0.28
47 DEMDKRRHY 0.29
48 DDMDRRRHH 0.29
49 DEMDHRRRY 0.29
50 MDMDKRRPH 0.29
51 DEMDKRRHH 0.3
52 DDKDRRRRY 0.3
53 DEMDHRRRH 0.3
54 DEMPRRRPY 0.3
55 MDMDRRRPY 0.31
56 DEKDKRRRY 0.31
57 DDMPKRRRY 0.31
58 DDKDRRRRH 0.31
59 DEMPRRRPH 0.31
60 MDMDRRRPH 0.32
61 DEMDRRRHY 0.32
62 DEKDKRRRH 0.32
63 DDMPKRRRH 0.32
64 MEMDKRRPY 0.32
65 MEMDKRRPH 0.32
66 DRMDKRRRH 0.32
67 DRMDKRRRY 0.32
68 DEMDRRRHH 0.33
69 DDPDKRRPY 0.33
70 DDPDKRRPH 0.34
71 DEKDRRRRY 0.34
72 DRMDRRRRY 0.35
73 DDMPRRRRH 0.35
74 DDMPRRRRY 0.35
75 MEMDRRRPY 0.35
76 DEKDRRRRH 0.35
77 DEMPKRRRY 0.35
78 DRMDRRRRH 0.36
79 DDPDRRRPY 0.36
80 DDKDHRRPY 0.36
81 MDMDKRRRY 0.36
82 MEMDRRRPH 0.36
83 DEMPKRRRH 0.36
84 DDPDRRRPH 0.37
85 TDMDKRRPY 0.37
86 DEPDKRRPY 0.37
87 DDKDHRRPH 0.37
88 MDMDKRRRH 0.37
89 DEMPRRRRY 0.38
90 TDMDKRRPH 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DEMDKRRRH

2.07

-7.35

-5.28
2 DDMDKRRRH

1.94

-7.13

-5.19
3 DDMDRRRPY

2.7

-7.61

-4.91
4 DEMDRRRRH

1.43

-5.9

-4.47
5 DEMDRRRPH

1.93

-6.2

-4.27
6 DDMDHRRPH

1.88

-6.08

-4.2
7 DEMDHRRPH

1.91

-6.1

-4.19
8 DDMDKRRPH

2.7

-6.89

-4.19
9 DEMDHRRPY

2.53

-6.69

-4.16
10 DEMDKRRPY

2.42

-6.49

-4.07
11 DEMDKRRPH

1.85

-5.92

-4.07
12 DDKDRRRPH

2.61

-6.6

-3.99
13 DDMDKRRPY

2.92

-6.84

-3.92
14 DDMDRRRPH

1.84

-5.46

-3.62
15 DDMPKRRPH

1.97

-5.53

-3.56
16 DDKDRRRPY

2.92

-6.27

-3.35
17 DDMDRRRRH

2.75

-6.05

-3.3
18 DEMDRRRPY

2.74

-5.92

-3.18
19 DRMDKRRPY

1.89

-5.04

-3.15
20 DDMDKRRRY

3.3

-6.4

-3.1
21 DRMDKRRPH

2.31

-5.36

-3.05
22 DDMPKRRPY

1.88

-4.91

-3.03
23 DEKDKRRPY

2.91

-5.93

-3.02
24 DDMDRRRRY

2.48

-5.38

-2.9
25 DEMDKRRRY

1.6

-4.47

-2.87
26 DDMDHRRPY

2.0

-4.78

-2.78
27 DDKDKRRPH

1.93

-4.55

-2.62
28 DEMDRRRRY

2.17

-4.72

-2.55
29 DEKDKRRPH

3.11

-5.37

-2.26
30 DDKDKRRPY

2.15

-3.96

-1.81

 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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