Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_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 1.830 ΔGbinding -0.264
TOTAL
 1.566
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.384
Van der Waals -4.020 Backbone clash 0.000
Electrostatics 0.470 Helix dipole 0.000
Solvation Polar 4.535 Water bridges -0.063
Solvation Hyd -5.323 Disulfide 0.000
VdW clashes 2.662 Electrost. Kon 0.542
Entropy sc 0.845 Part.cov.bonds 0.000
Entropy mc

2.257

 ΔGstability

48.700
       

Predicted ligand sequences for model [BZZ1-D2_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-D2_G2B-ABO-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 TDMFKRRPK 0.0
2 TDMFRRRPK 0.0
3 TDMDRRRPK 0.02
4 TDMDKRRPK 0.02
5 TDMFHRRPK 0.07
6 TDMDHRRPK 0.09
7 TRMFKRRPK 0.13
8 EDMFRRRPK 0.14
9 TRMFRRRPK 0.14
10 SDMFRRRPK 0.14
11 TDIFKRRPK 0.14
12 TDIFRRRPK 0.14
13 SDMFKRRPK 0.14
14 EDMFKRRPK 0.14
15 TRMDKRRPK 0.15
16 TRMDRRRPK 0.15
17 TDIDRRRPK 0.16
18 SDMDKRRPK 0.16
19 EDMDRRRPK 0.16
20 TDIDKRRPK 0.16
21 SDMDRRRPK 0.16
22 EDMDKRRPK 0.16
23 TDPFKRRPK 0.16
24 TDPFRRRPK 0.17
25 TDPDKRRPK 0.18
26 TDPDRRRPK 0.18
27 TDIFHRRPK 0.21
28 TRMFHRRPK 0.21
29 EDMFHRRPK 0.22
30 SDMFHRRPK 0.22
31 SDMDHRRPK 0.23
32 TRMDHRRPK 0.23
33 TDIDHRRPK 0.23
34 EDMDHRRPK 0.23
35 TDPFHRRPK 0.24
36 TDPDHRRPK 0.25
37 SDIFRRRPK 0.28
38 EDIFRRRPK 0.28
39 ERMFRRRPK 0.28
40 TRIFRRRPK 0.28
41 EDIFKRRPK 0.28
42 ERMFKRRPK 0.28
43 SDIFKRRPK 0.28
44 TRIFKRRPK 0.28
45 SRMFRRRPK 0.28
46 SRMFKRRPK 0.28
47 TRIDKRRPK 0.29
48 SRMDKRRPK 0.29
49 TRIDRRRPK 0.29
50 ERMDKRRPK 0.29
51 TRPFKRRPK 0.3
52 SRMDRRRPK 0.3
53 EDPFKRRPK 0.3
54 SDIDRRRPK 0.3
55 ERMDRRRPK 0.3
56 SDIDKRRPK 0.3
57 SDPFKRRPK 0.3
58 TRPFRRRPK 0.3
59 EDIDKRRPK 0.3
60 EDIDRRRPK 0.3
61 EDPFRRRPK 0.31
62 TRPDKRRPK 0.31
63 TDMFKRRSK 0.31
64 TDMFRRRSK 0.31
65 SDPFRRRPK 0.31
66 SDPDKRRPK 0.32
67 SDPDRRRPK 0.32
68 EDPDKRRPK 0.32
69 EDPDRRRPK 0.32
70 TRPDRRRPK 0.32
71 TDMFKRRGK 0.33
72 TEMFRRRPK 0.33
73 TDMDKRRSK 0.33
74 TEMFKRRPK 0.33
75 TDMDRRRSK 0.33
76 TDMRKRRPK 0.34
77 TEMDKRRPK 0.34
78 TDMFRRRGK 0.34
79 TDMRRRRPK 0.35
80 TEMDRRRPK 0.35
81 SRMFHRRPK 0.35
82 TDMDRRRGK 0.35
83 ERMFHRRPK 0.35
84 TRIFHRRPK 0.35
85 TDMDKRRGK 0.35
86 EDIFHRRPK 0.36
87 SDIFHRRPK 0.36
88 TRPFHRRPK 0.37
89 SRMDHRRPK 0.37
90 SDIDHRRPK 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EDMFRRRPK

1.77

-7.81

-6.04
2 EDMFKRRPK

2.02

-7.37

-5.35
3 TDMFKRRPK

2.37

-7.59

-5.22
4 TDPFRRRPK

3.64

-8.71

-5.07
5 EDMDKRRPK

1.77

-6.81

-5.04
6 EDMFHRRPK

2.37

-7.18

-4.81
7 SDMFKRRPK

2.61

-7.13

-4.52
8 TDMFRRRPK

3.0

-7.42

-4.42
9 TDMDKRRPK

2.5

-6.91

-4.41
10 EDMDRRRPK

2.42

-6.56

-4.14
11 TRMFHRRPK

2.33

-6.41

-4.08
12 TDIFHRRPK

2.58

-6.3

-3.72
13 TDPFKRRPK

2.95

-6.53

-3.58
14 TDIFRRRPK

2.6

-6.0

-3.4
15 SDMFRRRPK

3.38

-6.57

-3.19
16 SDMDRRRPK

2.68

-5.87

-3.19
17 TRMDRRRPK

2.27

-5.46

-3.19
18 TDMDRRRPK

3.42

-6.53

-3.11
19 SDMFHRRPK

4.25

-7.09

-2.84
20 SDMDKRRPK

2.44

-5.26

-2.82
21 TDMDHRRPK

2.38

-5.06

-2.68
22 TDIFKRRPK

2.08

-4.7

-2.62
23 TRMDKRRPK

2.52

-5.14

-2.62
24 TDPDKRRPK

3.56

-5.82

-2.26
25 TRMFRRRPK

3.61

-5.45

-1.84
26 TDMFHRRPK

3.3

-4.88

-1.58
27 TRMFKRRPK

3.16

-4.35

-1.19
28 TDIDKRRPK

3.03

-3.65

-0.62
29 TDPDRRRPK

3.59

-4.09

-0.5
30 TDIDRRRPK

3.4

-3.74

-0.34

 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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