Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_G2B-ABO-13.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.598 ΔGbinding -1.613
TOTAL
 -0.015
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.444
Van der Waals -3.087 Backbone clash 0.004
Electrostatics 0.314 Helix dipole 0.000
Solvation Polar 2.983 Water bridges -0.079
Solvation Hyd -4.273 Disulfide 0.000
VdW clashes 0.197 Electrost. Kon 0.367
Entropy sc 0.454 Part.cov.bonds 0.000
Entropy mc

2.342

 ΔGstability

46.093
       

Predicted ligand sequences for model [BZZ1-D2_G2B-ABO-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDRIIPRR 0.0
2 RDPIIPRR 0.04
3 RDRIILRR 0.05
4 RDKIIPRR 0.06
5 RDPIILRR 0.09
6 RDKIILRR 0.11
7 RDRLIPRR 0.12
8 RDPLIPRR 0.16
9 RDRLILRR 0.17
10 RDKLIPRR 0.18
11 RDRIIFRR 0.2
12 RDPLILRR 0.21
13 RDKLILRR 0.23
14 RDPIIFRR 0.24
15 RDKIIFRR 0.26
16 RDRIPPRR 0.27
17 RDRIRPRR 0.27
18 RDPIRPRR 0.31
19 RDPIPPRR 0.31
20 RDRIRLRR 0.32
21 RDRLIFRR 0.32
22 RDRIPLRR 0.32
23 RDKIRPRR 0.33
24 RDKIPPRR 0.34
25 RDPLIFRR 0.36
26 RDPIRLRR 0.36
27 RDPIPLRR 0.36
28 RDKLIFRR 0.38
29 RDKIRLRR 0.38
30 RDRLRPRR 0.39
31 RDRLPPRR 0.39
32 RDKIPLRR 0.39
33 RDRRIPRR 0.4
34 RDPLPPRR 0.43
35 RDPLRPRR 0.43
36 RDRLPLRR 0.44
37 RDRLRLRR 0.44
38 RDPRIPRR 0.44
39 RDRRILRR 0.45
40 RDKLRPRR 0.45
41 RDKLPPRR 0.46
42 RDRIRFRR 0.46
43 RDRIIPRK 0.46
44 RDKRIPRR 0.46
45 RDRIPFRR 0.47
46 RDPLPLRR 0.48
47 RDPLRLRR 0.48
48 RDRIIPRH 0.49
49 RDPIIPRK 0.49
50 RDPRILRR 0.49
51 RDKLRLRR 0.5
52 RDPIRFRR 0.5
53 RDPIPFRR 0.51
54 RDRIILRK 0.51
55 RDKRILRR 0.51
56 RDKLPLRR 0.51
57 RDKIIPRK 0.52
58 RDKIRFRR 0.53
59 RDKIPFRR 0.53
60 RDPIIPRH 0.53
61 RDRIILRH 0.54
62 RDKIIPRH 0.55
63 RDPIILRK 0.55
64 RDRLIPRK 0.57
65 RDKIILRK 0.57
66 RDRLRFRR 0.58
67 RDPIILRH 0.58
68 RDRLPFRR 0.59
69 RDKIILRH 0.6
70 RDRRIFRR 0.6
71 RDRLIPRH 0.61
72 RDPLIPRK 0.61
73 RDPLRFRR 0.62
74 RDPLPFRR 0.63
75 RDRLILRK 0.63
76 RDKLIPRK 0.64
77 RDPRIFRR 0.64
78 RDKLPFRR 0.65
79 RDRIIFRK 0.65
80 RDPLIPRH 0.65
81 RDKLRFRR 0.65
82 RDKRIFRR 0.66
83 RDRLILRH 0.66
84 RDRRPPRR 0.67
85 RDRRRPRR 0.67
86 RDPLILRK 0.67
87 RDKLIPRH 0.67
88 RDRIIFRH 0.68
89 RDKLILRK 0.69
90 RDPIIFRK 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RDPIRPRR

3.04

-13.87

-10.83
2 RDPIPLRR

2.55

-13.35

-10.8
3 RDPIILRR

2.65

-12.93

-10.28
4 RDRIRLRR

3.13

-13.26

-10.13
5 RDRIIFRR

2.89

-12.28

-9.39
6 RDPIPPRR

2.72

-12.06

-9.34
7 RDKIRPRR

3.32

-12.66

-9.34
8 RDKIIFRR

2.81

-12.1

-9.29
9 RDKIPPRR

2.33

-11.53

-9.2
10 RDKIIPRR

3.89

-13.04

-9.15
11 RDRLRPRR

2.93

-12.01

-9.08
12 RDRIIPRR

3.19

-12.26

-9.07
13 RDKLIFRR

2.97

-11.94

-8.97
14 RDKLIPRR

3.81

-12.77

-8.96
15 RDPIIPRR

3.29

-12.09

-8.8
16 RDRIILRR

2.58

-11.27

-8.69
17 RDRIPLRR

2.34

-11.01

-8.67
18 RDKIILRR

2.64

-11.25

-8.61
19 RDRLIFRR

2.69

-11.29

-8.6
20 RDKLILRR

2.68

-11.15

-8.47
21 RDRIPPRR

2.46

-10.81

-8.35
22 RDPLILRR

3.08

-11.27

-8.19
23 RDPIIFRR

3.0

-10.57

-7.57
24 RDRLIPRR

4.26

-11.78

-7.52
25 RDPIRLRR

3.3

-10.63

-7.33
26 RDKIRLRR

4.52

-11.82

-7.3
27 RDRLILRR

2.77

-10.0

-7.23
28 RDPLIFRR

4.51

-11.5

-6.99
29 RDRIRPRR

5.13

-12.1

-6.97
30 RDPLIPRR

3.76

-10.68

-6.92

 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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