Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D1_G2B-ABO-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 1.681 ΔGbinding -1.676
TOTAL
 0.005
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.320
Van der Waals -2.305 Backbone clash 0.000
Electrostatics -0.225 Helix dipole 0.000
Solvation Polar 2.720 Water bridges -0.024
Solvation Hyd -3.152 Disulfide 0.000
VdW clashes 0.164 Electrost. Kon -0.271
Entropy sc 0.584 Part.cov.bonds 0.000
Entropy mc

1.789

 ΔGstability

81.515
       

Predicted ligand sequences for model [BZZ1-D1_G2B-ABO-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLPPRF 0.0
2 RPLMPRF 0.01
3 RPMPPRF 0.07
4 RPMMPRF 0.08
5 RPLPPRM 0.14
6 RPLMPRM 0.16
7 RPLPRRF 0.2
8 RPLMRRF 0.21
9 RPMPPRM 0.21
10 RPMMPRM 0.22
11 RPMPRRF 0.26
12 RPMMRRF 0.28
13 RRLPPRF 0.28
14 RRLMPRF 0.29
15 RPLPRRM 0.34
16 RRMPPRF 0.34
17 RKLPPRF 0.34
18 RKLMPRF 0.35
19 RPLPPRW 0.36
20 RPLMRRM 0.36
21 RRMMPRF 0.36
22 RPLMPRW 0.38
23 RKMPPRF 0.4
24 RPMPRRM 0.41
25 RKMMPRF 0.42
26 RPMMRRM 0.42
27 RRLPPRM 0.42
28 RPLPLRF 0.43
29 RPMPPRW 0.43
30 RPMMPRW 0.44
31 RPLMLRF 0.44
32 RRLMPRM 0.44
33 RRMPPRM 0.48
34 RKLPPRM 0.48
35 RRLPRRF 0.48
36 RRLMRRF 0.49
37 RPMPLRF 0.49
38 RKLMPRM 0.5
39 RRMMPRM 0.5
40 RPMMLRF 0.51
41 RKLPRRF 0.54
42 RRMPRRF 0.54
43 RKMPPRM 0.55
44 RKLMRRF 0.55
45 RKMMPRM 0.56
46 RPLPRRW 0.56
47 RRMMRRF 0.56
48 RPLPLRM 0.57
49 RPLMLRM 0.58
50 RPLMRRW 0.58
51 RKMPRRF 0.6
52 RKMMRRF 0.62
53 RRLPRRM 0.62
54 RRLMRRM 0.63
55 RPMPRRW 0.63
56 RPMMRRW 0.64
57 RPMPLRM 0.64
58 RRLPPRW 0.64
59 RPMMLRM 0.65
60 RRLMPRW 0.66
61 RKLPRRM 0.68
62 RRMPRRM 0.68
63 RKLMRRM 0.7
64 RKLPPRW 0.7
65 RRMMRRM 0.7
66 RRLPLRF 0.7
67 RRMPPRW 0.71
68 RKLMPRW 0.72
69 RRLMLRF 0.72
70 RRMMPRW 0.72
71 RKMPRRM 0.74
72 RKMMRRM 0.76
73 RKLPLRF 0.76
74 RKMPPRW 0.77
75 RRMPLRF 0.77
76 RRMMLRF 0.78
77 RKMMPRW 0.78
78 RKLMLRF 0.78
79 RPLPLRW 0.79
80 RPLMLRW 0.8
81 RKMPLRF 0.83
82 RKMMLRF 0.84
83 RRLPRRW 0.84
84 RRLMRRW 0.85
85 RPMPLRW 0.85
86 RRLPLRM 0.85
87 RRLMLRM 0.86
88 RPMMLRW 0.87
89 RKLPRRW 0.9
90 RRMPRRW 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLMPRF

2.51

-8.59

-6.08
2 RRMMPRF

3.35

-9.07

-5.72
3 RRLMPRF

2.39

-8.07

-5.68
4 RKLMPRF

3.33

-8.91

-5.58
5 RPLMPRM

2.16

-7.64

-5.48
6 RKMMPRF

2.46

-7.91

-5.45
7 RPMMPRW

3.54

-8.59

-5.05
8 RPLMRRM

3.21

-8.14

-4.93
9 RPLMRRF

3.48

-8.41

-4.93
10 RPLMPRW

3.13

-8.03

-4.9
11 RPLPPRF

2.32

-7.2

-4.88
12 RPMMPRF

3.25

-7.95

-4.7
13 RPMMRRF

3.32

-7.87

-4.55
14 RPMMPRM

3.75

-7.89

-4.14
15 RPMMRRM

4.11

-7.48

-3.37
16 RRLPPRM

2.44

-5.77

-3.33
17 RPMPPRM

2.71

-5.98

-3.27
18 RRLPPRF

2.54

-5.73

-3.19
19 RKLPPRF

2.02

-5.13

-3.11
20 RPLPLRF

2.28

-5.32

-3.04
21 RRMPPRF

2.38

-5.41

-3.03
22 RPLPRRM

2.23

-5.17

-2.94
23 RPLPRRF

2.43

-5.3

-2.87
24 RPLPPRW

2.14

-4.86

-2.72
25 RPLPPRM

2.07

-4.71

-2.64
26 RPMPRRF

2.43

-4.92

-2.49
27 RPMPPRF

2.82

-5.28

-2.46
28 RKMPPRF

2.58

-4.98

-2.4
29 RPMPPRW

2.51

-4.88

-2.37
30 RPMPRRM

2.84

-4.68

-1.84

 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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