Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-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 1.556 ΔGbinding 0.777
TOTAL
 2.333
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.669
Van der Waals -2.714 Backbone clash 0.101
Electrostatics 0.205 Helix dipole 0.000
Solvation Polar 2.713 Water bridges 0.016
Solvation Hyd -3.793 Disulfide 0.000
VdW clashes 1.955 Electrost. Kon 0.257
Entropy sc 0.461 Part.cov.bonds 0.000
Entropy mc

2.283

 ΔGstability

15.404
       

Predicted ligand sequences for model [LSB3_1OOT-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).
 
  LSB3_1OOT-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLPPRR 0.0
2 RPRLPPRR 0.02
3 RPKLPPRR 0.05
4 RPPMPPRR 0.06
5 RPRMPPRR 0.08
6 RPKMPPRR 0.11
7 RPPLPRRR 0.14
8 RPPLPFRR 0.16
9 RPRLPRRR 0.16
10 RPRLPFRR 0.18
11 RPPLPPRW 0.19
12 RPKLPRRR 0.19
13 RPPMPRRR 0.2
14 RPRLPPRW 0.21
15 RPKLPFRR 0.21
16 RPPRPPRR 0.21
17 RPRMPRRR 0.22
18 RPPMPFRR 0.22
19 RPRRPPRR 0.23
20 RPKLPPRW 0.24
21 RPRMPFRR 0.24
22 RPKMPRRR 0.25
23 RPPLPPRK 0.25
24 RPPMPPRW 0.25
25 RPKRPPRR 0.26
26 RPRLPPRK 0.27
27 RPKMPFRR 0.27
28 RPRMPPRW 0.27
29 RPKLPPRK 0.3
30 RPKMPPRW 0.3
31 RPPMPPRK 0.31
32 RPPLPRRW 0.33
33 RPRMPPRK 0.33
34 RPPRPRRR 0.35
35 RPPLPFRW 0.35
36 RPRLPRRW 0.35
37 RPKMPPRK 0.36
38 RPPRPFRR 0.37
39 FPPLPPRR 0.37
40 RPRLPFRW 0.37
41 RPRRPRRR 0.38
42 RPKLPRRW 0.38
43 RPRRPFRR 0.39
44 RPPMPRRW 0.39
45 RPPLPRRK 0.39
46 FPRLPPRR 0.39
47 RPKRPRRR 0.4
48 RPPRPPRW 0.4
49 RPKLPFRW 0.4
50 RPRMPRRW 0.41
51 RPPLPFRK 0.41
52 RPPMPFRW 0.41
53 RPRLPRRK 0.41
54 RPRRPPRW 0.42
55 FPKLPPRR 0.42
56 RPKRPFRR 0.42
57 RPRMPFRW 0.43
58 RPRLPFRK 0.43
59 RPKMPRRW 0.44
60 FPPMPPRR 0.44
61 RPKLPRRK 0.44
62 RPKRPPRW 0.45
63 RPPMPRRK 0.45
64 RPKLPFRK 0.46
65 FPRMPPRR 0.46
66 RPPRPPRK 0.46
67 RPKMPFRW 0.46
68 RPRMPRRK 0.47
69 RPPMPFRK 0.47
70 MPPLPPRR 0.48
71 RPRRPPRK 0.48
72 FPKMPPRR 0.49
73 RPRMPFRK 0.49
74 RPKMPRRK 0.5
75 MPRLPPRR 0.5
76 RPKRPPRK 0.51
77 FPPLPRRR 0.51
78 RPKMPFRK 0.52
79 MPKLPPRR 0.53
80 FPPLPFRR 0.53
81 FPRLPRRR 0.53
82 RPPRPRRW 0.54
83 FPRLPFRR 0.55
84 MPPMPPRR 0.55
85 FPKLPRRR 0.56
86 RPPRPFRW 0.56
87 FPPLPPRW 0.56
88 RPRRPRRW 0.56
89 MPRMPPRR 0.57
90 FPPMPRRR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRMPRRR

1.08

-14.8

-13.72
2 RPPMPFRR

1.27

-14.81

-13.54
3 RPKRPPRR

1.35

-14.34

-12.99
4 RPPMPPRR

0.96

-13.61

-12.65
5 RPRLPFRR

1.08

-13.58

-12.5
6 RPRLPPRW

1.22

-13.39

-12.17
7 RPPMPRRR

1.24

-13.3

-12.06
8 RPPLPPRR

1.19

-13.19

-12.0
9 RPRLPPRR

1.22

-13.09

-11.87
10 RPPLPRRR

1.01

-12.61

-11.6
11 RPRRPPRR

1.11

-12.64

-11.53
12 RPPLPPRK

1.28

-12.76

-11.48
13 RPPLPPRW

1.02

-12.44

-11.42
14 RPRMPFRR

1.0

-12.4

-11.4
15 RPRMPPRR

1.07

-12.42

-11.35
16 RPKLPRRR

1.6

-12.94

-11.34
17 RPPRPPRR

1.23

-12.45

-11.22
18 RPRLPRRR

0.98

-12.15

-11.17
19 RPKLPFRR

0.99

-12.13

-11.14
20 RPKMPFRR

1.62

-12.6

-10.98
21 RPKMPPRW

1.38

-12.33

-10.95
22 RPKLPPRK

0.97

-11.9

-10.93
23 RPKMPRRR

1.07

-11.75

-10.68
24 RPKLPPRW

1.01

-11.57

-10.56
25 RPRLPPRK

0.98

-11.53

-10.55
26 RPPLPFRR

1.22

-11.73

-10.51
27 RPKLPPRR

1.74

-12.09

-10.35
28 RPPMPPRW

0.94

-11.26

-10.32
29 RPKMPPRR

1.29

-10.83

-9.54
30 RPRMPPRW

1.08

-10.58

-9.5

 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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