Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-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 0.504 ΔGbinding -3.159
TOTAL
 -2.655
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.633
Van der Waals -3.172 Backbone clash 0.000
Electrostatics 0.225 Helix dipole 0.000
Solvation Polar 3.406 Water bridges -0.086
Solvation Hyd -4.218 Disulfide 0.000
VdW clashes 0.013 Electrost. Kon 0.273
Entropy sc 1.035 Part.cov.bonds 0.000
Entropy mc

2.558

 ΔGstability

11.638
       

Predicted ligand sequences for model [LSB3_1SSH-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_1SSH-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPFRPRK 0.0
2 RPPFRPRW 0.04
3 RPPFRFRK 0.17
4 RPRFRPRK 0.17
5 RPPFRFRW 0.21
6 RPRFRPRW 0.21
7 RPPFRWRK 0.25
8 RPPFRWRW 0.29
9 RPPMRPRK 0.31
10 RPPLRPRK 0.32
11 RPRFRFRK 0.34
12 RPPMRPRW 0.35
13 RPPFRPRH 0.36
14 RPPLRPRW 0.36
15 RPRFRFRW 0.38
16 RPRFRWRK 0.42
17 MPPFRPRK 0.45
18 RPRFRWRW 0.46
19 RPPMRFRK 0.47
20 RPRMRPRK 0.48
21 RPPLRFRK 0.48
22 RPYFRPRK 0.49
23 RLPFRPRK 0.49
24 MPPFRPRW 0.49
25 RPRLRPRK 0.49
26 RPRMRPRW 0.52
27 RPPMRFRW 0.52
28 RPPFRFRH 0.53
29 RPPLRFRW 0.53
30 RPRFRPRH 0.53
31 RPRLRPRW 0.53
32 RPYFRPRW 0.54
33 RLPFRPRW 0.54
34 RPPMRWRK 0.55
35 RPPLRWRK 0.56
36 RPPMRWRW 0.6
37 MPPFRFRK 0.61
38 RPPFRWRH 0.61
39 RPPLRWRW 0.61
40 MPRFRPRK 0.61
41 RPRMRFRK 0.64
42 RPRLRFRK 0.65
43 RPYFRFRK 0.66
44 RLRFRPRK 0.66
45 RLPFRFRK 0.66
46 MPRFRPRW 0.66
47 MPPFRFRW 0.66
48 RPPMRPRH 0.67
49 RPPLRPRH 0.68
50 RPRMRFRW 0.69
51 MPPFRWRK 0.69
52 RPRLRFRW 0.7
53 RPYFRFRW 0.7
54 RLPFRFRW 0.7
55 RPRFRFRH 0.7
56 RLRFRPRW 0.71
57 RPRMRWRK 0.72
58 RPRLRWRK 0.73
59 RPYFRWRK 0.74
60 RLPFRWRK 0.74
61 MPPFRWRW 0.74
62 MPPMRPRK 0.75
63 MPPLRPRK 0.76
64 RPRMRWRW 0.77
65 RPRLRWRW 0.78
66 RPYFRWRW 0.78
67 MPRFRFRK 0.78
68 RLPFRWRW 0.78
69 RPRFRWRH 0.78
70 RLPMRPRK 0.8
71 MPPMRPRW 0.8
72 RPYMRPRK 0.8
73 MPPFRPRH 0.81
74 MPPLRPRW 0.81
75 RLPLRPRK 0.81
76 RPYLRPRK 0.81
77 MPRFRFRW 0.83
78 RPPMRFRH 0.83
79 RLRFRFRK 0.83
80 RPRMRPRH 0.84
81 RPPLRFRH 0.84
82 RLPMRPRW 0.84
83 RPYMRPRW 0.84
84 RPYFRPRH 0.85
85 RPYLRPRW 0.85
86 RLPFRPRH 0.85
87 RLPLRPRW 0.85
88 RPRLRPRH 0.85
89 MPRFRWRK 0.86
90 RLRFRFRW 0.87
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPPFRPRK

1.15

-17.15

-16.0
2 RPPFRPRK

1.44

-17.37

-15.93
3 RPPLRFRW

1.36

-17.21

-15.85
4 RPPFRPRW

1.18

-16.79

-15.61
5 RPPMRPRK

1.3

-16.83

-15.53
6 MPPFRPRW

1.18

-16.08

-14.9
7 RPPMRPRW

1.51

-16.35

-14.84
8 RLPFRPRK

1.55

-16.34

-14.79
9 RPPMRFRK

1.21

-15.95

-14.74
10 RPRFRPRH

1.75

-16.46

-14.71
11 RPRMRPRW

1.43

-16.01

-14.58
12 RPPMRFRW

1.38

-15.93

-14.55
13 RPYFRPRK

1.47

-15.96

-14.49
14 RPRFRFRK

1.23

-15.17

-13.94
15 RPPFRFRK

1.33

-15.01

-13.68
16 RPPFRWRK

1.09

-14.75

-13.66
17 RPRLRPRK

1.18

-14.78

-13.6
18 RPPLRPRK

1.13

-14.67

-13.54
19 RPPLRPRW

1.14

-14.64

-13.5
20 RPRFRPRW

1.39

-14.76

-13.37
21 RPPFRPRH

1.4

-14.55

-13.15
22 RPRMRPRK

1.59

-14.62

-13.03
23 RPRFRPRK

1.38

-14.38

-13.0
24 RPPLRFRK

1.03

-14.01

-12.98
25 RPPFRFRH

1.22

-14.07

-12.85
26 RPPFRWRW

1.29

-14.08

-12.79
27 RPRFRWRW

1.45

-13.81

-12.36
28 RPPFRFRW

0.89

-12.91

-12.02
29 RPRFRWRK

1.06

-12.89

-11.83
30 RPRFRFRW

1.24

-12.68

-11.44

 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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