Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-11.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 1.561 ΔGbinding -1.337
TOTAL
 0.224
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.952
Van der Waals -3.345 Backbone clash 0.104
Electrostatics 0.274 Helix dipole 0.000
Solvation Polar 3.385 Water bridges 0.025
Solvation Hyd -4.605 Disulfide 0.000
VdW clashes 0.010 Electrost. Kon 0.358
Entropy sc 0.464 Part.cov.bonds 0.000
Entropy mc

2.420

 ΔGstability

11.497
       

Predicted ligand sequences for model [LSB3_2A08-11.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_2A08-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 EDWRRPY 0.0
2 EDWRHPY 0.08
3 EDWKRPY 0.09
4 EPWRRPY 0.11
5 EDPRRPY 0.15
6 EDWKHPY 0.17
7 EDWRNPY 0.18
8 EPWRHPY 0.19
9 EPWKRPY 0.2
10 EDPKRPY 0.23
11 EDPRHPY 0.23
12 EDWRRGY 0.24
13 EPPRRPY 0.26
14 EDWRRRY 0.27
15 EDWKNPY 0.27
16 EDWRRPR 0.28
17 EPWKHPY 0.28
18 EPWRNPY 0.29
19 EDPKHPY 0.31
20 EDWRHGY 0.32
21 EWWRRPY 0.33
22 EDWKRGY 0.33
23 EDPRNPY 0.33
24 EDWIRPY 0.34
25 EPPRHPY 0.34
26 EDWRHRY 0.35
27 EPPKRPY 0.35
28 EDWRHPR 0.36
29 EDWKRRY 0.36
30 EPWRRGY 0.36
31 EDRRRPY 0.37
32 EDWKRPR 0.37
33 EPWRRRY 0.38
34 EPWKNPY 0.38
35 EDPRRGY 0.39
36 EPWRRPR 0.39
37 QDWRRPY 0.4
38 EWWRHPY 0.41
39 EDWKHGY 0.41
40 EWWKRPY 0.42
41 EDPKNPY 0.42
42 EDWIHPY 0.42
43 EDPRRRY 0.42
44 EDPRRPR 0.43
45 EDWRNGY 0.43
46 EPPKHPY 0.43
47 EPWKRGY 0.44
48 EPPRNPY 0.44
49 EDWKHRY 0.44
50 EPWRHGY 0.44
51 EDRKRPY 0.45
52 EPWIRPY 0.45
53 EDRRHPY 0.45
54 EDWKHPR 0.45
55 EDWRNPR 0.46
56 EPWRHRY 0.46
57 EDWRNRY 0.46
58 EPWKRRY 0.47
59 EDPRHGY 0.47
60 EPWRHPR 0.47
61 QDWKRPY 0.48
62 EDPKRGY 0.48
63 EWPRRPY 0.48
64 EPRRRPY 0.48
65 EPWKRPR 0.48
66 QDWRHPY 0.48
67 EDPIRPY 0.49
68 EWWKHPY 0.5
69 EDPRHRY 0.5
70 QPWRRPY 0.51
71 EDPRHPR 0.51
72 EDWKNGY 0.51
73 EDPKRRY 0.51
74 EPPRRGY 0.51
75 EDPKRPR 0.52
76 EWWRNPY 0.52
77 EPWKHGY 0.52
78 EDWINPY 0.52
79 EPWIHPY 0.53
80 EPPKNPY 0.53
81 EDRKHPY 0.53
82 EDWRRGR 0.53
83 EPPRRRY 0.53
84 EPWRNGY 0.54
85 EPPRRPR 0.54
86 EDWKNRY 0.54
87 EDWRRRR 0.55
88 EDWKNPR 0.55
89 EPWKHRY 0.55
90 EDRRNPY 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EPPRRPY

1.73

-8.7

-6.97
2 EDWRRPR

1.68

-8.41

-6.73
3 EPPKRPY

1.77

-8.4

-6.63
4 EPWRRGY

1.51

-6.17

-4.66
5 EPWRRPY

1.59

-6.13

-4.54
6 EPWKRPY

1.39

-5.74

-4.35
7 EPWRNPY

1.88

-5.93

-4.05
8 EDPRRPY

2.1

-6.02

-3.92
9 EDWRRGY

1.59

-5.18

-3.59
10 EPWKHPY

2.14

-5.71

-3.57
11 EDWRRRY

2.0

-5.49

-3.49
12 EDPKRPY

1.75

-5.2

-3.45
13 EDPRNPY

2.24

-5.64

-3.4
14 EDWRRPY

1.64

-4.95

-3.31
15 EDWKRGY

2.28

-5.45

-3.17
16 EDWKRPY

1.6

-4.7

-3.1
17 EDWRHPR

2.28

-5.17

-2.89
18 EPPRHPY

2.35

-5.17

-2.82
19 EDWIRPY

1.99

-4.81

-2.82
20 EDWKRRY

1.87

-4.55

-2.68
21 EDWKNPY

2.2

-4.44

-2.24
22 EDWRNPY

2.04

-4.24

-2.2
23 EDWRHRY

2.61

-4.59

-1.98
24 EPWRHPY

1.96

-3.75

-1.79
25 EDWRHGY

2.65

-3.54

-0.89
26 EDPRHPY

2.23

-2.72

-0.49
27 EDWKHPY

2.15

-2.51

-0.36
28 EDPKHPY

2.16

-2.42

-0.26
29 EDWRHPY

2.31

-2.48

-0.17
30 EWWRRPY

1.69

-0.68

1.01

 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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