Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D2_1GCQ-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 1.605 ΔGbinding -2.469
TOTAL
 -0.864
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.244
Van der Waals -2.078 Backbone clash -0.000
Electrostatics -0.203 Helix dipole 0.000
Solvation Polar 2.163 Water bridges -0.004
Solvation Hyd -3.208 Disulfide 0.000
VdW clashes 0.103 Electrost. Kon -0.278
Entropy sc 0.502 Part.cov.bonds 0.000
Entropy mc

1.566

 ΔGstability

50.825
       

Predicted ligand sequences for model [BEM1-D2_1GCQ-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).
 
  BEM1-D2_1GCQ-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRLMRRM 0.0
2 RPLMRRM 0.04
3 RELMRRM 0.05
4 WRLMRRM 0.2
5 RRLPRRM 0.21
6 MRLMRRM 0.22
7 WPLMRRM 0.24
8 RPLPRRM 0.25
9 WELMRRM 0.25
10 MPLMRRM 0.26
11 RELPRRM 0.26
12 MELMRRM 0.27
13 RRLMRRY 0.27
14 RPLMRRY 0.32
15 RELMRRY 0.32
16 RRLMKRM 0.34
17 RPLMKRM 0.38
18 RELMKRM 0.39
19 RRLMPRM 0.39
20 WRLPRRM 0.41
21 MRLPRRM 0.43
22 RPLMPRM 0.43
23 RELMPRM 0.43
24 WPLPRRM 0.45
25 WELPRRM 0.46
26 MELPRRM 0.47
27 MPLPRRM 0.47
28 WRLMRRY 0.48
29 RRLPRRY 0.48
30 MRLMRRY 0.49
31 WELMRRY 0.52
32 WPLMRRY 0.52
33 RPLPRRY 0.53
34 MPLMRRY 0.53
35 RELPRRY 0.53
36 MELMRRY 0.54
37 WRLMKRM 0.54
38 RRLPKRM 0.55
39 MRLMKRM 0.56
40 WELMKRM 0.59
41 RPLPKRM 0.59
42 WPLMKRM 0.59
43 WRLMPRM 0.59
44 RELPKRM 0.6
45 MPLMKRM 0.6
46 RRLPPRM 0.6
47 MRLMPRM 0.61
48 MELMKRM 0.61
49 RRLMKRY 0.62
50 WPLMPRM 0.63
51 RPLPPRM 0.64
52 WELMPRM 0.64
53 RELPPRM 0.65
54 MPLMPRM 0.65
55 MELMPRM 0.65
56 RELMKRY 0.66
57 RPLMKRY 0.66
58 RRLMPRY 0.66
59 WRLPRRY 0.69
60 MRLPRRY 0.7
61 RPLMPRY 0.7
62 RELMPRY 0.71
63 WPLPRRY 0.73
64 WELPRRY 0.73
65 MPLPRRY 0.74
66 MELPRRY 0.75
67 WRLPKRM 0.75
68 MRLPKRM 0.77
69 WRLPPRM 0.8
70 WELPKRM 0.8
71 WPLPKRM 0.8
72 MPLPKRM 0.81
73 MELPKRM 0.82
74 MRLPPRM 0.82
75 WRLMKRY 0.82
76 RRLPKRY 0.83
77 WPLPPRM 0.84
78 MRLMKRY 0.84
79 WELPPRM 0.85
80 MPLPPRM 0.86
81 MELPPRM 0.86
82 WELMKRY 0.86
83 WPLMKRY 0.86
84 WRLMPRY 0.86
85 RPLPKRY 0.87
86 RELPKRY 0.87
87 RRLPPRY 0.87
88 MELMKRY 0.88
89 MPLMKRY 0.88
90 MRLMPRY 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLPRRM

3.72

-10.78

-7.06
2 RPLMRRY

3.89

-10.29

-6.4
3 MRLMRRY

3.49

-9.87

-6.38
4 MPLMRRM

3.13

-9.49

-6.36
5 MPLPRRM

3.67

-9.98

-6.31
6 MELPRRM

3.54

-9.81

-6.27
7 WRLPRRM

4.07

-10.11

-6.04
8 RRLPRRM

3.94

-9.94

-6.0
9 MRLPRRM

3.61

-9.55

-5.94
10 RPLMKRM

3.38

-9.0

-5.62
11 RPLMRRM

3.6

-9.16

-5.56
12 WPLPRRM

4.32

-9.84

-5.52
13 RRLMRRY

4.6

-10.11

-5.51
14 RELPRRM

3.59

-9.07

-5.48
15 RRLPRRY

4.38

-9.77

-5.39
16 WELPRRM

4.2

-9.56

-5.36
17 WPLMRRM

4.35

-9.51

-5.16
18 WRLMRRY

4.59

-9.64

-5.05
19 WRLMRRM

4.19

-9.16

-4.97
20 MRLMRRM

3.55

-8.47

-4.92
21 MELMRRM

3.33

-8.25

-4.92
22 RRLMKRM

4.14

-9.05

-4.91
23 RPLMPRM

3.49

-8.35

-4.86
24 RELMPRM

3.49

-8.32

-4.83
25 RELMRRM

3.84

-8.62

-4.78
26 RELMRRY

4.33

-9.06

-4.73
27 RELMKRM

3.95

-8.59

-4.64
28 RRLMPRM

3.78

-8.39

-4.61
29 RRLMRRM

4.22

-8.79

-4.57
30 WELMRRM

4.07

-8.42

-4.35

 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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