Predicted ligand sequences


ADAN-name: 1OBX2.PDB (view again the scoring matrix)

PDB name: [1OBX.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D S V F
position 1 2 3 4
poly-Ala 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 1.039 ΔGbinding -8.810
TOTAL
 -7.771
Backbone Hb -6.700 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.020
Van der Waals -5.830 Backbone clash 0.900
Electrostatics -0.600 Helix dipole -0.030
Solvation Polar 9.210 Water bridges -0.260
Solvation Hyd -8.080 Disulfide 0.000
VdW clashes 0.180 Electrost. Kon -0.410
Entropy sc 1.860 Part.cov.bonds 0.000
Entropy mc

1.820

 ΔGstability

1.680
       

Predicted ligand sequences for template [1OBX2.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).
 
  1OBX2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MWLF 0.0
2 YWLF 0.29
3 FWLF 0.29
4 MWLM 0.4
5 IWLF 0.41
6 MFLF 0.56
7 MWLV 0.64
8 WWLF 0.66
9 MMLF 0.67
10 FWLM 0.69
11 YWLM 0.69
12 MWLW 0.7
13 MWMF 0.77
14 IWLM 0.81
15 FFLF 0.85
16 YFLF 0.85
17 FWLV 0.93
18 YWLV 0.93
19 MFLM 0.95
20 FMLF 0.96
21 YMLF 0.96
22 IFLF 0.97
23 FWLW 0.98
24 YWLW 0.99
25 IWLV 1.05
26 WWLM 1.05
27 MMLM 1.06
28 FWMF 1.06
29 YWMF 1.07
30 IMLF 1.08
31 IWLW 1.11
32 MWMM 1.17
33 IWMF 1.18
34 MFLV 1.2
35 WFLF 1.21
36 FFLM 1.24
37 YFLM 1.25
38 MFLW 1.25
39 WWLV 1.29
40 MMLV 1.3
41 WMLF 1.32
42 MFMF 1.33
43 FMLM 1.35
44 WWLW 1.35
45 MMLW 1.36
46 IFLM 1.36
47 YMLM 1.36
48 MWMV 1.41
49 WWMF 1.43
50 MMMF 1.44
51 FWMM 1.46
52 YWMM 1.46
53 IMLM 1.47
54 MWMW 1.47
55 FFLV 1.48
56 YFLV 1.49
57 FFLW 1.54
58 YFLW 1.55
59 IWMM 1.58
60 FMLV 1.59
61 YMLV 1.6
62 IFLV 1.61
63 WFLM 1.61
64 YFMF 1.62
65 FFMF 1.62
66 FMLW 1.65
67 IFLW 1.66
68 YMLW 1.66
69 FWMV 1.7
70 IMLV 1.71
71 YWMV 1.71
72 WMLM 1.72
73 FMMF 1.73
74 YMMF 1.73
75 MFMM 1.73
76 IFMF 1.74
77 FWMW 1.76
78 YWMW 1.76
79 IMLW 1.77
80 IWMV 1.82
81 WWMM 1.82
82 MMMM 1.84
83 WFLV 1.85
84 IMMF 1.85
85 IWMW 1.88
86 WFLW 1.91
87 WMLV 1.96
88 MFMV 1.97
89 WFMF 1.98
90 WMLW 2.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMLM

1.57

-12.34

-10.77
2 MWLM

2.2

-12.56

-10.36
3 YWLV

2.08

-12.13

-10.05
4 FWLM

2.09

-11.95

-9.86
5 FWLV

1.69

-11.36

-9.67
6 MFLF

1.18

-10.79

-9.61
7 YWLM

1.87

-11.48

-9.61
8 MMLF

1.28

-10.69

-9.41
9 IWLM

2.3

-11.42

-9.12
10 IMLF

2.31

-11.43

-9.12
11 MFLM

2.42

-11.23

-8.81
12 MWLV

1.53

-10.17

-8.64
13 WWLM

2.04

-10.63

-8.59
14 IWLV

1.87

-10.34

-8.47
15 FFLF

1.94

-10.12

-8.18
16 IFLF

1.42

-9.47

-8.05
17 FWLW

1.92

-9.43

-7.51
18 WWLF

2.19

-9.68

-7.49
19 FMLF

1.94

-9.3

-7.36
20 YFLF

0.94

-8.05

-7.11
21 MWLW

3.86

-9.12

-5.26
22 IWLF

3.08

-7.08

-4.0
23 YWLW

3.48

-7.36

-3.88
24 YWLF

2.61

-6.21

-3.6
25 YMLF

5.12

-8.45

-3.33
26 MWLF

3.83

-3.88

-0.05
27 FWLF

3.0

-2.4

0.6
28 YWMF

4.0

-2.83

1.17
29 FWMF

3.21

-1.53

1.68
30 MWMF

3.77

-1.77

2.0

 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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