Predicted ligand sequences


ADAN-name: 1OBY2.PDB (view again the scoring matrix)

PDB name: [1OBY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N E F Y A
position 1 2 3 4 5
poly-Ala
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 2.477 ΔGbinding -12.470
TOTAL
 -9.993
Backbone Hb -9.080 Cis_bond 0.000
Sidechain Hb -1.710 Torsional clash 0.070
Van der Waals -8.720 Backbone clash 1.640
Electrostatics -0.570 Helix dipole -0.010
Solvation Polar 13.490 Water bridges -0.720
Solvation Hyd -11.390 Disulfide 0.000
VdW clashes 0.150 Electrost. Kon -0.360
Entropy sc 3.890 Part.cov.bonds 0.000
Entropy mc

2.480

 ΔGstability

3.850
       

Predicted ligand sequences for template [1OBY2.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).
 
  1OBY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMFMM 0.0
2 KMFMM 0.04
3 FMIMM 0.05
4 KMIMM 0.09
5 RMFMM 0.09
6 RMIMM 0.14
7 YMFMM 0.16
8 PMFMM 0.17
9 YMIMM 0.2
10 FMFFM 0.21
11 PMIMM 0.22
12 FMIFM 0.25
13 KMFFM 0.25
14 KMIFM 0.29
15 RMFFM 0.3
16 RMIFM 0.35
17 YMFFM 0.36
18 PMFFM 0.38
19 FEFMM 0.38
20 YMIFM 0.41
21 KEFMM 0.42
22 FEIMM 0.43
23 PMIFM 0.43
24 KEIMM 0.47
25 REFMM 0.47
26 FMMMM 0.5
27 FMLMM 0.5
28 FLFMM 0.51
29 FIFMM 0.52
30 REIMM 0.52
31 YEFMM 0.54
32 KMMMM 0.54
33 FMWMM 0.54
34 KMLMM 0.54
35 KLFMM 0.55
36 PEFMM 0.56
37 KIFMM 0.56
38 FLIMM 0.56
39 KMWMM 0.57
40 FIIMM 0.57
41 RMMMM 0.59
42 FEFFM 0.59
43 RMLMM 0.59
44 YEIMM 0.59
45 PEIMM 0.6
46 KLIMM 0.6
47 RIFMM 0.61
48 RLFMM 0.61
49 KIIMM 0.61
50 KEFFM 0.63
51 RMWMM 0.63
52 FEIFM 0.64
53 YMLMM 0.65
54 RLIMM 0.65
55 YMMMM 0.66
56 RIIMM 0.66
57 PMMMM 0.67
58 KEIFM 0.67
59 YLFMM 0.67
60 PMLMM 0.67
61 REFFM 0.68
62 YIFMM 0.68
63 YMWMM 0.69
64 PLFMM 0.69
65 FMLFM 0.7
66 PIFMM 0.7
67 PMWMM 0.71
68 FMMFM 0.71
69 FLFFM 0.72
70 YLIMM 0.72
71 YIIMM 0.72
72 FIFFM 0.73
73 REIFM 0.73
74 FMWFM 0.74
75 PLIMM 0.74
76 PIIMM 0.74
77 KMLFM 0.74
78 YEFFM 0.75
79 KMMFM 0.75
80 KLFFM 0.76
81 PEFFM 0.76
82 FLIFM 0.77
83 FIIFM 0.77
84 KIFFM 0.77
85 KMWFM 0.78
86 YEIFM 0.79
87 RMLFM 0.79
88 RMMFM 0.8
89 RLFFM 0.81
90 PEIFM 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMIMM

1.86

-17.57

-15.71
2 PMIMM

1.9

-17.49

-15.59
3 RMFMM

2.26

-17.83

-15.57
4 KEIMM

1.86

-17.18

-15.32
5 FEIMM

1.89

-17.2

-15.31
6 PMFMM

2.12

-17.4

-15.28
7 KMFMM

1.98

-17.22

-15.24
8 KMIMM

2.08

-17.29

-15.21
9 RMIMM

2.19

-17.3

-15.11
10 PMIFM

2.18

-17.13

-14.95
11 FMIFM

2.0

-16.93

-14.93
12 KMIFM

2.06

-16.94

-14.88
13 REFMM

2.03

-16.91

-14.88
14 FIFMM

2.04

-16.74

-14.7
15 FMFMM

2.84

-17.5

-14.66
16 FMMMM

2.04

-16.54

-14.5
17 YMIMM

2.65

-17.14

-14.49
18 RMIFM

2.45

-16.92

-14.47
19 FMFFM

2.11

-16.4

-14.29
20 YMFMM

2.62

-16.82

-14.2
21 REIMM

2.64

-16.83

-14.19
22 PMFFM

2.59

-16.7

-14.11
23 KEFMM

2.03

-16.12

-14.09
24 FEFMM

1.86

-15.66

-13.8
25 KMFFM

3.09

-16.77

-13.68
26 FMLMM

2.12

-15.66

-13.54
27 YMIFM

2.25

-15.62

-13.37
28 YMFFM

2.97

-16.34

-13.37
29 RMFFM

3.04

-16.32

-13.28
30 FLFMM

1.99

-15.01

-13.02

 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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