Predicted ligand sequences


ADAN-name: 1OBY3.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    

(Help)

Intraclash 3.051 ΔGbinding -12.600
TOTAL
 -9.549
Backbone Hb -9.160 Cis_bond 0.000
Sidechain Hb -1.720 Torsional clash 0.090
Van der Waals -8.730 Backbone clash 2.370
Electrostatics -0.590 Helix dipole -0.040
Solvation Polar 13.600 Water bridges -0.730
Solvation Hyd -11.390 Disulfide 0.000
VdW clashes 0.090 Electrost. Kon -0.440
Entropy sc 3.940 Part.cov.bonds 0.000
Entropy mc

2.480

 ΔGstability

0.960
       

Predicted ligand sequences for template [1OBY3.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).
 
  1OBY3.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMIMM 0.0
2 FMIMM 0.04
3 RMFMM 0.06
4 YMIMM 0.06
5 FMFMM 0.1
6 IMIMM 0.1
7 YMFMM 0.12
8 RIIMM 0.14
9 PMIMM 0.15
10 IMFMM 0.16
11 FIIMM 0.18
12 RWIMM 0.18
13 RIFMM 0.2
14 YIIMM 0.2
15 PMFMM 0.21
16 FWIMM 0.22
17 REIMM 0.23
18 IIIMM 0.24
19 RWFMM 0.24
20 YWIMM 0.24
21 FIFMM 0.24
22 RMMMM 0.26
23 YIFMM 0.26
24 FEIMM 0.28
25 IWIMM 0.28
26 FWFMM 0.28
27 PIIMM 0.29
28 REFMM 0.29
29 FMMMM 0.3
30 IIFMM 0.3
31 YWFMM 0.3
32 YEIMM 0.3
33 PWIMM 0.33
34 FEFMM 0.33
35 IEIMM 0.33
36 YMMMM 0.33
37 IWFMM 0.34
38 RMLMM 0.34
39 RLIMM 0.34
40 PIFMM 0.35
41 YEFMM 0.36
42 IMMMM 0.36
43 FMLMM 0.38
44 PEIMM 0.38
45 PWFMM 0.38
46 FLIMM 0.38
47 RLFMM 0.39
48 IEFMM 0.39
49 RIMMM 0.4
50 YLIMM 0.4
51 YMLMM 0.41
52 RMYMM 0.41
53 PMMMM 0.41
54 FLFMM 0.44
55 PEFMM 0.44
56 ILIMM 0.44
57 IMLMM 0.44
58 RWMMM 0.44
59 FIMMM 0.45
60 FMYMM 0.45
61 YLFMM 0.46
62 YIMMM 0.47
63 PLIMM 0.48
64 YMYMM 0.48
65 RILMM 0.48
66 FWMMM 0.48
67 ILFMM 0.49
68 PMLMM 0.49
69 IIMMM 0.5
70 REMMM 0.5
71 YWMMM 0.51
72 IMYMM 0.51
73 RWLMM 0.52
74 FILMM 0.52
75 IWMMM 0.54
76 PLFMM 0.54
77 FEMMM 0.54
78 YILMM 0.55
79 PIMMM 0.55
80 RIYMM 0.55
81 YEMMM 0.56
82 FWLMM 0.56
83 PMYMM 0.56
84 RELMM 0.57
85 IILMM 0.58
86 YWLMM 0.58
87 RWYMM 0.59
88 PWMMM 0.59
89 FIYMM 0.59
90 RLMMM 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMIMM

2.01

-17.55

-15.54
2 FEIMM

2.11

-17.26

-15.15
3 YMIMM

1.94

-16.95

-15.01
4 PMFMM

2.12

-17.13

-15.01
5 IIIMM

2.2

-17.19

-14.99
6 RMIMM

2.31

-17.23

-14.92
7 REIMM

2.48

-17.39

-14.91
8 PIIMM

1.95

-16.83

-14.88
9 RMFMM

2.5

-17.37

-14.87
10 IMFMM

2.17

-17.03

-14.86
11 IMIMM

2.08

-16.93

-14.85
12 RIIMM

2.23

-17.03

-14.8
13 FMFMM

2.2

-16.87

-14.67
14 RWIMM

1.98

-16.62

-14.64
15 RMMMM

2.12

-16.68

-14.56
16 FMMMM

2.54

-17.09

-14.55
17 REFMM

2.3

-16.84

-14.54
18 PMIMM

2.27

-16.79

-14.52
19 IWIMM

2.07

-16.55

-14.48
20 YIIMM

2.26

-16.72

-14.46
21 YMFMM

2.64

-17.09

-14.45
22 FWIMM

2.02

-16.44

-14.42
23 YIFMM

2.28

-16.56

-14.28
24 FWFMM

2.32

-16.59

-14.27
25 FIFMM

2.43

-16.52

-14.09
26 FIIMM

1.99

-15.88

-13.89
27 IIFMM

2.09

-15.9

-13.81
28 RWFMM

2.05

-15.58

-13.53
29 RIFMM

2.67

-16.2

-13.53
30 YWIMM

1.91

-15.16

-13.25

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER