Predicted ligand sequences


ADAN-name: 1FCH2.PDB (view again the scoring matrix)

PDB name: [1FCH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Y Q S K L
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 3.168 ΔGbinding -14.819
TOTAL
 -11.651
Backbone Hb -4.675 Cis_bond 0.000
Sidechain Hb -5.200 Torsional clash 0.365
Van der Waals -10.910 Backbone clash 0.237
Electrostatics -7.730 Helix dipole -0.003
Solvation Polar 20.232 Water bridges 0.389
Solvation Hyd -13.393 Disulfide 0.000
VdW clashes 0.326 Electrost. Kon -2.272
Entropy sc 3.819 Part.cov.bonds 0.000
Entropy mc

4.232

 ΔGstability

-73.593
       

Predicted ligand sequences for template [1FCH2.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).
 
  1FCH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRNRM 0.0
2 WRNRM 0.02
3 FRNRM 0.14
4 MRNRL 0.17
5 WRNRL 0.2
6 FRNRL 0.31
7 MRERM 0.42
8 WRERM 0.45
9 FRERM 0.56
10 MRERL 0.6
11 WRERL 0.62
12 KRNRM 0.72
13 FRERL 0.74
14 RRNRM 0.77
15 KRNRL 0.9
16 MRCRM 0.93
17 RRNRL 0.94
18 WRCRM 0.96
19 MYNRM 1.0
20 WYNRM 1.02
21 FRCRM 1.07
22 MRCRL 1.11
23 MRNRH 1.12
24 WRCRL 1.13
25 FYNRM 1.14
26 WRNRH 1.15
27 KRERM 1.15
28 MYNRL 1.17
29 RRERM 1.19
30 WYNRL 1.2
31 FRCRL 1.25
32 FRNRH 1.26
33 FYNRL 1.31
34 KRERL 1.32
35 RRERL 1.37
36 MYERM 1.42
37 WYERM 1.45
38 MRERH 1.55
39 FYERM 1.56
40 WRERH 1.57
41 MYERL 1.6
42 WYERL 1.62
43 KRCRM 1.66
44 FRERH 1.69
45 RRCRM 1.7
46 KYNRM 1.73
47 FYERL 1.74
48 RYNRM 1.77
49 KRCRL 1.83
50 KRNRH 1.85
51 RRCRL 1.88
52 RRNRH 1.89
53 KYNRL 1.9
54 MYCRM 1.93
55 RYNRL 1.94
56 WYCRM 1.96
57 MRCRH 2.06
58 FYCRM 2.07
59 WRCRH 2.08
60 MYCRL 2.11
61 MYNRH 2.12
62 WYCRL 2.13
63 WYNRH 2.15
64 KYERM 2.15
65 RYERM 2.19
66 FRCRH 2.19
67 FYCRL 2.25
68 FYNRH 2.26
69 KRERH 2.27
70 RRERH 2.32
71 KYERL 2.32
72 RYERL 2.37
73 MYERH 2.55
74 WYERH 2.57
75 KYCRM 2.66
76 FYERH 2.69
77 RYCRM 2.7
78 KRCRH 2.78
79 RRCRH 2.83
80 KYCRL 2.83
81 KYNRH 2.85
82 RYCRL 2.88
83 RYNRH 2.89
84 MYCRH 3.05
85 WYCRH 3.08
86 FYCRH 3.19
87 KYERH 3.27
88 RYERH 3.32
89 KYCRH 3.78
90 RYCRH 3.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WRNRL

3.45

-21.29

-17.84
2 MRERL

4.42

-22.25

-17.83
3 WYNRL

3.07

-20.76

-17.69
4 MRNRM

3.54

-21.02

-17.48
5 FYNRM

2.93

-20.27

-17.34
6 WRNRM

3.05

-20.17

-17.12
7 MRNRL

3.24

-20.25

-17.01
8 MRCRM

3.5

-20.16

-16.66
9 MYNRM

3.13

-19.63

-16.5
10 KRNRL

3.53

-20.02

-16.49
11 MYNRL

3.15

-19.62

-16.47
12 WRNRH

3.43

-19.89

-16.46
13 FRNRL

4.69

-21.01

-16.32
14 MRCRL

3.22

-19.5

-16.28
15 RRNRM

3.52

-19.53

-16.01
16 WRCRM

2.97

-18.87

-15.9
17 FRCRM

3.09

-18.89

-15.8
18 FRNRM

3.58

-19.37

-15.79
19 KRNRM

3.69

-19.48

-15.79
20 WRCRL

3.54

-19.19

-15.65
21 MRERM

3.42

-18.92

-15.5
22 WRERM

3.44

-18.88

-15.44
23 WYNRM

3.27

-18.61

-15.34
24 RRNRL

5.13

-20.39

-15.26
25 FRERM

3.73

-18.86

-15.13
26 MRNRH

3.34

-17.63

-14.29
27 FRERL

3.23

-16.55

-13.32
28 RRERM

3.62

-15.9

-12.28
29 KRERM

3.32

-15.41

-12.09
30 WRERL

3.04

-14.55

-11.51

 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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