Predicted ligand sequences


ADAN-name: 1Y573.PDB (view again the scoring matrix)

PDB name: [1Y57.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P Q T Q G L A K D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A
A
A
 A
G
 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 1.086 ΔGbinding -7.270
TOTAL
 -6.184
Backbone Hb -3.830 Cis_bond 0.000
Sidechain Hb -5.750 Torsional clash 0.060
Van der Waals -9.330 Backbone clash 0.430
Electrostatics -0.060 Helix dipole 0.000
Solvation Polar 11.820 Water bridges -0.690
Solvation Hyd -11.180 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -0.030
Entropy sc 6.250 Part.cov.bonds 0.000
Entropy mc

5.140

 ΔGstability

7.150
       

Predicted ligand sequences for template [1Y573.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).
 
  1Y573.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPYMPGERWF 0.0
2 RPIMPGERWF 0.01
3 RPKMPGERWF 0.01
4 RMYMPGERWF 0.04
5 RMKMPGERWF 0.05
6 RMIMPGERWF 0.05
7 RPYMNGERWF 0.07
8 RPIMNGERWF 0.08
9 RPKMNGERWF 0.09
10 RPYMPGDRWF 0.1
11 RPIMPGDRWF 0.11
12 RPKMPGDRWF 0.11
13 RMYMNGERWF 0.11
14 RPYMPGERWK 0.11
15 RPIMPGERWK 0.12
16 RPKMPGERWK 0.12
17 RMIMNGERWF 0.12
18 RMKMNGERWF 0.13
19 RMYMPGDRWF 0.14
20 RMYMPGERWK 0.15
21 RMKMPGDRWF 0.15
22 RMIMPGDRWF 0.15
23 RPYMPGERWY 0.15
24 RPIMPGERWY 0.16
25 RMKMPGERWK 0.16
26 RMIMPGERWK 0.16
27 RPKMPGERWY 0.17
28 RPYMNGDRWF 0.17
29 REYMPGERWF 0.17
30 RPKMNGDRWF 0.18
31 REIMPGERWF 0.18
32 RPIMNGDRWF 0.18
33 REKMPGERWF 0.18
34 RPYMNGERWK 0.18
35 RMYMPGERWY 0.19
36 RPYMMGERWF 0.19
37 RPIMNGERWK 0.19
38 RPKMNGERWK 0.2
39 RPIMMGERWF 0.2
40 RMIMPGERWY 0.2
41 RPKMMGERWF 0.2
42 RMKMPGERWY 0.21
43 RMYMNGDRWF 0.21
44 RPYMPGDRWK 0.21
45 RPIMPGDRWK 0.22
46 RPKMPGDRWK 0.22
47 RMIMNGDRWF 0.22
48 RMYMNGERWK 0.22
49 RMKMNGDRWF 0.22
50 RMKMNGERWK 0.23
51 RMYMMGERWF 0.23
52 RMIMNGERWK 0.23
53 RPYMNGERWY 0.23
54 RMIMMGERWF 0.24
55 RMKMMGERWF 0.24
56 RPKMNGERWY 0.24
57 RPYMPGERDF 0.24
58 RPIMNGERWY 0.24
59 REYMNGERWF 0.24
60 RPKMPGERDF 0.25
61 REIMNGERWF 0.25
62 RPIMPGERDF 0.25
63 RMYMPGDRWK 0.25
64 RPYMPGDRWY 0.25
65 REKMNGERWF 0.25
66 RMKMPGDRWK 0.26
67 RPIMPGDRWY 0.26
68 RPKMPGDRWY 0.26
69 REYMPGDRWF 0.26
70 MPYMPGERWF 0.26
71 RMIMPGDRWK 0.26
72 RMYMNGERWY 0.27
73 REIMPGDRWF 0.27
74 MPKMPGERWF 0.27
75 MPIMPGERWF 0.27
76 RMKMNGERWY 0.28
77 REKMPGDRWF 0.28
78 RMIMNGERWY 0.28
79 RPYMNGDRWK 0.28
80 RMYMPGERDF 0.28
81 REYMPGERWK 0.28
82 RPYMMGDRWF 0.29
83 RPKMNGDRWK 0.29
84 REIMPGERWK 0.29
85 REKMPGERWK 0.29
86 RPIMNGDRWK 0.29
87 RMIMPGERDF 0.29
88 RMKMPGERDF 0.29
89 RMYMPGDRWY 0.29
90 RMKMPGDRWY 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPYMNGDRWF

1.78

-15.43

-13.65
2 RMKMPGDRWF

3.48

-16.27

-12.79
3 RMYMPGERWK

2.05

-14.84

-12.79
4 RMYMPGDRWF

3.0

-15.74

-12.74
5 RPKMPGDRWF

2.88

-15.51

-12.63
6 RMYMPGERWF

1.86

-14.03

-12.17
7 RMIMNGERWF

2.19

-14.2

-12.01
8 RMYMNGERWF

2.31

-14.2

-11.89
9 RPIMNGERWF

2.59

-14.4

-11.81
10 RMIMPGERWF

2.11

-13.8

-11.69
11 RPKMNGDRWF

1.95

-13.63

-11.68
12 RPKMPGERWF

2.99

-14.46

-11.47
13 RPYMPGDRWF

2.66

-13.97

-11.31
14 RPIMPGDRWF

1.79

-13.07

-11.28
15 RPIMPGERWK

1.89

-12.86

-10.97
16 RPYMNGERWF

1.92

-12.62

-10.7
17 RPIMPGERWF

2.84

-13.48

-10.64
18 RPKMNGERWF

1.77

-12.38

-10.61
19 RMKMPGERWK

1.97

-12.56

-10.59
20 RMKMNGERWF

2.31

-12.88

-10.57
21 RMIMPGERWK

2.2

-12.66

-10.46
22 RPKMPGERWY

2.6

-13.04

-10.44
23 RPKMPGERWK

2.07

-12.44

-10.37
24 REYMPGERWF

1.84

-11.79

-9.95
25 RPYMPGERWK

1.98

-11.92

-9.94
26 RPIMPGERWY

2.79

-12.07

-9.28
27 RPYMPGERWF

2.75

-11.77

-9.02
28 RMKMPGERWF

2.23

-11.13

-8.9
29 RPYMPGERWY

2.76

-11.52

-8.76
30 RMIMPGDRWF

3.22

-11.52

-8.3

 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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