Predicted ligand sequences


ADAN-name: 1EJL3.PDB (view again the scoring matrix)

PDB name: [1EJL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P K K K R K V
position 1 2 3 4 5 6 7
poly-Ala A
A
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 4.168 ΔGbinding -16.656
TOTAL
 -12.488
Backbone Hb -8.437 Cis_bond 0.000
Sidechain Hb -12.175 Torsional clash 0.967
Van der Waals -13.595 Backbone clash 1.751
Electrostatics -3.224 Helix dipole -0.216
Solvation Polar 23.155 Water bridges -0.282
Solvation Hyd -15.150 Disulfide 0.000
VdW clashes 0.073 Electrost. Kon -1.503
Entropy sc 7.055 Part.cov.bonds 0.000
Entropy mc

6.675

 ΔGstability

-12.560
       

Predicted ligand sequences for template [1EJL3.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).
 
  1EJL3.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRKWIFW 0.0
2 KRKWIFW 0.01
3 yRKWIFW 0.37
4 HRKWLFW 0.38
5 KRKWLFW 0.39
6 WRKWIFW 0.42
7 MRKWIFW 0.45
8 HRKFIFW 0.47
9 KRKFIFW 0.48
10 HRKWIFM 0.63
11 KRKWIFM 0.64
12 HRKMIFW 0.64
13 KRKMIFW 0.65
14 yRKWLFW 0.75
15 HRKWIYW 0.76
16 KRKWIYW 0.77
17 WRKWLFW 0.8
18 MRKWLFW 0.83
19 yRKFIFW 0.84
20 HRKFLFW 0.85
21 KRKFLFW 0.85
22 WRKFIFW 0.89
23 MRKFIFW 0.92
24 yRKWIFM 1.0
25 yRKMIFW 1.01
26 HRKWLFM 1.01
27 HRKMLFW 1.02
28 KRKWLFM 1.02
29 KRKMLFW 1.03
30 WRKWIFM 1.05
31 WRKMIFW 1.06
32 MRKWIFM 1.08
33 MRKMIFW 1.09
34 HRKFIFM 1.1
35 KRKFIFM 1.11
36 yRKWIYW 1.13
37 HRKWLYW 1.14
38 KRKWLYW 1.15
39 WRKWIYW 1.18
40 yRKFLFW 1.21
41 MRKWIYW 1.21
42 HRKFIYW 1.23
43 KRKFIYW 1.24
44 WRKFLFW 1.27
45 KRKMIFM 1.28
46 HRKMIFM 1.28
47 MRKFLFW 1.3
48 yRKWLFM 1.38
49 yRKMLFW 1.39
50 HRKWIYM 1.39
51 HRKMIYW 1.4
52 KRKWIYM 1.4
53 KRKMIYW 1.41
54 WRKWLFM 1.43
55 WRKMLFW 1.44
56 MRKWLFM 1.46
57 yRKFIFM 1.47
58 MRKMLFW 1.47
59 HRKFLFM 1.48
60 KRKFLFM 1.49
61 yRKWLYW 1.5
62 WRKFIFM 1.52
63 MRKFIFM 1.55
64 WRKWLYW 1.56
65 MRKWLYW 1.59
66 yRKFIYW 1.6
67 HRKFLYW 1.61
68 KRKFLYW 1.62
69 yRKMIFM 1.64
70 WRKFIYW 1.65
71 HRKMLFM 1.65
72 KRKMLFM 1.66
73 MRKFIYW 1.68
74 WRKMIFM 1.7
75 MRKMIFM 1.73
76 yRKWIYM 1.76
77 HRKWLYM 1.77
78 yRKMIYW 1.77
79 KRKWLYM 1.78
80 HRKMLYW 1.78
81 KRKMLYW 1.79
82 WRKWIYM 1.81
83 WRKMIYW 1.82
84 MRKWIYM 1.84
85 yRKFLFM 1.85
86 MRKMIYW 1.85
87 HRKFIYM 1.86
88 KRKFIYM 1.87
89 WRKFLFM 1.9
90 MRKFLFM 1.93
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRKWIFM

2.61

-22.87

-20.26
2 HRKMLFW

2.6

-21.85

-19.25
3 WRKWLFW

2.89

-21.61

-18.72
4 WRKFIFW

2.26

-20.93

-18.67
5 HRKFIFW

2.87

-21.51

-18.64
6 HRKWLFM

2.35

-20.98

-18.63
7 KRKWIFM

2.59

-21.03

-18.44
8 KRKWIYW

2.55

-20.36

-17.81
9 KRKMIFW

2.46

-20.2

-17.74
10 yRKWIFM

2.64

-20.24

-17.6
11 HRKWLFW

2.31

-19.62

-17.31
12 KRKWIFW

2.88

-20.17

-17.29
13 WRKWIFM

2.72

-20.0

-17.28
14 yRKMIFW

2.64

-19.69

-17.05
15 HRKWIYW

2.55

-19.58

-17.03
16 HRKMIFW

2.83

-19.58

-16.75
17 WRKWIFW

2.56

-19.11

-16.55
18 yRKFIFW

2.6

-19.14

-16.54
19 MRKFIFW

2.72

-19.23

-16.51
20 KRKFLFW

3.05

-19.3

-16.25
21 MRKWIFW

2.96

-19.2

-16.24
22 HRKWIFW

2.98

-18.95

-15.97
23 HRKFLFW

1.96

-17.34

-15.38
24 KRKWLFM

2.95

-18.12

-15.17
25 KRKFIFW

3.03

-17.93

-14.9
26 KRKMLFW

2.74

-16.87

-14.13
27 KRKWLFW

3.15

-17.03

-13.88
28 yRKWIFW

3.56

-13.93

-10.37
29 yRKWLFW

3.89

-14.17

-10.28
30 MRKWLFW

3.55

-13.12

-9.57

 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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