Predicted ligand sequences


ADAN-name: 1EJY2.PDB (view again the scoring matrix)

PDB name: [1EJY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R P A A T K K A G Q A K K K K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala A
A
A
A
A
 A
A
A
 A
G
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 9.395 ΔGbinding -17.435
TOTAL
 -8.040
Backbone Hb -5.850 Cis_bond 0.000
Sidechain Hb -13.300 Torsional clash 1.517
Van der Waals -14.455 Backbone clash 2.931
Electrostatics -4.811 Helix dipole -0.126
Solvation Polar 22.338 Water bridges -0.165
Solvation Hyd -15.965 Disulfide 0.000
VdW clashes 1.389 Electrost. Kon -2.631
Entropy sc 6.566 Part.cov.bonds 0.000
Entropy mc

8.058

 ΔGstability

26.118
       

Predicted ligand sequences for template [1EJY2.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).
 
  1EJY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FLNFGLDPEGWDRMWW 0.0
2 FLNFGLDPEGWDRMFW 0.07
3 FLNFGLDPMGWDRMWW 0.07
4 HLNFGLDPEGWDRMWW 0.08
5 FLNYGLDPEGWDRMWW 0.09
6 FLNFGLDPDGWDRMWW 0.11
7 FLNFGLDDEGWDRMWW 0.13
8 FWNFGLDPEGWDRMWW 0.13
9 FLNFGLDPMGWDRMFW 0.14
10 HLNFGLDPMGWDRMWW 0.15
11 FLNYGLDPMGWDRMWW 0.16
12 HLNFGLDPEGWDRMFW 0.16
13 FLNYGLDPEGWDRMFW 0.16
14 HLNYGLDPEGWDRMWW 0.17
15 FLNFGLDPEGWDRWWW 0.17
16 FLNFGLDPDGWDRMFW 0.18
17 FLNFGLDVEGWDRMWW 0.18
18 HLNFGLDPDGWDRMWW 0.19
19 FLNYGLDPDGWDRMWW 0.19
20 FWNFGLDPEGWDRMFW 0.2
21 FWNFGLDPMGWDRMWW 0.2
22 FLNFGLDDEGWDRMFW 0.2
23 FLNFGLDDMGWDRMWW 0.2
24 FLNFGQDPEGWDRMWW 0.21
25 HLNFGLDDEGWDRMWW 0.21
26 FLNYGLDDEGWDRMWW 0.21
27 HWNFGLDPEGWDRMWW 0.21
28 HLNFGLDPMGWDRMFW 0.22
29 FWNYGLDPEGWDRMWW 0.22
30 FLNYGLDPMGWDRMFW 0.23
31 FWNFGLDPDGWDRMWW 0.23
32 FLNFGLDDDGWDRMWW 0.23
33 HLNYGLDPEGWDRMFW 0.24
34 FLNFGLDPEGWDRWFW 0.24
35 FLNFGLDPMGWDRWWW 0.24
36 HLNYGLDPMGWDRMWW 0.24
37 FLNFGLDVEGWDRMFW 0.25
38 FLNFGLDVMGWDRMWW 0.25
39 HLNFGLDVEGWDRMWW 0.26
40 HLNFGLDPDGWDRMFW 0.26
41 FWNFGLDDEGWDRMWW 0.26
42 FLNYGLDPDGWDRMFW 0.26
43 HLNFGLDPEGWDRWWW 0.26
44 FLNYGLDPEGWDRWWW 0.26
45 FWNFGLDPMGWDRMFW 0.27
46 FLNYGLDVEGWDRMWW 0.27
47 FLNFGNDPEGWDRMWW 0.27
48 FLNFGLDDMGWDRMFW 0.27
49 HLNFGLDDEGWDRMFW 0.28
50 HLNYGLDPDGWDRMWW 0.28
51 HWNFGLDPMGWDRMWW 0.28
52 FLNFGQDPMGWDRMWW 0.28
53 FLNFGLDVDGWDRMWW 0.28
54 FLNFGLDPDGWDRWWW 0.28
55 FWNYGLDPMGWDRMWW 0.28
56 FLNYGLDDMGWDRMWW 0.28
57 HLNFGLDDMGWDRMWW 0.28
58 FLNFGQDPEGWDRMFW 0.28
59 FLNYGQDPEGWDRMWW 0.29
60 FWNYGLDPEGWDRMFW 0.29
61 FLNYGLDDEGWDRMFW 0.29
62 HWNFGLDPEGWDRMFW 0.29
63 FLNFGLDPEGWDRMMW 0.29
64 HLNFGQDPEGWDRMWW 0.29
65 FLNFGLDDEGWDRWWW 0.3
66 HLNYGLDDEGWDRMWW 0.3
67 FWNFGLDPEGWDRWWW 0.3
68 FLNFGLDPEGWDRRWW 0.3
69 FLNFGLDDDGWDRMFW 0.3
70 HWNYGLDPEGWDRMWW 0.3
71 FWNFGLDPDGWDRMFW 0.31
72 HLNYGLDPMGWDRMFW 0.31
73 FLNFGLDPMGWDRWFW 0.31
74 FWNFGLDVEGWDRMWW 0.31
75 FLNFGQDPDGWDRMWW 0.31
76 FWNYGLDPDGWDRMWW 0.32
77 FWNFGLDDMGWDRMWW 0.32
78 FLNYGLDDDGWDRMWW 0.32
79 HLNFGLDDDGWDRMWW 0.32
80 FLNFGLDVMGWDRMFW 0.32
81 HLNFGLDPMGWDRWWW 0.32
82 HWNFGLDPDGWDRMWW 0.32
83 HLNFGLDPEGWDRWFW 0.33
84 HLNFGLDVMGWDRMWW 0.33
85 FWNFGLDDEGWDRMFW 0.33
86 FLNFGQDDEGWDRMWW 0.33
87 FLNYGLDPMGWDRWWW 0.33
88 FLNYGLDPEGWDRWFW 0.33
89 FLNFGNDPEGWDRMFW 0.34
90 FLNYGLDVMGWDRMWW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FLNFGLDDMGWDRMWW

7.11

-24.43

-17.32
2 FLNYGLDPEGWDRMWW

7.75

-24.28

-16.53
3 FWNFGLDPMGWDRMWW

9.46

-25.34

-15.88
4 HLNYGLDPEGWDRMWW

5.18

-20.99

-15.81
5 FLNFGLDPEGWDRMWW

8.46

-24.2

-15.74
6 HWNFGLDPEGWDRMWW

5.62

-21.31

-15.69
7 FWNFGLDPEGWDRMFW

6.96

-22.62

-15.66
8 FLNFGLDDEGWDRMFW

7.23

-22.49

-15.26
9 HLNFGLDDEGWDRMWW

7.09

-22.06

-14.97
10 FWNYGLDPEGWDRMWW

7.96

-22.8

-14.84
11 FLNFGQDPEGWDRMWW

8.79

-23.48

-14.69
12 FLNYGLDPDGWDRMWW

7.42

-21.94

-14.52
13 FLNYGLDDEGWDRMWW

6.84

-20.82

-13.98
14 FLNFGLDPMGWDRMWW

9.76

-23.72

-13.96
15 HLNFGLDPEGWDRMWW

8.61

-22.48

-13.87
16 FLNFGLDPDGWDRMWW

6.89

-20.62

-13.73
17 FWNFGLDPEGWDRMWW

8.68

-22.25

-13.57
18 FLNYGLDPEGWDRMFW

6.93

-20.39

-13.46
19 FLNFGLDDEGWDRMWW

8.96

-22.26

-13.3
20 HLNFGLDPEGWDRMFW

9.22

-22.4

-13.18
21 HLNFGLDPDGWDRMWW

9.31

-22.49

-13.18
22 FLNFGLDPEGWDRMFW

8.25

-21.35

-13.1
23 HLNFGLDPMGWDRMFW

10.23

-22.86

-12.63
24 HLNFGLDPMGWDRMWW

9.3

-21.86

-12.56
25 FLNFGLDPDGWDRMFW

7.27

-19.76

-12.49
26 FLNFGLDPEGWDRWWW

8.64

-21.07

-12.43
27 FLNFGLDPMGWDRMFW

9.9

-22.27

-12.37
28 FLNFGLDVEGWDRMWW

8.38

-20.68

-12.3
29 FLNYGLDPMGWDRMWW

9.87

-20.77

-10.9
30 FLNYGLDPMGWDRMFW

11.79

-22.43

-10.64

 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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