Predicted ligand sequences


ADAN-name: 1IHJ2.PDB (view again the scoring matrix)

PDB name: [1IHJ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T E F C 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    

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Intraclash 3.001 ΔGbinding -8.800
TOTAL
 -5.799
Backbone Hb -6.750 Cis_bond 0.000
Sidechain Hb -1.040 Torsional clash 0.080
Van der Waals -6.690 Backbone clash 1.310
Electrostatics -0.330 Helix dipole -0.160
Solvation Polar 10.570 Water bridges -0.480
Solvation Hyd -8.510 Disulfide -3.000
VdW clashes 0.850 Electrost. Kon -0.010
Entropy sc 3.130 Part.cov.bonds 0.000
Entropy mc

3.540

 ΔGstability

10.730
       

Predicted ligand sequences for template [1IHJ2.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).
 
  1IHJ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPFCN 0.0
2 MEFCN 0.02
3 MSFCN 0.05
4 MGFCN 0.06
5 MNFCN 0.07
6 MPFCE 0.08
7 MEFCE 0.1
8 MSFCE 0.13
9 MGFCE 0.14
10 MPFCM 0.14
11 MNFCE 0.15
12 MEFCM 0.16
13 MSFCM 0.19
14 MPFCL 0.19
15 MGFCM 0.2
16 MNFCM 0.21
17 MEFCL 0.21
18 MPFCC 0.21
19 MEFCC 0.23
20 MSFCL 0.24
21 MGFCL 0.25
22 MSFCC 0.26
23 MNFCL 0.26
24 MGFCC 0.27
25 MNFCC 0.28
26 IPFCN 0.37
27 IEFCN 0.39
28 ISFCN 0.42
29 IGFCN 0.43
30 INFCN 0.44
31 IPFCE 0.46
32 IEFCE 0.47
33 ISFCE 0.5
34 IPFCM 0.51
35 INFCE 0.52
36 IGFCE 0.52
37 IEFCM 0.53
38 MPMCN 0.54
39 MEMCN 0.55
40 ISFCM 0.56
41 IPFCL 0.56
42 IGFCM 0.57
43 MSMCN 0.58
44 INFCM 0.58
45 IEFCL 0.58
46 IPFCC 0.58
47 MGMCN 0.59
48 IEFCC 0.6
49 MNMCN 0.6
50 ISFCL 0.61
51 IGFCL 0.62
52 MPMCE 0.62
53 ISFCC 0.63
54 INFCL 0.63
55 MEMCE 0.64
56 INFCC 0.65
57 IGFCC 0.65
58 MSMCE 0.67
59 MGMCE 0.68
60 MPMCM 0.68
61 MEMCM 0.69
62 MNMCE 0.69
63 MSMCM 0.72
64 MGMCM 0.73
65 MPMCL 0.73
66 MNMCM 0.74
67 MEMCL 0.75
68 MPMCC 0.75
69 MEMCC 0.77
70 MSMCL 0.78
71 MGMCL 0.79
72 MSMCC 0.8
73 MNMCL 0.8
74 MGMCC 0.81
75 MNMCC 0.82
76 IPMCN 0.91
77 IEMCN 0.93
78 ISMCN 0.96
79 IGMCN 0.97
80 INMCN 0.98
81 IPMCE 0.99
82 IEMCE 1.01
83 ISMCE 1.04
84 IGMCE 1.05
85 IPMCM 1.05
86 INMCE 1.06
87 IEMCM 1.07
88 IPMCL 1.1
89 ISMCM 1.1
90 IGMCM 1.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MEFCL

2.04

-12.92

-10.88
2 MPFCL

1.94

-12.43

-10.49
3 MGFCM

3.47

-13.8

-10.33
4 MGFCL

2.16

-12.48

-10.32
5 MSFCN

2.07

-12.31

-10.24
6 MPFCN

2.09

-12.31

-10.22
7 MSFCM

3.46

-13.68

-10.22
8 MEFCN

2.09

-12.13

-10.04
9 MNFCL

2.81

-12.81

-10.0
10 MGFCN

1.82

-11.55

-9.73
11 IGFCN

2.32

-11.83

-9.51
12 IPFCN

2.38

-11.52

-9.14
13 MNFCM

3.12

-12.16

-9.04
14 MSFCC

2.03

-11.04

-9.01
15 MPFCC

1.86

-10.84

-8.98
16 MEFCE

2.15

-11.09

-8.94
17 INFCN

3.06

-11.83

-8.77
18 ISFCN

2.36

-11.1

-8.74
19 MGFCC

1.95

-10.64

-8.69
20 MEFCC

2.07

-10.75

-8.68
21 IEFCN

2.41

-11.03

-8.62
22 MPFCM

4.92

-13.49

-8.57
23 MNFCN

2.9

-11.37

-8.47
24 MGFCE

2.04

-10.48

-8.44
25 MNFCC

2.49

-10.82

-8.33
26 MNFCE

2.73

-10.82

-8.09
27 MSFCE

2.36

-10.32

-7.96
28 MEFCM

3.42

-10.7

-7.28
29 MSFCL

2.61

-9.53

-6.92
30 MPFCE

2.41

-7.61

-5.2

 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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