Predicted ligand sequences


ADAN-name: 2I1N2.PDB (view again the scoring matrix)

PDB name: [2I1N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P E E T S V
position 1 2 3 4 5 6
poly-Ala
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 2.192 ΔGbinding -12.420
TOTAL
 -10.228
Backbone Hb -8.200 Cis_bond 0.000
Sidechain Hb -4.510 Torsional clash 0.100
Van der Waals -7.760 Backbone clash 0.650
Electrostatics -1.120 Helix dipole 0.000
Solvation Polar 14.020 Water bridges -0.370
Solvation Hyd -9.640 Disulfide 0.000
VdW clashes 0.420 Electrost. Kon -0.770
Entropy sc 2.650 Part.cov.bonds 0.000
Entropy mc

2.770

 ΔGstability

6.370
       

Predicted ligand sequences for template [2I1N2.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).
 
  2I1N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 LRMIFM 0.0
2 LRVIFM 0.04
3 LRMIMM 0.05
4 LRMMFM 0.07
5 LRVIMM 0.1
6 LRLIFM 0.11
7 LRVMFM 0.12
8 LRMDFM 0.12
9 LRMMMM 0.13
10 LRLIMM 0.16
11 LRVDFM 0.16
12 LRMDMM 0.17
13 LRVMMM 0.17
14 LRLMFM 0.19
15 LRVDMM 0.22
16 LRLDFM 0.23
17 LRLMMM 0.24
18 IRMIFM 0.27
19 LRLDMM 0.28
20 LRMIFV 0.3
21 IRVIFM 0.31
22 IRMIMM 0.32
23 IRMMFM 0.34
24 LRVIFV 0.34
25 LRMIMV 0.35
26 LRMILM 0.35
27 IRVIMM 0.36
28 LRMMFV 0.37
29 IRLIFM 0.38
30 IRVMFM 0.39
31 IRMDFM 0.39
32 LRVILM 0.39
33 IRMMMM 0.39
34 LRVIMV 0.4
35 LRLIFV 0.41
36 LRMMLM 0.42
37 LRVMFV 0.42
38 LRMMMV 0.42
39 LRMDFV 0.42
40 IRVDFM 0.43
41 IRLIMM 0.43
42 IRVMMM 0.44
43 IRMDMM 0.44
44 IRLMFM 0.45
45 LRLIMV 0.46
46 LRLILM 0.46
47 LRVDFV 0.46
48 LRMDLM 0.47
49 LRMDMV 0.47
50 LRVMLM 0.47
51 LRVMMV 0.47
52 IRVDMM 0.48
53 LRLMFV 0.48
54 IRLDFM 0.5
55 IRLMMM 0.5
56 LRVDMV 0.51
57 LRVDLM 0.51
58 LRLDFV 0.53
59 LRLMMV 0.53
60 LRLMLM 0.53
61 IRLDMM 0.55
62 IRMIFV 0.56
63 LRLDMV 0.58
64 LRLDLM 0.58
65 IRVIFV 0.61
66 IRMILM 0.62
67 IRMIMV 0.62
68 IRMMFV 0.64
69 LRMILV 0.65
70 IRVIMV 0.66
71 IRVILM 0.66
72 IRVMFV 0.68
73 IRMDFV 0.68
74 IRLIFV 0.68
75 LRVILV 0.69
76 IRMMLM 0.69
77 IRMMMV 0.69
78 LRMMLV 0.72
79 IRMDLM 0.73
80 IRVMLM 0.73
81 IRVDFV 0.73
82 IRLIMV 0.73
83 IRVMMV 0.73
84 IRMDMV 0.73
85 IRLILM 0.73
86 IRLMFV 0.75
87 LRLILV 0.76
88 LRMDLV 0.77
89 LRVMLV 0.77
90 IRVDMV 0.78
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 LRMMFV

1.7

-14.62

-12.92
2 LRVIFV

1.98

-14.02

-12.04
3 LRMIMV

1.64

-13.66

-12.02
4 LRLMMM

2.35

-13.84

-11.49
5 LRLIMM

2.36

-13.7

-11.34
6 IRMMFM

2.36

-13.54

-11.18
7 LRVDFM

1.67

-12.84

-11.17
8 LRMDFM

1.58

-12.74

-11.16
9 LRMMFM

2.39

-13.47

-11.08
10 IRVMFM

2.05

-13.1

-11.05
11 LRVIFM

1.83

-12.87

-11.04
12 LRMIFV

2.38

-13.38

-11.0
13 LRVMFM

1.89

-12.79

-10.9
14 LRMMMM

2.53

-13.23

-10.7
15 IRMIMM

2.5

-13.2

-10.7
16 IRMIFM

2.41

-12.97

-10.56
17 LRLDFM

2.35

-12.9

-10.55
18 LRLDMM

2.1

-12.64

-10.54
19 LRVDMM

1.94

-12.46

-10.52
20 LRVMMM

2.31

-12.76

-10.45
21 LRMIMM

2.42

-12.86

-10.44
22 LRMILM

2.55

-12.93

-10.38
23 IRVIMM

2.06

-12.31

-10.25
24 LRMDMM

2.33

-12.53

-10.2
25 IRVIFM

2.18

-12.31

-10.13
26 LRLIFM

2.53

-12.47

-9.94
27 LRLMFM

2.83

-12.67

-9.84
28 LRMIFM

2.52

-12.29

-9.77
29 LRVIMM

2.01

-11.43

-9.42
30 IRLIFM

2.89

-11.81

-8.92

 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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