Predicted ligand sequences


ADAN-name: 2R4H2.PDB (view again the scoring matrix)

PDB name: [2R4H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G E T S V
position 1 2 3 4 5
poly-Ala 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 1.746 ΔGbinding -8.250
TOTAL
 -6.504
Backbone Hb -7.740 Cis_bond 0.000
Sidechain Hb -4.920 Torsional clash 0.690
Van der Waals -8.050 Backbone clash 1.520
Electrostatics -1.790 Helix dipole 0.030
Solvation Polar 15.630 Water bridges -0.270
Solvation Hyd -9.490 Disulfide 0.000
VdW clashes 0.280 Electrost. Kon -1.350
Entropy sc 5.930 Part.cov.bonds 0.000
Entropy mc

2.810

 ΔGstability

-8.590
       

Predicted ligand sequences for template [2R4H2.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).
 
  2R4H2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FMDYM 0.0
2 FDDYM 0.01
3 FMEYM 0.1
4 FDEYM 0.11
5 FMTYM 0.11
6 FDTYM 0.13
7 FMFYM 0.16
8 FDFYM 0.18
9 TMDYM 0.19
10 TDDYM 0.2
11 VMDYM 0.21
12 VDDYM 0.22
13 FMDYV 0.24
14 YMDYM 0.25
15 FDDYV 0.25
16 YDDYM 0.27
17 TMEYM 0.29
18 TMTYM 0.3
19 TDEYM 0.3
20 VMEYM 0.31
21 TDTYM 0.32
22 VDEYM 0.32
23 VMTYM 0.32
24 VDTYM 0.34
25 FMEYV 0.34
26 FDEYV 0.35
27 YMEYM 0.35
28 FMTYV 0.35
29 TMFYM 0.35
30 YDEYM 0.36
31 VMFYM 0.37
32 FDTYV 0.37
33 YMTYM 0.37
34 TDFYM 0.37
35 YDTYM 0.38
36 VDFYM 0.39
37 FMFYV 0.4
38 YMFYM 0.42
39 FDFYV 0.42
40 YDFYM 0.43
41 TMDYV 0.43
42 TDDYV 0.44
43 VMDYV 0.45
44 VDDYV 0.46
45 YMDYV 0.49
46 FVDYM 0.49
47 YDDYV 0.51
48 TMEYV 0.53
49 TMTYV 0.54
50 TDEYV 0.54
51 VMEYV 0.55
52 TDTYV 0.56
53 VDEYV 0.56
54 VMTYV 0.56
55 VDTYV 0.58
56 FVEYM 0.59
57 YMEYV 0.59
58 TMFYV 0.59
59 YDEYV 0.6
60 VMFYV 0.61
61 FVTYM 0.61
62 YMTYV 0.61
63 TDFYV 0.61
64 YDTYV 0.62
65 VDFYV 0.63
66 YMFYV 0.66
67 FVFYM 0.66
68 YDFYV 0.67
69 TVDYM 0.68
70 VVDYM 0.7
71 FVDYV 0.73
72 YVDYM 0.75
73 TVEYM 0.78
74 VVEYM 0.8
75 TVTYM 0.8
76 VVTYM 0.81
77 FVEYV 0.83
78 YVEYM 0.84
79 TVFYM 0.85
80 FVTYV 0.85
81 VVFYM 0.86
82 YVTYM 0.86
83 FVFYV 0.9
84 YVFYM 0.91
85 TVDYV 0.92
86 VVDYV 0.94
87 YVDYV 0.99
88 TVEYV 1.02
89 VVEYV 1.04
90 TVTYV 1.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMDYV

1.38

-13.05

-11.67
2 FMEYV

1.96

-13.0

-11.04
3 FDDYV

1.29

-12.17

-10.88
4 YMDYM

1.29

-11.53

-10.24
5 FDEYM

1.22

-11.38

-10.16
6 TDEYM

1.23

-11.37

-10.14
7 FDDYM

1.1

-11.22

-10.12
8 VMTYM

1.33

-11.25

-9.92
9 FMEYM

2.06

-11.96

-9.9
10 VDTYM

1.52

-11.38

-9.86
11 VMEYM

1.66

-11.14

-9.48
12 TDTYM

1.41

-10.82

-9.41
13 VDEYM

1.48

-10.77

-9.29
14 VMDYM

1.6

-10.62

-9.02
15 FMFYM

2.15

-11.09

-8.94
16 VDDYM

1.51

-10.4

-8.89
17 YDDYM

1.23

-9.94

-8.71
18 YMEYM

2.92

-11.3

-8.38
19 FMDYM

2.0

-10.38

-8.38
20 TMEYM

1.49

-9.85

-8.36
21 TMDYM

1.38

-9.71

-8.33
22 FMTYV

1.76

-9.96

-8.2
23 FMTYM

1.45

-9.58

-8.13
24 FDTYM

1.44

-9.21

-7.77
25 TDDYM

1.73

-9.34

-7.61
26 TMTYM

2.68

-9.68

-7.0
27 YDEYM

1.32

-7.49

-6.17
28 FDEYV

1.75

-7.74

-5.99
29 FDFYM

2.66

-7.78

-5.12
30 TMFYM

2.92

-5.07

-2.15

 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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