Predicted ligand sequences


ADAN-name: 1V1T2.PDB (view again the scoring matrix)

PDB name: [1V1T.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N E Y K V
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 1.253 ΔGbinding -11.380
TOTAL
 -10.127
Backbone Hb -8.200 Cis_bond 0.000
Sidechain Hb -0.700 Torsional clash 0.030
Van der Waals -8.320 Backbone clash 1.070
Electrostatics -1.150 Helix dipole -0.010
Solvation Polar 12.620 Water bridges -0.420
Solvation Hyd -11.400 Disulfide 0.000
VdW clashes 0.860 Electrost. Kon -0.450
Entropy sc 3.900 Part.cov.bonds 0.000
Entropy mc

1.860

 ΔGstability

-8.810
       

Predicted ligand sequences for template [1V1T2.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).
 
  1V1T2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WMIMV 0.0
2 RMIMV 0.06
3 WMILV 0.09
4 RMILV 0.15
5 WMFMV 0.2
6 WMIMQ 0.24
7 HMIMV 0.25
8 RMFMV 0.27
9 WMFLV 0.29
10 FMIMV 0.3
11 RMIMQ 0.3
12 WMILQ 0.32
13 HMILV 0.34
14 RMFLV 0.35
15 WMIMI 0.37
16 WIIMV 0.38
17 FMILV 0.39
18 RMILQ 0.39
19 RMIMI 0.43
20 WMFMQ 0.44
21 RIIMV 0.44
22 WMILI 0.45
23 HMFMV 0.46
24 WIILV 0.47
25 HMIMQ 0.49
26 FMFMV 0.51
27 RMFMQ 0.51
28 RMILI 0.51
29 WMFLQ 0.53
30 RIILV 0.53
31 FMIMQ 0.54
32 HMFLV 0.54
33 WMFMI 0.57
34 HMILQ 0.58
35 FMFLV 0.59
36 WIFMV 0.59
37 RMFLQ 0.59
38 WIIMQ 0.62
39 HMIMI 0.62
40 HIIMV 0.63
41 FMILQ 0.63
42 RMFMI 0.63
43 RIFMV 0.65
44 WMFLI 0.66
45 FMIMI 0.67
46 WIFLV 0.67
47 RIIMQ 0.68
48 FIIMV 0.69
49 HMFMQ 0.7
50 WIILQ 0.71
51 HMILI 0.71
52 HIILV 0.72
53 RMFLI 0.72
54 RIFLV 0.73
55 FMFMQ 0.75
56 WIIMI 0.75
57 FMILI 0.76
58 FIILV 0.77
59 RIILQ 0.77
60 HMFLQ 0.78
61 RIIMI 0.81
62 WIFMQ 0.82
63 WIILI 0.83
64 FMFLQ 0.83
65 HMFMI 0.83
66 HIFMV 0.84
67 HIIMQ 0.87
68 FMFMI 0.88
69 RIFMQ 0.89
70 FIFMV 0.89
71 RIILI 0.9
72 HMFLI 0.91
73 WIFLQ 0.91
74 HIFLV 0.92
75 FIIMQ 0.92
76 WIFMI 0.95
77 FMFLI 0.96
78 HIILQ 0.96
79 RIFLQ 0.97
80 FIFLV 0.98
81 HIIMI 1.0
82 FIILQ 1.01
83 RIFMI 1.02
84 WIFLI 1.04
85 FIIMI 1.05
86 HIFMQ 1.08
87 HIILI 1.09
88 RIFLI 1.1
89 FIFMQ 1.13
90 FIILI 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FMIMV

1.67

-15.1

-13.43
2 RMILI

2.48

-15.85

-13.37
3 FMILV

1.88

-15.14

-13.26
4 RMILV

1.84

-15.08

-13.24
5 RIILV

2.14

-15.33

-13.19
6 RIIMV

1.87

-15.03

-13.16
7 WMILV

1.43

-14.56

-13.13
8 HMILV

1.94

-14.99

-13.05
9 RMIMV

1.77

-14.8

-13.03
10 RMIMI

2.22

-15.2

-12.98
11 HMFMV

1.18

-14.14

-12.96
12 RMFMV

1.37

-14.17

-12.8
13 HMIMV

1.68

-14.3

-12.62
14 RMFLV

1.84

-14.42

-12.58
15 WMILI

2.34

-14.74

-12.4
16 WMIMV

2.2

-14.52

-12.32
17 WIIMV

2.56

-14.71

-12.15
18 WIILV

2.5

-14.47

-11.97
19 WMILQ

2.01

-13.63

-11.62
20 FMFMV

1.93

-13.52

-11.59
21 WMIMQ

1.41

-12.79

-11.38
22 WMIMI

1.9

-13.27

-11.37
23 RMIMQ

1.55

-12.56

-11.01
24 HMIMQ

1.52

-12.47

-10.95
25 WMFMV

1.63

-12.08

-10.45
26 RMFMQ

1.63

-12.05

-10.42
27 WMFLV

1.62

-11.93

-10.31
28 RMILQ

1.84

-12.09

-10.25
29 WMFMQ

1.5

-9.5

-8.0
30 WMFLQ

1.54

-9.32

-7.78

 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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