Predicted ligand sequences


ADAN-name: 1NTV2.PDB (view again the scoring matrix)

PDB name: [1NTV.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N F D N P V Y R K T
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
 A
A
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    

(Help)

Intraclash 2.052 ΔGbinding -22.299
TOTAL
 -20.247
Backbone Hb -7.012 Cis_bond 0.000
Sidechain Hb -5.800 Torsional clash 0.483
Van der Waals -14.365 Backbone clash 0.547
Electrostatics -0.756 Helix dipole 0.003
Solvation Polar 17.344 Water bridges -0.274
Solvation Hyd -19.174 Disulfide 0.000
VdW clashes 0.208 Electrost. Kon -0.555
Entropy sc 3.219 Part.cov.bonds 0.000
Entropy mc

4.381

 ΔGstability

-9.881
       

Predicted ligand sequences for template [1NTV2.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).
 
  1NTV2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFIVWDEyMW 0.0
2 MFIVWVEyMW 0.04
3 QFIVWDEyMW 0.09
4 QFIVWVEyMW 0.12
5 MFIVWDEMMW 0.13
6 MFIVWVEMMW 0.16
7 MFIVWDEyRW 0.19
8 QFIVWDEMMW 0.21
9 MFIVWFEyMW 0.22
10 MFIVWVEyRW 0.23
11 QFIVWVEMMW 0.25
12 QFIVWDEyRW 0.28
13 MFIVWDEFMW 0.28
14 QFIVWFEyMW 0.31
15 QFIVWVEyRW 0.31
16 MFIVWDEMRW 0.32
17 MFIVWVEFMW 0.32
18 MFyVWDEyMW 0.33
19 MFFVWDEyMW 0.33
20 MFIVWVEMRW 0.35
21 MFIVWFEMMW 0.35
22 MFIVWDEyKW 0.36
23 MFFVWVEyMW 0.36
24 MFyVWVEyMW 0.37
25 QFIVWDEFMW 0.37
26 MFIVWVEyKW 0.39
27 QFIVWDEMRW 0.4
28 QFIVWVEFMW 0.4
29 QFFVWDEyMW 0.41
30 MFIVWFEyRW 0.41
31 QFyVWDEyMW 0.42
32 QFIVWFEMMW 0.43
33 QFIVWVEMRW 0.44
34 QFIVWDEyKW 0.44
35 QFFVWVEyMW 0.45
36 MFFVWDEMMW 0.45
37 MFyVWDEMMW 0.46
38 QFyVWVEyMW 0.46
39 MFIVWDEFRW 0.47
40 QFIVWVEyKW 0.48
41 MFIVWDEMKW 0.48
42 MFIVWDEyMM 0.49
43 MFFVWVEMMW 0.49
44 MFIVWFEFMW 0.5
45 QFIVWFEyRW 0.5
46 MFyVWVEMMW 0.5
47 MFIVWVEFRW 0.51
48 MFIVWVEMKW 0.52
49 MFyVWDEyRW 0.52
50 MFFVWDEyRW 0.52
51 MFIVWVEyMM 0.53
52 QFFVWDEMMW 0.54
53 MFIVWFEMRW 0.54
54 QFyVWDEMMW 0.54
55 MFFVWVEyRW 0.55
56 MFFVWFEyMW 0.55
57 MFyVWVEyRW 0.56
58 QFIVWDEFRW 0.56
59 MFyVWFEyMW 0.56
60 QFFVWVEMMW 0.57
61 QFIVWDEMKW 0.57
62 QFyVWVEMMW 0.58
63 MFIVWFEyKW 0.58
64 QFIVWDEyMM 0.58
65 QFIVWVEFRW 0.59
66 QFIVWFEFMW 0.59
67 QFIVWVEMKW 0.6
68 QFFVWDEyRW 0.6
69 MFFVWDEFMW 0.61
70 QFIVWVEyMM 0.61
71 QFyVWDEyRW 0.61
72 MFyVWDEFMW 0.61
73 MFIVWDEMMM 0.62
74 QFIVWFEMRW 0.62
75 QFFVWVEyRW 0.64
76 QFFVWFEyMW 0.64
77 MFIVWDEFKW 0.64
78 MFFVWDEMRW 0.64
79 QFyVWFEyMW 0.64
80 MFyVWDEMRW 0.65
81 MFyVWVEFMW 0.65
82 QFyVWVEyRW 0.65
83 MFIVWVEMMM 0.65
84 MFFVWVEFMW 0.65
85 QFIVWFEyKW 0.67
86 MFFVWFEMMW 0.68
87 MFFVWVEMRW 0.68
88 MFyVWFEMMW 0.68
89 MFIVWDEyRM 0.68
90 MFIVWVEFKW 0.68
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MFIVWFEMMW

1.49

-24.01

-22.52
2 MFIVWVEFMW

2.16

-24.31

-22.15
3 MFIVWVEMMW

1.77

-23.9

-22.13
4 MFIVWDEyMW

1.91

-23.89

-21.98
5 QFIVWVEyRW

1.8

-23.44

-21.64
6 QFIVWVEyMW

1.99

-23.48

-21.49
7 QFIVWVEFMW

1.95

-23.42

-21.47
8 QFIVWFEyMW

1.8

-23.13

-21.33
9 MFIVWVEyKW

2.32

-23.59

-21.27
10 MFIVWVEyRW

2.17

-23.32

-21.15
11 MFIVWVEyMW

2.24

-23.2

-20.96
12 MFFVWVEyMW

1.47

-22.36

-20.89
13 MFIVWFEyMW

5.29

-26.06

-20.77
14 MFyVWVEyMW

1.87

-22.56

-20.69
15 MFIVWDEMMW

2.24

-22.62

-20.38
16 MFIVWDEyKW

1.54

-21.77

-20.23
17 MFIVWVEMRW

1.47

-21.49

-20.02
18 MFIVWDEyRW

1.86

-21.84

-19.98
19 MFIVWDEFMW

1.71

-21.55

-19.84
20 QFIVWVEMMW

1.35

-20.93

-19.58
21 MFIVWDEMRW

1.56

-21.11

-19.55
22 MFIVWFEyRW

3.52

-23.05

-19.53
23 QFIVWDEMRW

1.58

-21.08

-19.5
24 QFIVWDEyRW

2.32

-21.34

-19.02
25 QFIVWDEyMW

1.81

-20.53

-18.72
26 QFIVWDEMMW

1.72

-19.82

-18.1
27 MFFVWDEyMW

1.77

-19.83

-18.06
28 QFFVWDEyMW

1.99

-19.89

-17.9
29 QFIVWDEFMW

1.66

-17.47

-15.81
30 MFyVWDEyMW

1.76

-17.27

-15.51

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER