Predicted ligand sequences


ADAN-name: 2HE22.PDB (view again the scoring matrix)

PDB name: [2HE2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I H 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 1.041 ΔGbinding -11.440
TOTAL
 -10.399
Backbone Hb -8.060 Cis_bond 0.000
Sidechain Hb -5.250 Torsional clash 0.000
Van der Waals -8.600 Backbone clash 1.040
Electrostatics -0.800 Helix dipole 0.030
Solvation Polar 15.540 Water bridges -0.700
Solvation Hyd -10.470 Disulfide 0.000
VdW clashes 0.330 Electrost. Kon -0.770
Entropy sc 4.610 Part.cov.bonds 0.000
Entropy mc

2.690

 ΔGstability

-8.060
       

Predicted ligand sequences for template [2HE22.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).
 
  2HE22.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFMTHV 0.0
2 MFETHV 0.01
3 MFDTHV 0.07
4 QFMTHV 0.09
5 QFETHV 0.1
6 EFMTHV 0.11
7 EFETHV 0.12
8 MFQTHV 0.14
9 QFDTHV 0.16
10 EFDTHV 0.18
11 MFMYHV 0.2
12 MFEYHV 0.21
13 MWMTHV 0.21
14 MWETHV 0.22
15 QFQTHV 0.23
16 MFMMHV 0.24
17 MFEMHV 0.25
18 EFQTHV 0.25
19 MFDYHV 0.27
20 MWDTHV 0.28
21 MMMTHV 0.29
22 MMETHV 0.29
23 QFMYHV 0.3
24 QFEYHV 0.3
25 QWMTHV 0.3
26 MFDMHV 0.31
27 QWETHV 0.31
28 MFMDHV 0.32
29 EWMTHV 0.32
30 MFEDHV 0.32
31 EFMYHV 0.32
32 EFEYHV 0.32
33 EWETHV 0.33
34 MFQYHV 0.34
35 QFEMHV 0.34
36 QFMMHV 0.34
37 MWQTHV 0.35
38 MMDTHV 0.36
39 EFEMHV 0.36
40 QFDYHV 0.36
41 EFMMHV 0.36
42 QWDTHV 0.37
43 MFDDHV 0.38
44 QMMTHV 0.38
45 MFQMHV 0.38
46 EFDYHV 0.39
47 QMETHV 0.39
48 EWDTHV 0.39
49 QFDMHV 0.4
50 EMMTHV 0.4
51 EMETHV 0.41
52 MWMYHV 0.41
53 QFMDHV 0.41
54 MWEYHV 0.42
55 MKMTHV 0.42
56 QFEDHV 0.42
57 EFDMHV 0.42
58 EFMDHV 0.43
59 MKETHV 0.43
60 MMQTHV 0.43
61 QFQYHV 0.44
62 EFEDHV 0.44
63 QWQTHV 0.44
64 QMDTHV 0.45
65 MWMMHV 0.45
66 MWEMHV 0.46
67 EFQYHV 0.46
68 EWQTHV 0.46
69 MFQDHV 0.46
70 EMDTHV 0.47
71 MWDYHV 0.48
72 QFDDHV 0.48
73 QFQMHV 0.48
74 MMMYHV 0.49
75 MKDTHV 0.49
76 EFQMHV 0.5
77 MMEYHV 0.5
78 EFDDHV 0.5
79 QWEYHV 0.51
80 QWMYHV 0.51
81 QKETHV 0.52
82 MWDMHV 0.52
83 QMQTHV 0.52
84 QKMTHV 0.52
85 EWMYHV 0.53
86 MWEDHV 0.53
87 EWEYHV 0.53
88 MWMDHV 0.53
89 MMMMHV 0.53
90 EKMTHV 0.54
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EFDTHV

1.21

-17.21

-16.0
2 MFDTHV

1.33

-16.72

-15.39
3 EFQTHV

1.31

-16.51

-15.2
4 EFMTHV

1.13

-16.33

-15.2
5 MFDYHV

1.31

-16.27

-14.96
6 QFMTHV

1.27

-16.19

-14.92
7 EFETHV

1.2

-15.95

-14.75
8 QFETHV

1.24

-15.94

-14.7
9 QFQTHV

1.23

-15.8

-14.57
10 MFQTHV

1.2

-15.75

-14.55
11 EWMTHV

1.33

-15.85

-14.52
12 MFETHV

1.38

-15.83

-14.45
13 QWETHV

1.39

-15.84

-14.45
14 MWMTHV

1.41

-15.73

-14.32
15 MFEMHV

1.25

-15.57

-14.32
16 MWETHV

1.49

-15.77

-14.28
17 MMETHV

1.2

-15.3

-14.1
18 MWDTHV

1.38

-15.47

-14.09
19 QWMTHV

1.48

-15.28

-13.8
20 MFEDHV

1.24

-14.98

-13.74
21 MFDMHV

1.13

-14.74

-13.61
22 MFMTHV

1.35

-14.86

-13.51
23 MFMDHV

1.24

-14.7

-13.46
24 MMMTHV

1.38

-14.77

-13.39
25 QFDTHV

1.32

-14.58

-13.26
26 MFEYHV

1.63

-14.78

-13.15
27 QFMYHV

1.27

-14.37

-13.1
28 MFMMHV

1.61

-14.63

-13.02
29 QFEYHV

1.92

-14.59

-12.67
30 MFMYHV

1.23

-13.75

-12.52

 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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