Predicted ligand sequences


ADAN-name: 2BFY2.PDB (view again the scoring matrix)

PDB name: [2BFY.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT N L L T Q A I R Q Q Y Y K P I D V D R M
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
A
A
A
 A A
A
A
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    

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Intraclash 5.253 ΔGbinding -21.823
TOTAL
 -16.570
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -6.600 Torsional clash 0.623
Van der Waals -12.475 Backbone clash 0.153
Electrostatics -0.441 Helix dipole 0.041
Solvation Polar 9.479 Water bridges -0.459
Solvation Hyd -19.720 Disulfide 0.000
VdW clashes 2.869 Electrost. Kon -0.407
Entropy sc 5.383 Part.cov.bonds 0.000
Entropy mc

1.159

 ΔGstability

-25.248
       

Predicted ligand sequences for template [2BFY2.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).
 
  2BFY2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HpMyDSWssWYyRERyEEWH 0.0
2 HpMyDSWsEWYyRERyEEWH 0.01
3 HDMyDSWssWYyRERyEEWH 0.01
4 HpMypSWssWYyRERyEEWH 0.02
5 HEMyDSWssWYyRERyEEWH 0.02
6 HEMyDSWsEWYyRERyEEWH 0.02
7 HDMyDSWsEWYyRERyEEWH 0.02
8 HpMyDSWsDWYyRERyEEWH 0.03
9 HpMyDSWssWYyRERyMEWH 0.03
10 HpMyDSWsEWYyRERyMEWH 0.03
11 HpMyESWssWYyRERyEEWH 0.03
12 HDMypSWssWYyRERyEEWH 0.03
13 HpMypSWsEWYyRERyEEWH 0.03
14 HDMyDSWsEWYyRERyMEWH 0.04
15 HDMypSWsEWYyRERyEEWH 0.04
16 HpMyESWsEWYyRERyEEWH 0.04
17 HDMyDSWsDWYyRERyEEWH 0.04
18 HDMyESWssWYyRERyEEWH 0.04
19 HDMyDSWssWYyRERyMEWH 0.04
20 HEMypSWssWYyRERyEEWH 0.04
21 HEMypSWsEWYyRERyEEWH 0.05
22 HpMypSWsDWYyRERyEEWH 0.05
23 HEMyDSWsDWYyRERyEEWH 0.05
24 HEMyDSWsEWYyRERyMEWH 0.05
25 HDMyESWsEWYyRERyEEWH 0.05
26 HEMyDSWssWYyRERyMEWH 0.05
27 HEMyESWssWYyRERyEEWH 0.05
28 HpMypSWssWYyRERyMEWH 0.05
29 HDMypSWssWYyRERyMEWH 0.06
30 HpMyDSWsDWYyRERyMEWH 0.06
31 HEMyESWsEWYyRERyEEWH 0.06
32 HpMypSWsEWYyRERyMEWH 0.06
33 HpMyESWssWYyRERyMEWH 0.06
34 HpMyDSWsEWYyKERyEEWH 0.07
35 HpMyESWsDWYyRERyEEWH 0.07
36 HDMyESWssWYyRERyMEWH 0.07
37 HDMypSWsDWYyRERyEEWH 0.07
38 HpMyDSWssWYyKERyEEWH 0.07
39 HpMyESWsEWYyRERyMEWH 0.07
40 HEMypSWsDWYyRERyEEWH 0.07
41 HDMypSWsEWYyRERyMEWH 0.07
42 HDMyDSWsDWYyRERyMEWH 0.07
43 HEMypSWssWYyRERyMEWH 0.07
44 HEMyESWssWYyRERyMEWH 0.08
45 HpMyDSIssWYyRERyEEWH 0.08
46 HpMyDSIsEWYyRERyEEWH 0.08
47 HDMyESWsDWYyRERyEEWH 0.08
48 HDMyDSWsEWYyKERyEEWH 0.08
49 HDMyESWsEWYyRERyMEWH 0.08
50 HDMyDSWssWYyKERyEEWH 0.08
51 HEMyESWsDWYyRERyEEWH 0.08
52 HEMypSWsEWYyRERyMEWH 0.08
53 HEMyDSWsDWYyRERyMEWH 0.08
54 HpMypSWsDWYyRERyMEWH 0.08
55 HEMyDSWsEWYyKERyEEWH 0.09
56 HpMyESWsDWYyRERyMEWH 0.09
57 HDMyDSIsEWYyRERyEEWH 0.09
58 HpMypSWssWYyKERyEEWH 0.09
59 HDMypSWsDWYyRERyMEWH 0.09
60 HEMyDSWssWYyKERyEEWH 0.09
61 HEMyESWsEWYyRERyMEWH 0.09
62 HDMyDSIssWYyRERyEEWH 0.09
63 HpMyDSWsEWYyGERyEEWH 0.1
64 HEMyDSIsEWYyRERyEEWH 0.1
65 HEMyDSIssWYyRERyEEWH 0.1
66 HDMypSWssWYyKERyEEWH 0.1
67 HpMypSWsEWYyKERyEEWH 0.1
68 HEMypSWsDWYyRERyMEWH 0.1
69 HpMyESWssWYyKERyEEWH 0.1
70 HpMyDSWsEWYyKERyMEWH 0.1
71 HpMyDSWssWYyKERyMEWH 0.1
72 HpMypSIssWYyRERyEEWH 0.1
73 HpMyDSWsDWYyKERyEEWH 0.1
74 HpMyDSWssWYyGERyEEWH 0.1
75 HpMyDSIssWYyRERyMEWH 0.11
76 HDMyDSWsEWYyKERyMEWH 0.11
77 HpMyDSIsDWYyRERyEEWH 0.11
78 HEMypSWssWYyKERyEEWH 0.11
79 HDMypSWsEWYyKERyEEWH 0.11
80 HEMypSWsEWYyKERyEEWH 0.11
81 HpMyESWsEWYyKERyEEWH 0.11
82 HpMyESIssWYyRERyEEWH 0.11
83 HpMypSIsEWYyRERyEEWH 0.11
84 HDMyESWsDWYyRERyMEWH 0.11
85 HDMyDSWssWYyKERyMEWH 0.11
86 HDMyDSWssWYyGERyEEWH 0.11
87 HDMyDSWsEWYyGERyEEWH 0.11
88 HDMyESWssWYyKERyEEWH 0.11
89 HDMyDSWsDWYyKERyEEWH 0.11
90 HEMyESWsDWYyRERyMEWH 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HEMyESWssWYyRERyEEWH

4.21

-33.57

-29.36
2 HpMyDSWssWYyRERyEEWH

4.25

-32.94

-28.69
3 HDMyDSWsEWYyRERyEEWH

4.97

-33.63

-28.66
4 HpMypSWsEWYyRERyEEWH

3.96

-32.57

-28.61
5 HpMypSWssWYyRERyMEWH

4.23

-32.56

-28.33
6 HEMypSWssWYyRERyEEWH

3.81

-32.13

-28.32
7 HEMyDSWsDWYyRERyEEWH

4.26

-32.49

-28.23
8 HpMyDSWsEWYyRERyMEWH

4.35

-32.44

-28.09
9 HDMypSWssWYyRERyMEWH

5.35

-33.39

-28.04
10 HpMyESWssWYyRERyEEWH

4.79

-32.43

-27.64
11 HEMyDSWsEWYyRERyMEWH

4.83

-32.26

-27.43
12 HDMyDSWsDWYyRERyEEWH

4.44

-31.8

-27.36
13 HpMyDSWssWYyRERyMEWH

4.17

-31.37

-27.2
14 HDMypSWssWYyRERyEEWH

5.15

-32.35

-27.2
15 HpMyESWsEWYyRERyEEWH

4.76

-31.83

-27.07
16 HDMyDSWsEWYyRERyMEWH

5.52

-32.52

-27.0
17 HDMyESWssWYyRERyEEWH

5.2

-32.15

-26.95
18 HpMyDSWsEWYyRERyEEWH

4.24

-30.31

-26.07
19 HEMypSWsEWYyRERyEEWH

4.32

-30.36

-26.04
20 HpMypSWssWYyRERyEEWH

7.05

-33.03

-25.98
21 HpMypSWsDWYyRERyEEWH

4.28

-30.12

-25.84
22 HEMyDSWssWYyRERyMEWH

4.11

-29.86

-25.75
23 HDMyDSWssWYyRERyEEWH

6.58

-31.61

-25.03
24 HDMypSWsEWYyRERyEEWH

5.82

-30.78

-24.96
25 HpMyDSWsDWYyRERyEEWH

4.36

-28.53

-24.17
26 HDMyDSWssWYyRERyMEWH

7.14

-30.49

-23.35
27 HDMyESWsEWYyRERyEEWH

5.37

-28.5

-23.13
28 HEMyDSWssWYyRERyEEWH

7.01

-29.72

-22.71
29 HpMyDSWsDWYyRERyMEWH

7.48

-5.01

2.47
30 HEMyDSWsEWYyRERyEEWH

8.02

-2.62

5.4

 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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