Predicted ligand sequences


ADAN-name: 2C0O3.PDB (view again the scoring matrix)

PDB name: [2C0O.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT M S S K P Q K P W E K D A
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
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 1.767 ΔGbinding -11.420
TOTAL
 -9.653
Backbone Hb -1.240 Cis_bond 0.000
Sidechain Hb -1.290 Torsional clash 0.020
Van der Waals -7.520 Backbone clash 0.370
Electrostatics -0.740 Helix dipole 0.000
Solvation Polar 6.180 Water bridges -0.790
Solvation Hyd -10.790 Disulfide 0.000
VdW clashes 0.250 Electrost. Kon -0.600
Entropy sc 3.180 Part.cov.bonds 0.000
Entropy mc

1.920

 ΔGstability

6.640
       

Predicted ligand sequences for template [2C0O3.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).
 
  2C0O3.PDB  

(data)
# Predicted Sequences Value Calculate
1 CFGHPGMMDWMRD 0.0
2 LFGHPGMMDWMRD 0.0
3 EFGHPGMMDWMRD 0.0
4 CFGHPGMMDWMRE 0.01
5 LFGHPGMMDWMRE 0.01
6 EFGHPGMMDWMRE 0.01
7 CFGHPFMMDWMRD 0.02
8 EFGHPFMMDWMRD 0.02
9 LFGHPPMMDWMRD 0.02
10 LFGHPFMMDWMRD 0.02
11 CFGHPPMMDWMRD 0.02
12 EFGHPPMMDWMRD 0.02
13 CFGHPFMMDWMRE 0.03
14 LFGHPPMMDWMRE 0.03
15 LFGHPFMMDWMRE 0.03
16 CFGHPPMMDWMRE 0.03
17 EFGHPFMMDWMRE 0.03
18 EFGHPPMMDWMRE 0.03
19 CFGHPGMMDWMKD 0.04
20 LFGHPGMMDWMKD 0.04
21 EFGHPGMMDWMKD 0.04
22 CFGHPGMMDWMKE 0.05
23 LFGHPGMMDWMKE 0.05
24 EFGRPGMMDWMRD 0.05
25 EFGHPGMMDWMKE 0.05
26 CFGRPGMMDWMRD 0.05
27 LFGRPGMMDWMRD 0.05
28 CFGRPGMMDWMRE 0.06
29 LFGHPFMMDWMKD 0.06
30 EFGHPFMMDWMKD 0.06
31 EFGHPPMMDWMKD 0.06
32 CFGHPFMMDWMKD 0.06
33 LYGHPGMMDWMRD 0.06
34 EYGHPGMMDWMRD 0.06
35 CFGHPPMMDWMKD 0.06
36 CYGHPGMMDWMRD 0.06
37 LFGHPGMMDWMRR 0.06
38 CFGHPGMMDWMRR 0.06
39 LFGHPPMMDWMKD 0.06
40 LFGRPGMMDWMRE 0.06
41 EFGHPGMMDWMRR 0.06
42 EFGRPGMMDWMRE 0.06
43 LFGHPFMMDWMKE 0.07
44 EFGHPFMMDWMKE 0.07
45 LFGRPFMMDWMRD 0.07
46 EFGHPPMMDWMKE 0.07
47 CFGHPFMMDWMKE 0.07
48 LYGHPGMMDWMRE 0.07
49 CFGRPPMMDWMRD 0.07
50 CFGRPFMMDWMRD 0.07
51 EYGHPGMMDWMRE 0.07
52 EFGRPPMMDWMRD 0.07
53 CFGHPPMMDWMKE 0.07
54 CYGHPGMMDWMRE 0.07
55 LFGRPPMMDWMRD 0.07
56 EFGRPFMMDWMRD 0.07
57 LFGHPPMMDWMKE 0.07
58 CFGHPFMMDWMRR 0.08
59 EYGHPPMMDWMRD 0.08
60 EFGHPFMMDWMRR 0.08
61 LFGHPPMMDWMRR 0.08
62 CFGHPPMMDWMRR 0.08
63 CYGHPFMMDWMRD 0.08
64 CLGHPGMMDWMRD 0.08
65 EFGRPFMMDWMRE 0.08
66 LFGHPFMMDWMRR 0.08
67 LLGHPGMMDWMRD 0.08
68 CYGHPPMMDWMRD 0.08
69 CFGRPPMMDWMRE 0.08
70 CFGRPFMMDWMRE 0.08
71 ELGHPGMMDWMRD 0.08
72 EFGRPPMMDWMRE 0.08
73 LYGHPFMMDWMRD 0.08
74 LFGRPFMMDWMRE 0.08
75 LFGRPPMMDWMRE 0.08
76 LYGHPPMMDWMRD 0.08
77 EYGHPFMMDWMRD 0.08
78 EFGHPPMMDWMRR 0.08
79 EYGHPPMMDWMRE 0.09
80 CYGHPFMMDWMRE 0.09
81 CLGHPGMMDWMRE 0.09
82 LFGRPGMMDWMKD 0.09
83 LLGHPGMMDWMRE 0.09
84 CYGHPPMMDWMRE 0.09
85 EFGRPGMMDWMKD 0.09
86 LYGHPFMMDWMRE 0.09
87 ELGHPGMMDWMRE 0.09
88 EYGHPFMMDWMRE 0.09
89 EFGHPGMFDWMRD 0.09
90 LFGHPGMFDWMRD 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 LFGHPPMMDWMRD

2.17

-16.95

-14.78
2 LFGHPFMMDWMKD

2.29

-16.89

-14.6
3 LFGHPFMMDWMRD

2.4

-17.0

-14.6
4 LFGHPFMMDWMRE

2.49

-16.93

-14.44
5 CFGRPGMMDWMRE

2.7

-17.04

-14.34
6 EFGRPGMMDWMRD

2.65

-16.8

-14.15
7 EFGHPFMMDWMRE

2.56

-16.63

-14.07
8 LFGHPGMMDWMRD

2.18

-16.2

-14.02
9 CFGHPGMMDWMKD

2.49

-16.49

-14.0
10 CFGHPFMMDWMRD

2.59

-16.42

-13.83
11 CFGHPPMMDWMRD

2.28

-16.11

-13.83
12 EFGHPFMMDWMRD

2.3

-16.13

-13.83
13 CFGHPPMMDWMRE

2.75

-16.5

-13.75
14 LFGHPPMMDWMRE

3.09

-16.73

-13.64
15 EFGHPPMMDWMRE

2.47

-15.99

-13.52
16 EFGHPGMMDWMRE

2.47

-15.98

-13.51
17 LFGHPGMMDWMRE

2.71

-16.21

-13.5
18 EFGHPGMMDWMKE

2.74

-16.23

-13.49
19 CFGHPGMMDWMRD

2.78

-16.21

-13.43
20 LFGHPGMMDWMKD

2.63

-15.89

-13.26
21 LFGRPGMMDWMRD

3.0

-16.21

-13.21
22 LFGHPGMMDWMKE

2.75

-15.96

-13.21
23 CFGRPGMMDWMRD

2.87

-15.97

-13.1
24 EFGHPFMMDWMKD

2.97

-16.02

-13.05
25 CFGHPGMMDWMKE

2.36

-15.16

-12.8
26 CFGHPFMMDWMRE

2.41

-15.16

-12.75
27 EFGHPPMMDWMRD

2.65

-15.34

-12.69
28 EFGHPGMMDWMRD

2.59

-15.07

-12.48
29 EFGHPGMMDWMKD

2.44

-14.7

-12.26
30 CFGHPGMMDWMRE

2.58

-14.47

-11.89

 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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