Predicted ligand sequences


ADAN-name: 2FO02.PDB (view again the scoring matrix)

PDB name: [2FO0.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R N K P T V Y G V S P N Y D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
poly-Ala A
A
A
 A
A
A
A
A
G
 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 2.369 ΔGbinding -11.140
TOTAL
 -8.771
Backbone Hb -1.850 Cis_bond 0.000
Sidechain Hb -3.200 Torsional clash 0.020
Van der Waals -8.990 Backbone clash 0.810
Electrostatics -0.090 Helix dipole 0.000
Solvation Polar 7.260 Water bridges -0.840
Solvation Hyd -12.090 Disulfide 0.000
VdW clashes 0.480 Electrost. Kon -0.170
Entropy sc 3.230 Part.cov.bonds 0.000
Entropy mc

5.100

 ΔGstability

5.390
       

Predicted ligand sequences for template [2FO02.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).
 
  2FO02.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPHRWRIPGKYADNE 0.0
2 RPGRWRIPGKYADNE 0.01
3 RPHRWRIPGKYADND 0.02
4 RPGRWRIPGKYADND 0.03
5 RPHRWWIPGKYADNE 0.03
6 RPHRWRIKGKYADNE 0.04
7 RPHRWRIPGKYPDNE 0.04
8 RPGRWRIKGKYADNE 0.04
9 RPHRWRIPGRYADNE 0.04
10 RPHRWFIPGKYADNE 0.04
11 RPHMWRIPGKYADNE 0.04
12 RPGRWFIPGKYADNE 0.04
13 RPGRWWIPGKYADNE 0.04
14 REHRWRIPGKYADNE 0.04
15 RPSRWRIPGKYADNE 0.05
16 RPGRWRIPGRYADNE 0.05
17 RPGRWRIPGKYPDNE 0.05
18 RDHRWRIPGKYADNE 0.05
19 RPGMWRIPGKYADNE 0.05
20 REGRWRIPGKYADNE 0.05
21 RPHRWWIPGKYADND 0.05
22 RPHRWRIPGKYADNI 0.06
23 RPHRWRIKGKYADND 0.06
24 RPHRWRIPGKYPDND 0.06
25 RPGRWRIKGKYADND 0.06
26 RPHRWRIPGRYADND 0.06
27 RDGRWRIPGKYADNE 0.06
28 RPHRWFIPGKYADND 0.06
29 RPHMWRIPGKYADND 0.06
30 RPGRWWIPGKYADND 0.06
31 REHRWRIPGKYADND 0.06
32 RPGRWWIKGKYADNE 0.07
33 RPGRWRIPGKYADNI 0.07
34 RPHMWWIPGKYADNE 0.07
35 RPHRWWIKGKYADNE 0.07
36 RPSRWRIPGKYADND 0.07
37 RPGRWRIPGRYADND 0.07
38 RPHRWFIKGKYADNE 0.07
39 REHRWWIPGKYADNE 0.07
40 RPGRWRIPGKYPDND 0.07
41 RPHRWWIPGKYPDNE 0.07
42 RPHRPRIPGKYADNE 0.07
43 RDHRWRIPGKYADND 0.07
44 RPHRWFIPGKYPDNE 0.07
45 RPGMWRIPGKYADND 0.07
46 RPGRWFIPGKYADND 0.07
47 RPHRWWIPGRYADNE 0.07
48 REGRWRIPGKYADND 0.07
49 RPHRWRIKGKYPDNE 0.07
50 RPHRWRIPGKYAMNE 0.07
51 RPHRWRIKGRYADNE 0.08
52 RPGRWWIPGKYPDNE 0.08
53 REGRWRIKGKYADNE 0.08
54 REGRWWIPGKYADNE 0.08
55 RPHMWRIPGRYADNE 0.08
56 RPSRWWIPGKYADNE 0.08
57 REHRWFIPGKYADNE 0.08
58 RPHRWFIPGRYADNE 0.08
59 REHMWRIPGKYADNE 0.08
60 REHRWRIKGKYADNE 0.08
61 RPGRWRIKGKYPDNE 0.08
62 REHRWRIPGKYPDNE 0.08
63 RPGRWRIPGKYAMNE 0.08
64 RPGRPRIPGKYADNE 0.08
65 RPHRWRIPGRYPDNE 0.08
66 RPGRWRIKGRYADNE 0.08
67 RPGRWFIKGKYADNE 0.08
68 RPHMWRIKGKYADNE 0.08
69 RPGRWFIPGKYPDNE 0.08
70 RDGRWRIPGKYADND 0.08
71 RPGMWWIPGKYADNE 0.08
72 RPHMWRIPGKYPDNE 0.08
73 RDHRWWIPGKYADNE 0.08
74 REGRWFIPGKYADNE 0.08
75 REHRWRIPGRYADNE 0.08
76 RPHMWFIPGKYADNE 0.08
77 RPGRWWIPGRYADNE 0.08
78 REGMWRIPGKYADNE 0.09
79 RPGRWWIKGKYADND 0.09
80 RDGRWWIPGKYADNE 0.09
81 RDGRWRIKGKYADNE 0.09
82 RDHRWRIKGKYADNE 0.09
83 RDHRWRIPGKYPDNE 0.09
84 RPSMWRIPGKYADNE 0.09
85 RPHRWWIKGKYADND 0.09
86 RDHRWFIPGKYADNE 0.09
87 RPGRWRIPGRYPDNE 0.09
88 RPHRWWIPGKYADNI 0.09
89 RDHMWRIPGKYADNE 0.09
90 REHRWWIPGKYADND 0.09
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPGRWRIPGKYPDNE

2.56

-15.55

-12.99
2 RPGRWRIPGKYADNE

3.03

-15.68

-12.65
3 RPHRWRIPGKYPDNE

3.61

-15.86

-12.25
4 RPHRWRIPGRYADND

2.99

-15.19

-12.2
5 RPGRWRIPGKYADND

3.01

-15.1

-12.09
6 RPGRWRIKGKYADND

3.16

-15.12

-11.96
7 RPHRWRIPGKYPDND

2.69

-14.58

-11.89
8 RPGRWRIPGRYADNE

2.49

-14.27

-11.78
9 RPGRWWIPGKYADNE

2.66

-14.39

-11.73
10 RDHRWRIPGKYADNE

3.12

-14.82

-11.7
11 RPHRWRIKGKYADND

2.61

-14.25

-11.64
12 RPHRWRIPGRYADNE

2.69

-14.22

-11.53
13 RPGMWRIPGKYADNE

2.65

-14.15

-11.5
14 RPHRWRIPGKYADNE

2.52

-13.88

-11.36
15 RDGRWRIPGKYADNE

2.53

-13.88

-11.35
16 RPHRWWIPGKYADNE

2.81

-14.13

-11.32
17 RPGRWWIPGKYADND

2.76

-14.07

-11.31
18 RPHMWRIPGKYADND

2.52

-13.79

-11.27
19 RPHRWFIPGKYADND

2.5

-13.72

-11.22
20 RPGRWFIPGKYADNE

2.66

-13.87

-11.21
21 RPSRWRIPGKYADNE

2.56

-13.71

-11.15
22 REHRWRIPGKYADNE

2.84

-13.97

-11.13
23 RPGRWRIKGKYADNE

2.86

-13.94

-11.08
24 RPHRWRIKGKYADNE

2.7

-13.73

-11.03
25 RPHRWRIPGKYADND

2.82

-13.76

-10.94
26 RPHRWFIPGKYADNE

2.66

-13.6

-10.94
27 RPHRWRIPGKYADNI

2.46

-13.23

-10.77
28 REGRWRIPGKYADNE

2.53

-13.19

-10.66
29 RPHMWRIPGKYADNE

2.47

-12.49

-10.02
30 RPHRWWIPGKYADND

3.0

-12.88

-9.88

 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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