Predicted ligand sequences


ADAN-name: 1FYN2.PDB (view again the scoring matrix)

PDB name: [1FYN.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P A Y P P P P V P
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 6.591 ΔGbinding -10.760
TOTAL
 -4.169
Backbone Hb -1.430 Cis_bond 0.000
Sidechain Hb -1.530 Torsional clash 0.280
Van der Waals -9.610 Backbone clash 0.950
Electrostatics 0.090 Helix dipole 0.000
Solvation Polar 7.070 Water bridges -0.670
Solvation Hyd -13.290 Disulfide 0.000
VdW clashes 3.240 Electrost. Kon -0.020
Entropy sc 3.890 Part.cov.bonds 0.000
Entropy mc

1.210

 ΔGstability

11.620
       

Predicted ligand sequences for template [1FYN2.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).
 
  1FYN2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPKGFPPDNM 0.0
2 RPKGFPPDNW 0.05
3 RPKGFPPGNM 0.06
4 RPKGFPPINM 0.07
5 RPKGTPPDNM 0.09
6 RPKGHPPDNM 0.09
7 RPKGFPDDNM 0.09
8 RPKGFPPGNW 0.1
9 RPKGFPPINW 0.12
10 RPKGHPPDNW 0.13
11 RPKGTPPDNW 0.14
12 RPKGHPPGNM 0.14
13 RPKGFPDDNW 0.14
14 RPKGTPPGNM 0.15
15 RPKGFPDGNM 0.15
16 RPKGFPPDPM 0.15
17 RPKGTPPINM 0.16
18 RPKGHPPINM 0.16
19 RPKGFPPDNF 0.16
20 RPKGFPDINM 0.16
21 RPKGFIPDNM 0.17
22 RPRGFPPDNM 0.17
23 RPKGTPDDNM 0.18
24 RPKGHPDDNM 0.18
25 RPKGTPPGNW 0.19
26 RPKGFPDGNW 0.19
27 RPKGFPPDQM 0.19
28 RPKGHPPGNW 0.19
29 RPHGFPPDNM 0.2
30 RPKGFPPDPW 0.2
31 RPKGFPPGPM 0.2
32 RPKGTPPINW 0.21
33 RPKGFIPDNW 0.21
34 RPKGHPPINW 0.21
35 RPKGFPDINW 0.21
36 RPKGFPPGNF 0.22
37 RPKGFIPGNM 0.22
38 RPKGFPPIPM 0.22
39 RPKGHPDDNW 0.22
40 RPRGFPPDNW 0.22
41 RPKGFPPINF 0.23
42 RPKGTPDDNW 0.23
43 RPRGFPPGNM 0.23
44 RPKGFPPDQW 0.23
45 RPKGHPDGNM 0.23
46 RPKGFIPINM 0.24
47 RPKGHPPDPM 0.24
48 RPHGFPPDNW 0.24
49 RPKGFPDDPM 0.24
50 RPKGTPDGNM 0.24
51 RPRGFPPINM 0.24
52 RPKGFPPGQM 0.24
53 RPKGTPPDPM 0.24
54 RPKGHPDINM 0.25
55 RPKGTPPDNF 0.25
56 RPKGHPPDNF 0.25
57 RPKGHIPDNM 0.25
58 RPHGFPPGNM 0.25
59 RPKGFPPGPW 0.25
60 RPKGTPDINM 0.25
61 RPKGFPDDNF 0.25
62 RPRGFPDDNM 0.26
63 RPKGFIDDNM 0.26
64 RPRGHPPDNM 0.26
65 RPKGFPPIQM 0.26
66 RPRGTPPDNM 0.26
67 RPKGTIPDNM 0.26
68 RPHGFPPINM 0.27
69 RPRGFPPGNW 0.27
70 RPKGFIPGNW 0.27
71 RPKGFPPIPW 0.27
72 RPKGFIPINW 0.28
73 RPKGHPPDPW 0.28
74 RPKGHPPDQM 0.28
75 RPKGTPDGNW 0.28
76 RPKGFPDDQM 0.28
77 RPKGHPDGNW 0.28
78 RPKGTPPDQM 0.28
79 RPHGFPDDNM 0.29
80 RPKGHPPGPM 0.29
81 RPKGFPDGPM 0.29
82 RPHGHPPDNM 0.29
83 RPKGFPDDPW 0.29
84 RPHGTPPDNM 0.29
85 RPRGFPPINW 0.29
86 RPKGFPPGQW 0.29
87 RPKGTPPDPW 0.29
88 RPKGTPPGPM 0.29
89 RPKGHPDINW 0.3
90 RPKGFIDDNW 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPKGHPPINM

3.5

-14.75

-11.25
2 RPRGFPPDNM

3.94

-14.98

-11.04
3 RPKGTPPDNM

3.66

-14.1

-10.44
4 RPKGFPPDNM

3.69

-14.12

-10.43
5 RPKGFIPDNM

4.98

-15.32

-10.34
6 RPKGFPPDQM

3.81

-13.88

-10.07
7 RPKGTPPDNW

3.36

-13.33

-9.97
8 RPKGFPDINM

3.78

-13.63

-9.85
9 RPKGFPPDNW

3.74

-13.56

-9.82
10 RPKGHPPDNM

3.52

-13.29

-9.77
11 RPKGTPPGNM

3.4

-13.09

-9.69
12 RPKGFPPINM

3.63

-13.23

-9.6
13 RPKGHPDDNM

3.9

-13.5

-9.6
14 RPKGFPPDNF

3.36

-12.94

-9.58
15 RPHGFPPDNM

3.45

-13.03

-9.58
16 RPKGFPPGNM

3.28

-12.85

-9.57
17 RPKGFPDDNM

3.69

-13.23

-9.54
18 RPKGFPDDNW

3.6

-13.13

-9.53
19 RPKGHPPDNW

3.51

-12.98

-9.47
20 RPKGTPPINM

3.26

-12.67

-9.41
21 RPKGTPPGNW

3.36

-12.75

-9.39
22 RPKGHPPGNW

3.72

-13.03

-9.31
23 RPKGFPPINW

3.17

-12.32

-9.15
24 RPKGHPPGNM

3.6

-12.71

-9.11
25 RPKGFPPGNW

3.55

-12.58

-9.03
26 RPKGFPDGNW

3.91

-12.58

-8.67
27 RPKGFPPDPW

3.47

-12.13

-8.66
28 RPKGFPPDPM

3.45

-12.11

-8.66
29 RPKGFPDGNM

3.48

-11.88

-8.4
30 RPKGTPDDNM

4.64

-12.56

-7.92

 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