Predicted ligand sequences


ADAN-name: 1G1F2.PDB (view again the scoring matrix)

PDB name: [1G1F.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E T D y y R
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    

(Help)

Intraclash 5.474 ΔGbinding -15.421
TOTAL
 -9.947
Backbone Hb -7.450 Cis_bond 0.000
Sidechain Hb -6.850 Torsional clash 0.356
Van der Waals -10.392 Backbone clash 1.040
Electrostatics -5.202 Helix dipole -0.011
Solvation Polar 19.469 Water bridges -0.532
Solvation Hyd -11.145 Disulfide 0.000
VdW clashes 0.547 Electrost. Kon -2.001
Entropy sc 3.135 Part.cov.bonds 0.000
Entropy mc

4.656

 ΔGstability

-23.504
       

Predicted ligand sequences for template [1G1F2.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).
 
  1G1F2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRIyNW 0.0
2 MRIyNW 0.12
3 RRTyNW 0.33
4 RRVyNW 0.36
5 MRTyNW 0.44
6 RRIyLW 0.48
7 MRVyNW 0.48
8 RRIyMW 0.5
9 RRIyIW 0.52
10 MRIyLW 0.59
11 MRIyMW 0.62
12 MRIyIW 0.64
13 RRMyNW 0.66
14 RKIyNW 0.69
15 RRIyNF 0.78
16 MRMyNW 0.78
17 RRTyLW 0.8
18 MKIyNW 0.81
19 RRTyMW 0.82
20 RRVyLW 0.84
21 RRTyIW 0.85
22 RRVyMW 0.86
23 RRVyIW 0.88
24 MRIyNF 0.9
25 MRTyLW 0.92
26 MRTyMW 0.94
27 MRVyLW 0.95
28 MRTyIW 0.97
29 MRVyMW 0.98
30 MRVyIW 1.0
31 RKTyNW 1.02
32 RKVyNW 1.05
33 RRTyNF 1.11
34 RRVyNF 1.14
35 RRMyLW 1.14
36 MKTyNW 1.14
37 RRMyMW 1.16
38 MKVyNW 1.17
39 RKIyLW 1.17
40 RKIyMW 1.19
41 RRMyIW 1.19
42 RKIyIW 1.21
43 MRTyNF 1.23
44 RRIyLF 1.26
45 MRMyLW 1.26
46 MRVyNF 1.26
47 RRIyMF 1.28
48 MRMyMW 1.28
49 MKIyLW 1.29
50 MKIyMW 1.31
51 MRMyIW 1.31
52 RRIyIF 1.31
53 MKIyIW 1.33
54 RKMyNW 1.36
55 MRIyLF 1.38
56 MRIyMF 1.4
57 MRIyIF 1.42
58 RRMyNF 1.45
59 MKMyNW 1.48
60 RKIyNF 1.48
61 RKTyLW 1.49
62 RKTyMW 1.52
63 RKVyLW 1.53
64 RKTyIW 1.54
65 RKVyMW 1.55
66 MRMyNF 1.57
67 RKVyIW 1.58
68 RRTyLF 1.58
69 MKIyNF 1.6
70 MKTyLW 1.61
71 RRTyMF 1.61
72 RRVyLF 1.62
73 RRTyIF 1.63
74 MKTyMW 1.63
75 RRVyMF 1.64
76 MKVyLW 1.65
77 MKTyIW 1.66
78 RRVyIF 1.67
79 MKVyMW 1.67
80 MKVyIW 1.69
81 MRTyLF 1.7
82 MRTyMF 1.72
83 MRVyLF 1.74
84 MRTyIF 1.75
85 MRVyMF 1.76
86 MRVyIF 1.78
87 RKTyNF 1.8
88 RKMyLW 1.83
89 RKVyNF 1.84
90 RKMyMW 1.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRMyNW

4.87

-20.69

-15.82
2 MRTyMW

4.97

-20.13

-15.16
3 MRVyMW

5.41

-20.31

-14.9
4 MRTyLW

4.96

-19.69

-14.73
5 MRVyIW

5.21

-19.9

-14.69
6 MRTyIW

5.2

-19.85

-14.65
7 RRTyLW

4.6

-19.22

-14.62
8 RRTyMW

4.88

-19.25

-14.37
9 RRVyMW

4.79

-19.08

-14.29
10 RRIyNF

4.8

-19.0

-14.2
11 MRIyIW

5.0

-19.14

-14.14
12 MRTyNW

4.84

-18.97

-14.13
13 RRIyMW

5.26

-19.34

-14.08
14 RRVyLW

4.86

-18.93

-14.07
15 MRMyNW

4.84

-18.9

-14.06
16 MRVyLW

4.92

-18.9

-13.98
17 MRIyNW

4.86

-18.71

-13.85
18 RRIyIW

5.04

-18.84

-13.8
19 MRIyMW

4.87

-18.25

-13.38
20 MRIyNF

5.1

-18.32

-13.22
21 RRVyNW

4.66

-17.83

-13.17
22 MRIyLW

4.93

-17.81

-12.88
23 RRIyNW

4.9

-17.58

-12.68
24 RKIyNW

4.94

-17.44

-12.5
25 RRVyIW

5.08

-17.55

-12.47
26 RRIyLW

4.88

-17.15

-12.27
27 MRVyNW

4.77

-17.04

-12.27
28 RRTyNW

4.79

-16.1

-11.31
29 MKIyNW

5.09

-16.11

-11.02
30 RRTyIW

5.24

-15.35

-10.11

 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