Predicted ligand sequences


ADAN-name: 2IJP2.PDB (view again the scoring matrix)

PDB name: [2IJP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S G L L T S A F F
position 1 2 3 4 5 6 7 8 9
poly-Ala
A
G
 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 3.639 ΔGbinding -15.820
TOTAL
 -12.181
Backbone Hb -3.150 Cis_bond 0.000
Sidechain Hb -4.810 Torsional clash 0.180
Van der Waals -11.650 Backbone clash 1.020
Electrostatics -2.260 Helix dipole -0.160
Solvation Polar 14.890 Water bridges -0.970
Solvation Hyd -15.720 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -1.080
Entropy sc 4.860 Part.cov.bonds 0.000
Entropy mc

3.730

 ΔGstability

-30.120
       

Predicted ligand sequences for template [2IJP2.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).
 
  2IJP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KGMMMsAFF 0.0
2 KGMLMsAFF 0.15
3 KGMMIsAFF 0.43
4 KGMMssAFF 0.53
5 KGMLIsAFF 0.58
6 KGKMMsAFF 0.6
7 KGMMMsGFF 0.65
8 KGMMysAFF 0.65
9 RGMMMsAFF 0.65
10 KGPMMsAFF 0.65
11 KGMLssAFF 0.68
12 KGKLMsAFF 0.75
13 RGMLMsAFF 0.8
14 KGMLysAFF 0.8
15 KGPLMsAFF 0.8
16 KGMLMsGFF 0.8
17 KGKMIsAFF 1.03
18 KGPMIsAFF 1.08
19 KGMMIsGFF 1.08
20 RGMMIsAFF 1.08
21 KGKMssAFF 1.13
22 RGMMssAFF 1.18
23 KGPMssAFF 1.18
24 KGMMssGFF 1.18
25 KGKLIsAFF 1.18
26 KGPLIsAFF 1.23
27 RGMLIsAFF 1.23
28 KGMLIsGFF 1.23
29 KGKMMsGFF 1.25
30 RGKMMsAFF 1.25
31 KGKMysAFF 1.25
32 KGKLssAFF 1.28
33 RGPMMsAFF 1.29
34 KGMMysGFF 1.29
35 RGMMysAFF 1.29
36 RGMMMsGFF 1.29
37 KGPMMsGFF 1.29
38 KGPMysAFF 1.29
39 KGPLssAFF 1.33
40 RGMLssAFF 1.33
41 KGMLssGFF 1.33
42 KGKLysAFF 1.4
43 RGKLMsAFF 1.4
44 KGKLMsGFF 1.4
45 KGPLysAFF 1.44
46 RGMLMsGFF 1.44
47 RGPLMsAFF 1.44
48 RGMLysAFF 1.44
49 KGPLMsGFF 1.45
50 KGMLysGFF 1.45
51 KGKMIsGFF 1.68
52 RGKMIsAFF 1.68
53 RGPMIsAFF 1.73
54 KGPMIsGFF 1.73
55 RGMMIsGFF 1.73
56 RGKMssAFF 1.77
57 KGKMssGFF 1.78
58 RGPMssAFF 1.82
59 RGMMssGFF 1.82
60 KGPMssGFF 1.82
61 RGKLIsAFF 1.83
62 KGKLIsGFF 1.83
63 RGPLIsAFF 1.88
64 KGPLIsGFF 1.88
65 RGMLIsGFF 1.88
66 RGKMMsGFF 1.89
67 KGKMysGFF 1.89
68 RGKMysAFF 1.89
69 RGKLssAFF 1.92
70 KGKLssGFF 1.93
71 RGPMMsGFF 1.94
72 KGPMysGFF 1.94
73 RGMMysGFF 1.94
74 RGPMysAFF 1.94
75 KGPLssGFF 1.97
76 RGMLssGFF 1.97
77 RGPLssAFF 1.97
78 KGKLysGFF 2.04
79 RGKLysAFF 2.04
80 RGKLMsGFF 2.04
81 KGPLysGFF 2.09
82 RGPLMsGFF 2.09
83 RGPLysAFF 2.09
84 RGMLysGFF 2.09
85 RGKMIsGFF 2.33
86 RGPMIsGFF 2.38
87 RGKMssGFF 2.42
88 RGPMssGFF 2.47
89 RGKLIsGFF 2.48
90 RGPLIsGFF 2.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KGMLysAFF

3.32

-25.35

-22.03
2 KGMMysAFF

3.31

-24.84

-21.53
3 KGPMMsAFF

3.61

-24.8

-21.19
4 KGKLMsAFF

3.32

-24.39

-21.07
5 KGPLMsAFF

3.27

-24.13

-20.86
6 KGPLIsAFF

3.35

-24.16

-20.81
7 KGMLssAFF

3.48

-24.16

-20.68
8 RGMMssAFF

3.41

-24.06

-20.65
9 KGMLMsAFF

3.54

-24.17

-20.63
10 KGMMMsAFF

3.68

-24.31

-20.63
11 KGPMIsAFF

3.41

-23.97

-20.56
12 KGKMMsAFF

3.5

-24.03

-20.53
13 RGKMMsAFF

3.47

-23.88

-20.41
14 KGMMssAFF

3.38

-23.55

-20.17
15 KGKMssAFF

3.51

-23.53

-20.02
16 KGPMssAFF

3.34

-22.92

-19.58
17 KGMMIsGFF

3.31

-22.8

-19.49
18 KGMMssGFF

3.83

-23.02

-19.19
19 KGMMMsGFF

3.24

-22.36

-19.12
20 RGMMIsAFF

3.64

-22.05

-18.41
21 RGMMMsAFF

3.66

-21.95

-18.29
22 KGMMIsAFF

3.43

-21.65

-18.22
23 RGMLMsAFF

3.5

-21.65

-18.15
24 KGMLIsAFF

3.31

-21.35

-18.04
25 KGKLIsAFF

3.55

-21.55

-18.0
26 KGKMMsGFF

3.28

-20.62

-17.34
27 KGKMIsAFF

3.6

-20.63

-17.03
28 RGMLIsAFF

4.19

-20.05

-15.86
29 KGMLMsGFF

3.35

-17.66

-14.31
30 KGMLIsGFF

5.4

-18.27

-12.87

 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