Predicted ligand sequences


ADAN-name: 1VJ62.PDB (view again the scoring matrix)

PDB name: [1VJ6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Y L V T S V
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 4.990 ΔGbinding -4.890
TOTAL
 0.100
Backbone Hb -5.550 Cis_bond 0.000
Sidechain Hb -2.550 Torsional clash 0.570
Van der Waals -9.370 Backbone clash 4.040
Electrostatics -0.310 Helix dipole 0.020
Solvation Polar 15.630 Water bridges -0.330
Solvation Hyd -11.900 Disulfide 0.000
VdW clashes 0.910 Electrost. Kon -0.160
Entropy sc 4.460 Part.cov.bonds 0.000
Entropy mc

3.690

 ΔGstability

52.370
       

Predicted ligand sequences for template [1VJ62.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).
 
  1VJ62.PDB  

(data)
# Predicted Sequences Value Calculate
1 EGMIMV 0.0
2 EGMMMV 0.13
3 EGMLMV 0.17
4 EGMIIV 0.26
5 ELMIMV 0.27
6 EGMMIV 0.39
7 ELMMMV 0.4
8 EGMILV 0.4
9 EGMLIV 0.43
10 ELMLMV 0.44
11 EMMIMV 0.45
12 EFMIMV 0.48
13 EGMDMV 0.49
14 EGCIMV 0.51
15 ELMIIV 0.53
16 GGMIMV 0.53
17 EGMMLV 0.53
18 EGMLLV 0.57
19 EMMMMV 0.58
20 EFMMMV 0.61
21 EMMLMV 0.62
22 EGCMMV 0.64
23 EFMLMV 0.65
24 GGMMMV 0.66
25 ELMMIV 0.66
26 ELMILV 0.67
27 EGCLMV 0.68
28 ELMLIV 0.7
29 GGMLMV 0.7
30 EMMIIV 0.71
31 EFMIIV 0.74
32 EGMDIV 0.75
33 ELMDMV 0.76
34 ELCIMV 0.78
35 EGCIIV 0.78
36 GLMIMV 0.8
37 GGMIIV 0.8
38 ELMMLV 0.8
39 ELMLLV 0.84
40 EMMMIV 0.84
41 EMMILV 0.85
42 EFMMIV 0.87
43 EMMLIV 0.88
44 EFMILV 0.88
45 EGMDLV 0.89
46 EGCMIV 0.91
47 ELCMMV 0.91
48 EFMLIV 0.91
49 EGCILV 0.91
50 GGMMIV 0.93
51 GLMMMV 0.93
52 EMMDMV 0.94
53 GGMILV 0.94
54 EGCLIV 0.95
55 ELCLMV 0.95
56 EMCIMV 0.96
57 EFMDMV 0.97
58 GLMLMV 0.97
59 GGMLIV 0.97
60 EMMMLV 0.98
61 GMMIMV 0.98
62 EFCIMV 0.99
63 EGCDMV 1.0
64 EFMMLV 1.01
65 GFMIMV 1.01
66 EMMLLV 1.02
67 GGMDMV 1.02
68 ELMDIV 1.02
69 EGCMLV 1.04
70 ELCIIV 1.04
71 GGCIMV 1.05
72 EFMLLV 1.05
73 GLMIIV 1.06
74 GGMMLV 1.07
75 EGCLLV 1.08
76 EMCMMV 1.09
77 GMMMMV 1.11
78 GGMLLV 1.11
79 EFCMMV 1.12
80 EMCLMV 1.13
81 GFMMMV 1.14
82 GMMLMV 1.15
83 ELMDLV 1.16
84 EFCLMV 1.16
85 ELCMIV 1.17
86 GGCMMV 1.18
87 GFMLMV 1.18
88 ELCILV 1.18
89 GLMMIV 1.19
90 GLMILV 1.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EGMIMV

4.01

-9.65

-5.64
2 EGCIMV

3.96

-9.56

-5.6
3 EGCLMV

3.75

-9.14

-5.39
4 EGMIIV

3.44

-8.63

-5.19
5 GGMMMV

3.28

-8.19

-4.91
6 EGMLIV

4.33

-9.11

-4.78
7 EGMMIV

3.53

-8.14

-4.61
8 EGMLMV

3.99

-8.5

-4.51
9 EGMILV

3.82

-8.29

-4.47
10 EMMLMV

4.78

-9.13

-4.35
11 EGMLLV

3.72

-8.02

-4.3
12 EFMIMV

5.25

-9.49

-4.24
13 EGMMLV

3.47

-7.64

-4.17
14 ELMLIV

5.07

-9.2

-4.13
15 GGMLMV

3.29

-7.31

-4.02
16 EMMIIV

5.83

-9.71

-3.88
17 ELMMIV

5.31

-9.12

-3.81
18 ELMILV

5.58

-9.36

-3.78
19 EFMMMV

5.41

-9.09

-3.68
20 ELMIIV

5.99

-9.63

-3.64
21 GGMIMV

3.08

-6.64

-3.56
22 EFMLMV

5.39

-8.86

-3.47
23 EGMMMV

3.78

-7.11

-3.33
24 ELMIMV

5.13

-8.38

-3.25
25 EGMDMV

3.96

-7.17

-3.21
26 ELMMMV

4.69

-7.69

-3.0
27 EMMIMV

5.26

-8.21

-2.95
28 EGCMMV

3.27

-6.16

-2.89
29 ELMLMV

5.47

-8.2

-2.73
30 EMMMMV

4.85

-7.56

-2.71

 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