Predicted ligand sequences


ADAN-name: 1MV02.PDB (view again the scoring matrix)

PDB name: [1MV0.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L L P T P P L S P S R R S G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14
poly-Ala
A
A
A
 A
A
 A A
A
A
A
A
 A
A
G

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 10.965 ΔGbinding 0.850
TOTAL
 11.815
Backbone Hb -0.460 Cis_bond 0.000
Sidechain Hb -4.140 Torsional clash 0.540
Van der Waals -10.380 Backbone clash 1.890
Electrostatics -1.500 Helix dipole 0.000
Solvation Polar 15.340 Water bridges -0.970
Solvation Hyd -11.350 Disulfide 0.000
VdW clashes 4.490 Electrost. Kon -1.380
Entropy sc 6.010 Part.cov.bonds 0.000
Entropy mc

4.640

 ΔGstability

59.510
       

Predicted ligand sequences for template [1MV02.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).
 
  1MV02.PDB  

(data)
# Predicted Sequences Value Calculate
1 FLPMPRRNRRRNIG 0.0
2 YLPMPRRNRRRNIG 0.01
3 MLPMPRRNRRRNIG 0.02
4 FLWMPRRNRRRNIG 0.04
5 YLWMPRRNRRRNIG 0.05
6 MLWMPRRNRRRNIG 0.06
7 FLPMPRRNRRRIIG 0.09
8 YLPMPRRNRRRIIG 0.1
9 FLPMPRRNRRRRIG 0.1
10 FLPMPRHNRRRNIG 0.1
11 YLPMPRHNRRRNIG 0.11
12 MLPMPRRNRRRIIG 0.11
13 YLPMPRRNRRRRIG 0.11
14 MLPMPRHNRRRNIG 0.12
15 MLPMPRRNRRRRIG 0.12
16 FLDMPRRNRRRNIG 0.12
17 FLWMPRRNRRRIIG 0.13
18 YLDMPRRNRRRNIG 0.13
19 FLWMPRHNRRRNIG 0.14
20 YLWMPRRNRRRIIG 0.14
21 FLWMPRRNRRRRIG 0.14
22 MLDMPRRNRRRNIG 0.14
23 YLWMPRRNRRRRIG 0.15
24 YLWMPRHNRRRNIG 0.15
25 MLWMPRRNRRRIIG 0.15
26 MLWMPRHNRRRNIG 0.16
27 MLWMPRRNRRRRIG 0.16
28 FLPMPRHNRRRIIG 0.18
29 YLPMPRHNRRRIIG 0.19
30 FLPMPRHNRRRRIG 0.2
31 MLPMPRHNRRRIIG 0.2
32 FLDMPRRNRRRIIG 0.21
33 YLPMPRHNRRRRIG 0.21
34 YLDMPRRNRRRIIG 0.22
35 MLPMPRHNRRRRIG 0.22
36 FLDMPRRNRRRRIG 0.22
37 FLDMPRHNRRRNIG 0.22
38 FLWMPRHNRRRIIG 0.22
39 MLDMPRRNRRRIIG 0.22
40 YLDMPRRNRRRRIG 0.23
41 YLDMPRHNRRRNIG 0.23
42 YLWMPRHNRRRIIG 0.23
43 MLDMPRRNRRRRIG 0.24
44 FLWMPRHNRRRRIG 0.24
45 MLDMPRHNRRRNIG 0.24
46 MLWMPRHNRRRIIG 0.24
47 YLWMPRHNRRRRIG 0.25
48 MLWMPRHNRRRRIG 0.26
49 FLDMPRHNRRRIIG 0.3
50 YLDMPRHNRRRIIG 0.31
51 FLDMPRHNRRRRIG 0.32
52 MLDMPRHNRRRIIG 0.32
53 FLPMPRQNRRRNIG 0.32
54 FLPMPHRNRRRNIG 0.33
55 YLDMPRHNRRRRIG 0.33
56 FLPMPRRNSRRNIG 0.33
57 MLDMPRHNRRRRIG 0.33
58 YLPMPRQNRRRNIG 0.33
59 YLPMPRRNSRRNIG 0.34
60 YLPMPHRNRRRNIG 0.34
61 MLPMPRQNRRRNIG 0.34
62 MLPMPHRNRRRNIG 0.35
63 MLPMPRRNSRRNIG 0.35
64 FLWMPRQNRRRNIG 0.36
65 FLPMPRRNRHRNIG 0.36
66 FLPKPRRNRRRNIG 0.37
67 YLWMPRQNRRRNIG 0.37
68 FLWMPHRNRRRNIG 0.37
69 YLPMPRRNRHRNIG 0.37
70 FLWMPRRNSRRNIG 0.37
71 YLWMPRRNSRRNIG 0.38
72 MLPMPRRNRHRNIG 0.38
73 YLWMPHRNRRRNIG 0.38
74 MLWMPRQNRRRNIG 0.38
75 YLPKPRRNRRRNIG 0.38
76 MLWMPHRNRRRNIG 0.39
77 MLWMPRRNSRRNIG 0.39
78 MLPKPRRNRRRNIG 0.39
79 FLPMPRQNRRRIIG 0.4
80 FLWMPRRNRHRNIG 0.4
81 YLPMPRQNRRRIIG 0.41
82 FLPMPRRNRRRNVG 0.41
83 YLWMPRRNRHRNIG 0.41
84 FLWKPRRNRRRNIG 0.41
85 FLPRPRRNRRRNIG 0.42
86 FLPMPHRNRRRIIG 0.42
87 YLWKPRRNRRRNIG 0.42
88 FLPMPRRNSRRIIG 0.42
89 FLPMPRQNRRRRIG 0.42
90 YLPMPRRNRRRNVG 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MLPMPRRNRRRNIG

11.86

-14.28

-2.42
2 MLWMPRRNRRRNIG

11.3

-12.34

-1.04
3 YLPMPRRNRRRRIG

11.41

-11.95

-0.54
4 YLPMPRRNRRRNIG

11.04

-11.32

-0.28
5 MLDMPRRNRRRNIG

10.76

-10.79

-0.03
6 MLWMPRRNRRRRIG

11.62

-10.53

1.09
7 YLDMPRRNRRRNIG

11.38

-9.66

1.72
8 FLPMPRRNRRRNIG

11.04

-9.22

1.82
9 FLPMPRHNRRRNIG

11.05

-9.2

1.85
10 MLPMPRHNRRRNIG

11.25

-9.36

1.89
11 FLWMPRRNRRRRIG

10.73

-8.73

2.0
12 MLWMPRHNRRRNIG

11.07

-8.52

2.55
13 FLDMPRRNRRRNIG

11.04

-8.42

2.62
14 YLWMPRRNRRRRIG

11.26

-8.43

2.83
15 FLWMPRRNRRRNIG

11.94

-8.87

3.07
16 MLPMPRRNRRRRIG

12.46

-9.38

3.08
17 FLPMPRRNRRRIIG

11.79

-8.28

3.51
18 FLPMPRHNRRRIIG

12.64

-8.64

4.0
19 FLWMPRHNRRRNIG

11.89

-7.89

4.0
20 FLPMPRRNRRRRIG

12.87

-8.64

4.23
21 YLWMPRRNRRRNIG

13.08

-8.36

4.72
22 YLPMPRHNRRRNIG

11.48

-6.53

4.95
23 YLWMPRHNRRRNIG

11.69

-6.64

5.05
24 FLWMPRRNRRRIIG

12.67

-7.09

5.58
25 FLPMPRHNRRRRIG

10.4

-4.43

5.97
26 MLWMPRRNRRRIIG

12.65

-6.43

6.22
27 YLPMPRHNRRRIIG

11.33

-4.36

6.97
28 MLPMPRRNRRRIIG

11.78

-4.58

7.2
29 YLWMPRRNRRRIIG

13.65

-6.33

7.32
30 YLPMPRRNRRRIIG

12.92

-3.6

9.32

 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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