Predicted ligand sequences


ADAN-name: 2C1A2.PDB (view again the scoring matrix)

PDB name: [2C1A.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
A
A
 A A
A
A
A
 G
A
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 6.794 ΔGbinding -36.146
TOTAL
 -29.352
Backbone Hb -8.263 Cis_bond 0.000
Sidechain Hb -11.062 Torsional clash 0.565
Van der Waals -18.261 Backbone clash 0.159
Electrostatics -12.773 Helix dipole 0.063
Solvation Polar 27.580 Water bridges -0.315
Solvation Hyd -22.040 Disulfide 0.000
VdW clashes 0.415 Electrost. Kon -5.040
Entropy sc 7.490 Part.cov.bonds 0.000
Entropy mc

5.496

 ΔGstability

-69.677
       

Predicted ligand sequences for template [2C1A2.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).
 
  2C1A2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWWsLYRRMKRFYYRRWIWs 0.0
2 yWWsLYRVMKRFYYRRWIWs 0.0
3 yWWsLYRIMKRFYYRRWIWs 0.0
4 yWWpLYRVMKRFYYRRWIWs 0.01
5 yWWpLYRIMKRFYYRRWIWs 0.01
6 yWWDLYRIMKRFYYRRWIWs 0.02
7 yWWDLYRRMKRFYYRRWIWs 0.02
8 yWWpLYRRMKRFYYRRWIWs 0.02
9 yWWDLYRVMKRFYYRRWIWs 0.02
10 yWWsLYRVMKRFYYRWWIWs 0.05
11 yWWsLYRIMKRFYYRWWIWs 0.05
12 yWWsLYRRMKRFYYRWWIWs 0.06
13 yWWDLYRVMKRFYYRWWIWs 0.07
14 yWWpLYRRMKRFYYRWWIWs 0.07
15 yWWDLYRRMKRFYYRWWIWs 0.07
16 yWWDLYRIMKRFYYRWWIWs 0.07
17 yWWpLYRVMKRFYYRWWIWs 0.07
18 yWWpLYRIMKRFYYRWWIWs 0.07
19 yWWsLYRIMKRFYYRKWIWs 0.15
20 yWWsLYRVMKRFYYRKWIWs 0.15
21 yWWsLYRRMKRFYYRKWIWs 0.16
22 yWWpLYRIMKRFYYRKWIWs 0.17
23 yWWpLYRVMKRFYYRKWIWs 0.17
24 yWWDLYRIMKRFYYRKWIWs 0.17
25 yWWpLYRRMKRFYYRKWIWs 0.17
26 yWWDLYRVMKRFYYRKWIWs 0.17
27 yWWDLYRRMKRFYYRKWIWs 0.18
28 EWWsLYRIMKRFYYRRWIWs 0.21
29 EWWsLYRVMKRFYYRRWIWs 0.21
30 yWWsLYRIMKRMYYRRWIWs 0.21
31 yWWsLYRVMKRMYYRRWIWs 0.21
32 EWWsLYRRMKRFYYRRWIWs 0.22
33 yWWsLYRRMKRMYYRRWIWs 0.22
34 yWWpLYRIMKRMYYRRWIWs 0.23
35 yWWsLYRVMHRFYYRRWIWs 0.23
36 EWWpLYRIMKRFYYRRWIWs 0.23
37 yWWpLYRVMKRMYYRRWIWs 0.23
38 yWWDLYRRMKRMYYRRWIWs 0.23
39 yWWDLYRVMKRMYYRRWIWs 0.23
40 yWWpLYRRMKRMYYRRWIWs 0.23
41 EWWDLYRIMKRFYYRRWIWs 0.23
42 EWWpLYRRMKRFYYRRWIWs 0.23
43 yWWDLYRIMKRMYYRRWIWs 0.23
44 EWWDLYRVMKRFYYRRWIWs 0.23
45 yWWsLYRIMHRFYYRRWIWs 0.23
46 EWWDLYRRMKRFYYRRWIWs 0.23
47 EWWpLYRVMKRFYYRRWIWs 0.23
48 DWWsLYRVMKRFYYRRWIWs 0.24
49 yWWsLYRRMHRFYYRRWIWs 0.24
50 DWWsLYRIMKRFYYRRWIWs 0.24
51 DWWsLYRRMKRFYYRRWIWs 0.24
52 DWWpLYRIMKRFYYRRWIWs 0.25
53 yWWpLYRRMHRFYYRRWIWs 0.25
54 yWWpLYRIMHRFYYRRWIWs 0.25
55 yWWDLYRIMHRFYYRRWIWs 0.25
56 yWWDLYRVMHRFYYRRWIWs 0.25
57 yWWpLYRVMHRFYYRRWIWs 0.25
58 DWWpLYRVMKRFYYRRWIWs 0.25
59 yWWDLYRRMHRFYYRRWIWs 0.25
60 DWWpLYRRMKRFYYRRWIWs 0.25
61 DWWDLYRVMKRFYYRRWIWs 0.26
62 DWWDLYRIMKRFYYRRWIWs 0.26
63 EWWsLYRVMKRFYYRWWIWs 0.26
64 EWWsLYRIMKRFYYRWWIWs 0.26
65 yWWsLYRVMKRMYYRWWIWs 0.26
66 DWWDLYRRMKRFYYRRWIWs 0.26
67 yWWsLYRIMKRMYYRWWIWs 0.26
68 EWWsLYRRMKRFYYRWWIWs 0.27
69 yWWsLYRRMKRMYYRWWIWs 0.27
70 yWWpLYRVMKRMYYRWWIWs 0.28
71 yWWsLYRVMHRFYYRWWIWs 0.28
72 yWWpLYRRMKRMYYRWWIWs 0.28
73 yWWpLYRIMKRMYYRWWIWs 0.28
74 yWWsKYRVMKRFYYRRWIWs 0.28
75 yWWsMYRRMKRFYYRRWIWs 0.28
76 yWWsMYRIMKRFYYRRWIWs 0.28
77 yWWsLYRIMHRFYYRWWIWs 0.28
78 EWWpLYRIMKRFYYRWWIWs 0.28
79 EWWpLYRRMKRFYYRWWIWs 0.28
80 EWWDLYRVMKRFYYRWWIWs 0.28
81 yWWsKYRIMKRFYYRRWIWs 0.28
82 EWWpLYRVMKRFYYRWWIWs 0.28
83 EWWDLYRIMKRFYYRWWIWs 0.28
84 yWWsMYRVMKRFYYRRWIWs 0.28
85 yWWDLYRVMKRMYYRWWIWs 0.28
86 yWWDLYRIMKRMYYRWWIWs 0.28
87 DWWsLYRVMKRFYYRWWIWs 0.29
88 EWWDLYRRMKRFYYRWWIWs 0.29
89 yWWsKYRRMKRFYYRRWIWs 0.29
90 yWWpMYRIMKRFYYRRWIWs 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yWWsLYRIMKRFYYRKWIWs

8.54

-44.83

-36.29
2 yWWDLYRIMKRFYYRKWIWs

8.0

-43.84

-35.84
3 yWWpLYRRMKRFYYRRWIWs

8.4

-43.74

-35.34
4 yWWpLYRVMKRFYYRKWIWs

8.61

-43.54

-34.93
5 yWWpLYRIMKRFYYRKWIWs

9.26

-44.09

-34.83
6 yWWpLYRVMKRFYYRRWIWs

8.9

-43.5

-34.6
7 yWWDLYRVMKRFYYRRWIWs

9.05

-43.56

-34.51
8 yWWsLYRVMKRFYYRRWIWs

8.74

-43.15

-34.41
9 yWWpLYRVMKRFYYRWWIWs

7.87

-41.74

-33.87
10 yWWpLYRIMKRFYYRRWIWs

8.35

-42.0

-33.65
11 yWWsLYRRMKRFYYRRWIWs

11.03

-44.37

-33.34
12 yWWsLYRVMKRFYYRWWIWs

8.99

-41.73

-32.74
13 yWWpLYRRMKRFYYRWWIWs

8.87

-41.53

-32.66
14 yWWsLYRIMKRFYYRWWIWs

8.48

-41.02

-32.54
15 yWWDLYRRMKRFYYRWWIWs

8.46

-40.86

-32.4
16 EWWsLYRIMKRFYYRRWIWs

9.33

-41.24

-31.91
17 yWWsLYRRMKRFYYRKWIWs

7.8

-39.55

-31.75
18 yWWsLYRIMKRMYYRRWIWs

8.16

-39.8

-31.64
19 yWWDLYRIMKRFYYRWWIWs

7.96

-39.56

-31.6
20 yWWsLYRVMKRFYYRKWIWs

9.29

-40.27

-30.98
21 yWWpLYRIMKRFYYRWWIWs

8.5

-39.13

-30.63
22 yWWpLYRRMKRFYYRKWIWs

11.95

-41.92

-29.97
23 yWWsLYRIMKRFYYRRWIWs

8.36

-37.97

-29.61
24 yWWDLYRIMKRFYYRRWIWs

10.38

-39.87

-29.49
25 yWWDLYRVMKRFYYRKWIWs

8.69

-37.66

-28.97
26 yWWDLYRRMKRFYYRKWIWs

8.68

-37.18

-28.5
27 yWWDLYRRMKRFYYRRWIWs

9.17

-37.6

-28.43
28 EWWsLYRVMKRFYYRRWIWs

8.82

-36.6

-27.78
29 yWWsLYRRMKRFYYRWWIWs

11.6

-39.36

-27.76
30 yWWDLYRVMKRFYYRWWIWs

10.49

-38.23

-27.74

 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