Predicted ligand sequences


ADAN-name: 1VEB2.PDB (view again the scoring matrix)

PDB name: [1VEB.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    

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Intraclash 7.635 ΔGbinding -26.701
TOTAL
 -19.066
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -8.662 Torsional clash 1.328
Van der Waals -17.442 Backbone clash 0.595
Electrostatics -12.991 Helix dipole 0.065
Solvation Polar 27.721 Water bridges -0.593
Solvation Hyd -20.274 Disulfide 0.000
VdW clashes 0.473 Electrost. Kon -5.360
Entropy sc 7.209 Part.cov.bonds 0.000
Entropy mc

6.651

 ΔGstability

-13.804
       

Predicted ligand sequences for template [1VEB2.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).
 
  1VEB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 sREDMWWRFWRMKRRRVIyW 0.0
2 sREDMFWVFWRMKRRRVIyW 0.01
3 sREDMWWVFWRMKRRRVIyW 0.01
4 EREDMFWRFWRMKRRRVIyW 0.01
5 EREDMWWRFWRMKRRRVIyW 0.01
6 EREDMWWVFWRMKRRRVIyW 0.01
7 sREDMFWRFWRMKRRRVIyW 0.01
8 sREDMWWKFWRMKRRRVIyW 0.01
9 EREDMWWKFWRMKRRRVIyW 0.01
10 sREDMFWKFWRMKRRRVIyW 0.02
11 EREDMFWKFWRMKRRRVIyW 0.02
12 sREpMWWRFWRMKRRRVIyW 0.02
13 EREDMFWVFWRMKRRRVIyW 0.02
14 sREpMFWRFWRMKRRRVIyW 0.03
15 sREsMWWRFWRMKRRRVIyW 0.03
16 EREpMWWKFWRMKRRRVIyW 0.03
17 EREpMWWVFWRMKRRRVIyW 0.03
18 sREpMFWVFWRMKRRRVIyW 0.03
19 sREpMWWKFWRMKRRRVIyW 0.03
20 EREpMFWRFWRMKRRRVIyW 0.03
21 sREpMWWVFWRMKRRRVIyW 0.03
22 EREpMWWRFWRMKRRRVIyW 0.03
23 EREsMWWRFWRMKRRRVIyW 0.04
24 sREsMWWKFWRMKRRRVIyW 0.04
25 EREsMWWKFWRMKRRRVIyW 0.04
26 EREpMFWVFWRMKRRRVIyW 0.04
27 EREpMFWKFWRMKRRRVIyW 0.04
28 sREsMFWRFWRMKRRRVIyW 0.04
29 sREpMFWKFWRMKRRRVIyW 0.04
30 sREsMWWVFWRMKRRRVIyW 0.04
31 EREsMFWRFWRMKRRRVIyW 0.04
32 sREsMFWVFWRMKRRRVIyW 0.04
33 EREsMWWVFWRMKRRRVIyW 0.04
34 sREsMFWKFWRMKRRRVIyW 0.05
35 EREsMFWKFWRMKRRRVIyW 0.05
36 EREsMFWVFWRMKRRRVIyW 0.05
37 sEEDMWWRFWRMKRRRVIyW 0.06
38 EEEDMWWRFWRMKRRRVIyW 0.06
39 sEEDMWWVFWRMKRRRVIyW 0.06
40 sEEDMWWKFWRMKRRRVIyW 0.07
41 sEEDMFWRFWRMKRRRVIyW 0.07
42 EEEDMWWVFWRMKRRRVIyW 0.07
43 EEEDMWWKFWRMKRRRVIyW 0.07
44 sEEDMFWVFWRMKRRRVIyW 0.07
45 EEEDMFWRFWRMKRRRVIyW 0.07
46 sEEpMWWRFWRMKRRRVIyW 0.08
47 EEEpMWWRFWRMKRRRVIyW 0.08
48 sTEDMWWRFWRMKRRRVIyW 0.08
49 sEEpMWWVFWRMKRRRVIyW 0.08
50 EEEDMFWVFWRMKRRRVIyW 0.08
51 EEEDMFWKFWRMKRRRVIyW 0.08
52 sEEDMFWKFWRMKRRRVIyW 0.08
53 EEEsMWWRFWRMKRRRVIyW 0.09
54 sREDMWWRFWRMKRRRPIyW 0.09
55 sEEpMFWKFWRMKRRRVIyW 0.09
56 sEEpMFWRFWRMKRRRVIyW 0.09
57 sEEsMWWVFWRMKRRRVIyW 0.09
58 EEEpMFWRFWRMKRRRVIyW 0.09
59 sTEDMWWVFWRMKRRRVIyW 0.09
60 EEEpMWWKFWRMKRRRVIyW 0.09
61 sTEDMFWRFWRMKRRRVIyW 0.09
62 ETEDMWWVFWRMKRRRVIyW 0.09
63 sEEpMFWVFWRMKRRRVIyW 0.09
64 ETEDMWWRFWRMKRRRVIyW 0.09
65 EEEpMWWVFWRMKRRRVIyW 0.09
66 sEEpMWWKFWRMKRRRVIyW 0.09
67 sEEsMWWRFWRMKRRRVIyW 0.09
68 sTEDMWWKFWRMKRRRVIyW 0.09
69 EREDMWWKFWRMKRRRPIyW 0.1
70 sREDMFWRFWRMKRRRPIyW 0.1
71 EEEsMWWVFWRMKRRRVIyW 0.1
72 sREDMWWKFWRMKRRRPIyW 0.1
73 sREDMWWRFWWMKRRRVIyW 0.1
74 sEEsMWWKFWRMKRRRVIyW 0.1
75 DREDMWWVFWRMKRRRVIyW 0.1
76 EREDMFWRFWRMKRRRPIyW 0.1
77 sTEpMWWRFWRMKRRRVIyW 0.1
78 DREDMWWKFWRMKRRRVIyW 0.1
79 EEEpMFWVFWRMKRRRVIyW 0.1
80 sEEsMFWRFWRMKRRRVIyW 0.1
81 sREDMWWVFWRMKRRRPIyW 0.1
82 EREDMWWVFWRMKRRRPIyW 0.1
83 EEEpMFWKFWRMKRRRVIyW 0.1
84 EEEsMFWRFWRMKRRRVIyW 0.1
85 sEEsMFWVFWRMKRRRVIyW 0.1
86 EREDMWWRFWRMKRRRPIyW 0.1
87 DREDMFWRFWRMKRRRVIyW 0.1
88 sTEDMFWKFWRMKRRRVIyW 0.1
89 ETEDMWWKFWRMKRRRVIyW 0.1
90 DREDMWWRFWRMKRRRVIyW 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EREpMWWRFWRMKRRRVIyW

10.29

-38.02

-27.73
2 EREpMWWKFWRMKRRRVIyW

10.68

-37.69

-27.01
3 EREDMFWRFWRMKRRRVIyW

9.56

-34.79

-25.23
4 sREpMWWRFWRMKRRRVIyW

11.0

-36.22

-25.22
5 EREpMFWVFWRMKRRRVIyW

9.42

-34.57

-25.15
6 sREsMWWKFWRMKRRRVIyW

9.66

-34.71

-25.05
7 sREpMFWKFWRMKRRRVIyW

9.68

-34.27

-24.59
8 EREsMWWRFWRMKRRRVIyW

9.86

-33.75

-23.89
9 EREpMFWRFWRMKRRRVIyW

11.81

-35.11

-23.3
10 sREpMFWVFWRMKRRRVIyW

9.94

-32.93

-22.99
11 sREsMWWVFWRMKRRRVIyW

10.72

-33.46

-22.74
12 sREDMFWKFWRMKRRRVIyW

10.97

-32.91

-21.94
13 sREDMWWRFWRMKRRRVIyW

9.8

-31.49

-21.69
14 EREDMWWRFWRMKRRRVIyW

10.17

-31.64

-21.47
15 sREpMFWRFWRMKRRRVIyW

14.37

-35.79

-21.42
16 sREsMFWRFWRMKRRRVIyW

11.31

-32.5

-21.19
17 EREDMWWVFWRMKRRRVIyW

12.36

-33.23

-20.87
18 sREpMWWVFWRMKRRRVIyW

10.57

-31.05

-20.48
19 sREsMWWRFWRMKRRRVIyW

10.92

-31.21

-20.29
20 EREpMWWVFWRMKRRRVIyW

11.93

-32.11

-20.18
21 EREDMFWKFWRMKRRRVIyW

10.17

-30.23

-20.06
22 sREDMFWVFWRMKRRRVIyW

13.81

-33.61

-19.8
23 sREpMWWKFWRMKRRRVIyW

13.19

-32.1

-18.91
24 EREpMFWKFWRMKRRRVIyW

12.61

-31.17

-18.56
25 EREsMWWKFWRMKRRRVIyW

15.53

-33.67

-18.14
26 sREDMFWRFWRMKRRRVIyW

12.0

-29.81

-17.81
27 EREDMFWVFWRMKRRRVIyW

13.56

-30.84

-17.28
28 sREDMWWKFWRMKRRRVIyW

14.85

-31.85

-17.0
29 sREDMWWVFWRMKRRRVIyW

12.67

-29.06

-16.39
30 EREDMWWKFWRMKRRRVIyW

11.89

-27.21

-15.32

 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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