Predicted ligand sequences


ADAN-name: 2CPK2.PDB (view again the scoring matrix)

PDB name: [2CPK.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 14.481 ΔGbinding -21.575
TOTAL
 -7.094
Backbone Hb -7.163 Cis_bond 0.000
Sidechain Hb -9.813 Torsional clash 8.703
Van der Waals -17.454 Backbone clash 1.753
Electrostatics -10.293 Helix dipole 0.087
Solvation Polar 25.584 Water bridges -0.279
Solvation Hyd -21.551 Disulfide 0.000
VdW clashes 0.989 Electrost. Kon -4.403
Entropy sc 8.024 Part.cov.bonds 0.000
Entropy mc

5.994

 ΔGstability

56.267
       

Predicted ligand sequences for template [2CPK2.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).
 
  2CPK2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERWsMWRSMRRRGRRyRFGG 0.0
2 ERWsMWWSMRRRGRRyRFGG 0.0
3 sRWsMWWSMRRRGRRyRFGG 0.01
4 sRWsMWRSMRRRGRRyRFGG 0.01
5 pRWsMWRSMRRRGRRyRFGG 0.02
6 pRWsMWWSMRRRGRRyRFGG 0.02
7 ERWpMWRSMRRRGRRyRFGG 0.03
8 ERWpMWWSMRRRGRRyRFGG 0.03
9 ERWsMWTSMRRRGRRyRFGG 0.04
10 sRWpMWRSMRRRGRRyRFGG 0.04
11 sRWpMWWSMRRRGRRyRFGG 0.04
12 pRWpMWRSMRRRGRRyRFGG 0.05
13 ERWRMWWSMRRRGRRyRFGG 0.05
14 sRWsMWTSMRRRGRRyRFGG 0.05
15 pRWpMWWSMRRRGRRyRFGG 0.05
16 ERWRMWRSMRRRGRRyRFGG 0.05
17 sRWRMWRSMRRRGRRyRFGG 0.06
18 ERWsMWWNMRRRGRRyRFGG 0.06
19 sRWRMWWSMRRRGRRyRFGG 0.06
20 pRWsMWTSMRRRGRRyRFGG 0.06
21 ERWsMWRNMRRRGRRyRFGG 0.06
22 pRWRMWRSMRRRGRRyRFGG 0.07
23 pRWRMWWSMRRRGRRyRFGG 0.07
24 ERWsMWRSMRRRGKRyRFGG 0.07
25 sRWsMWRNMRRRGRRyRFGG 0.07
26 sRWsMWWNMRRRGRRyRFGG 0.07
27 ERWsMWWSMRRRGKRyRFGG 0.07
28 ERWpMWTSMRRRGRRyRFGG 0.07
29 sRWsMWRSMRRRGKRyRFGG 0.07
30 sRWsMWWSMRRRGKRyRFGG 0.08
31 ERWpMWRNMRRRGRRyRFGG 0.08
32 ERWsLWWSMRRRGRRyRFGG 0.08
33 pRWsMWRNMRRRGRRyRFGG 0.08
34 pRWsMWWNMRRRGRRyRFGG 0.08
35 ERWsLWRSMRRRGRRyRFGG 0.08
36 sRWpMWTSMRRRGRRyRFGG 0.08
37 pRWsMWRSMRRRGKRyRFGG 0.09
38 sRWsLWWSMRRRGRRyRFGG 0.09
39 ERWRMWTSMRRRGRRyRFGG 0.09
40 ERWsMWRQMRRRGRRyRFGG 0.09
41 ERWpMWWNMRRRGRRyRFGG 0.09
42 pRWpMWTSMRRRGRRyRFGG 0.09
43 sRWsLWRSMRRRGRRyRFGG 0.09
44 ERWsMWTNMRRRGRRyRFGG 0.09
45 ERWsMWWQMRRRGRRyRFGG 0.09
46 pRWsMWWSMRRRGKRyRFGG 0.09
47 pRWsLWWSMRRRGRRyRFGG 0.1
48 sRWsMWRQMRRRGRRyRFGG 0.1
49 sRWpMWRNMRRRGRRyRFGG 0.1
50 sRWRMWTSMRRRGRRyRFGG 0.1
51 ERWpMWWSMRRRGKRyRFGG 0.1
52 ERWsMWTSMRRRGKRyRFGG 0.1
53 sRWpMWWNMRRRGRRyRFGG 0.1
54 sRWsMWWQMRRRGRRyRFGG 0.1
55 ERWpMWRSMRRRGKRyRFGG 0.1
56 pRWsLWRSMRRRGRRyRFGG 0.1
57 sRWsMWTNMRRRGRRyRFGG 0.1
58 pRWsMWRQMRRRGRRyRFGG 0.11
59 sRWpMWWSMRRRGKRyRFGG 0.11
60 pRWsMWWQMRRRGRRyRFGG 0.11
61 ERWpLWWSMRRRGRRyRFGG 0.11
62 sRWsMWTSMRRRGKRyRFGG 0.11
63 ERWpLWRSMRRRGRRyRFGG 0.11
64 ERWRMWRNMRRRGRRyRFGG 0.11
65 pRWpMWWNMRRRGRRyRFGG 0.11
66 ERWRMWWNMRRRGRRyRFGG 0.11
67 pRWpMWRNMRRRGRRyRFGG 0.11
68 pRWRMWTSMRRRGRRyRFGG 0.11
69 sRWpMWRSMRRRGKRyRFGG 0.11
70 ERWsLWTSMRRRGRRyRFGG 0.12
71 ERWpMWWQMRRRGRRyRFGG 0.12
72 ERWpMWRQMRRRGRRyRFGG 0.12
73 ERWRMWRSMRRRGKRyRFGG 0.12
74 pRWsMWTNMRRRGRRyRFGG 0.12
75 pRWpMWWSMRRRGKRyRFGG 0.12
76 sRWpLWRSMRRRGRRyRFGG 0.12
77 ERWsMWWNMRRRGKRyRFGG 0.12
78 ERWRMWWSMRRRGKRyRFGG 0.12
79 ERWsMWRNMRRRGKRyRFGG 0.12
80 pRWpMWRSMRRRGKRyRFGG 0.12
81 sRWRMWRNMRRRGRRyRFGG 0.12
82 ERWsMWTQMRRRGRRyRFGG 0.12
83 sRWpLWWSMRRRGRRyRFGG 0.12
84 ERWpMWTNMRRRGRRyRFGG 0.12
85 sRWRMWWNMRRRGRRyRFGG 0.12
86 sRWsMWRNMRRRGKRyRFGG 0.13
87 pRWRMWRNMRRRGRRyRFGG 0.13
88 sRWsMWTQMRRRGRRyRFGG 0.13
89 sRWpMWRQMRRRGRRyRFGG 0.13
90 sRWpMWWQMRRRGRRyRFGG 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 ERWpMWTSMRRRGRRyRFGG

10.06

-40.21

-30.15
2 sRWsMWTSMRRRGRRyRFGG

9.54

-39.05

-29.51
3 ERWsMWRNMRRRGRRyRFGG

9.47

-38.85

-29.38
4 ERWsMWRSMRRRGKRyRFGG

10.57

-38.8

-28.23
5 sRWsMWRNMRRRGRRyRFGG

10.41

-38.59

-28.18
6 ERWsMWWSMRRRGRRyRFGG

10.4

-38.56

-28.16
7 sRWpMWRSMRRRGRRyRFGG

11.9

-39.54

-27.64
8 pRWpMWRSMRRRGRRyRFGG

9.97

-37.56

-27.59
9 ERWsMWTSMRRRGRRyRFGG

9.91

-37.23

-27.32
10 pRWsMWWSMRRRGRRyRFGG

10.37

-37.63

-27.26
11 ERWpMWRSMRRRGRRyRFGG

10.28

-37.52

-27.24
12 ERWpMWWSMRRRGRRyRFGG

10.58

-37.8

-27.22
13 ERWRMWWSMRRRGRRyRFGG

10.76

-37.76

-27.0
14 ERWsMWWNMRRRGRRyRFGG

10.77

-37.54

-26.77
15 ERWsMWRSMRRRGRRyRFGG

10.21

-36.97

-26.76
16 pRWRMWRSMRRRGRRyRFGG

12.64

-39.3

-26.66
17 sRWsMWWSMRRRGRRyRFGG

11.96

-38.61

-26.65
18 sRWsMWRSMRRRGKRyRFGG

9.79

-36.44

-26.65
19 sRWsMWRSMRRRGRRyRFGG

10.42

-37.06

-26.64
20 pRWsMWRSMRRRGRRyRFGG

10.55

-37.12

-26.57
21 sRWpMWWSMRRRGRRyRFGG

10.88

-36.97

-26.09
22 pRWsMWTSMRRRGRRyRFGG

10.73

-36.73

-26.0
23 sRWRMWWSMRRRGRRyRFGG

9.91

-35.57

-25.66
24 sRWRMWRSMRRRGRRyRFGG

10.18

-35.82

-25.64
25 sRWsMWWNMRRRGRRyRFGG

11.59

-37.07

-25.48
26 pRWpMWWSMRRRGRRyRFGG

9.87

-35.1

-25.23
27 ERWRMWRSMRRRGRRyRFGG

11.59

-36.49

-24.9
28 ERWsMWWSMRRRGKRyRFGG

11.34

-35.94

-24.6
29 pRWRMWWSMRRRGRRyRFGG

10.7

-35.07

-24.37
30 sRWsMWWSMRRRGKRyRFGG

13.97

-34.2

-20.23

 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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