Predicted ligand sequences


ADAN-name: 1GP22.PDB (view again the scoring matrix)

PDB name: [1GP2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT F D V G G Q R S E R K K W I H C F E G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala
A
 A
A
G
 G
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 5.540 ΔGbinding -15.529
TOTAL
 -9.989
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -7.038 Torsional clash 0.291
Van der Waals -10.374 Backbone clash 0.570
Electrostatics -6.307 Helix dipole 0.000
Solvation Polar 15.940 Water bridges -0.463
Solvation Hyd -13.414 Disulfide 0.000
VdW clashes 1.416 Electrost. Kon -3.640
Entropy sc 8.610 Part.cov.bonds 0.000
Entropy mc

2.499

 ΔGstability

110.532
       

Predicted ligand sequences for template [1GP22.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).
 
  1GP22.PDB  

(data)
# Predicted Sequences Value Calculate
1 MpFDPQHHKDRKISKHWTG 0.0
2 MFFDPQHHKDRKISKHWTG 0.01
3 MpWDPQHHKDRKISKHWTG 0.01
4 MpFDPQHGKDRKISKHWTG 0.01
5 MpFsPQHHKDRKISKHWTG 0.02
6 MFWDPQHHKDRKISKHWTG 0.02
7 MFFDPQHGKDRKISKHWTG 0.02
8 MFFsPQHHKDRKISKHWTG 0.03
9 MpWDPQHGKDRKISKHWTG 0.03
10 MpFDYQHHKDRKISKHWTG 0.03
11 MFFDYQHHKDRKISKHWTG 0.04
12 MFWDPQHGKDRKISKHWTG 0.04
13 MpFDPQHHKDRKISKHWEG 0.04
14 MpFsPQHGKDRKISKHWTG 0.04
15 MpWsPQHHKDRKISKHWTG 0.04
16 MFWsPQHHKDRKISKHWTG 0.04
17 MFFsPQHGKDRKISKHWTG 0.04
18 MpFDPQHHKDRKISRHWTG 0.04
19 MFFDPQHHKDRKISKHWEG 0.05
20 MFFDPQHHKDRKISRHWTG 0.05
21 MpFsYQHHKDRKISKHWTG 0.05
22 MpFDPQHGKDRKISKHWEG 0.05
23 MpFDYQHGKDRKISKHWTG 0.05
24 MpWDPQHHKDRKISKHWEG 0.05
25 MpWsPQHGKDRKISKHWTG 0.05
26 MpWDYQHHKDRKISKHWTG 0.05
27 MpFsPQHHKDRKISRHWTG 0.06
28 MpFsPQHHKDRKISKHWEG 0.06
29 MyFDPQHHKDRKISKHWTG 0.06
30 MFWsPQHGKDRKISKHWTG 0.06
31 MFWDPQHHKDRKISKHWEG 0.06
32 MFFsYQHHKDRKISKHWTG 0.06
33 MFWDYQHHKDRKISKHWTG 0.06
34 MFFDPQHGKDRKISKHWEG 0.06
35 MpWDPQHHKDRKISRHWTG 0.06
36 MpFDPQHGKDRKISRHWTG 0.06
37 MFFDYQHGKDRKISKHWTG 0.06
38 MpWDYQHGKDRKISKHWTG 0.06
39 MpWDPQHGKDRKISKHWEG 0.07
40 MFWDPQHHKDRKISRHWTG 0.07
41 MFFsPQHHKDRKISKHWEG 0.07
42 MFFsPQHHKDRKISRHWTG 0.07
43 MpFDYQHHKDRKISKHWEG 0.07
44 MFWDYQHGKDRKISKHWTG 0.07
45 MpFsYQHGKDRKISKHWTG 0.07
46 MFFDPQHGKDRKISRHWTG 0.07
47 MpWsYQHHKDRKISKHWTG 0.07
48 MpWDPQHGKDRKISRHWTG 0.07
49 MFWsPQHHKDRKISKHWEG 0.08
50 MyFsPQHHKDRKISKHWTG 0.08
51 MyWDPQHHKDRKISKHWTG 0.08
52 MFWDPQHGKDRKISRHWTG 0.08
53 MpFDYQHHKDRKISRHWTG 0.08
54 MyFDPQHGKDRKISKHWTG 0.08
55 MFFsPQHGKDRKISKHWEG 0.08
56 MFWDPQHGKDRKISKHWEG 0.08
57 MFFsYQHGKDRKISKHWTG 0.08
58 MpFDPQHHKDRKISRHWEG 0.08
59 MpWsYQHGKDRKISKHWTG 0.08
60 MFWsYQHHKDRKISKHWTG 0.08
61 MpWsPQHHKDRKISKHWEG 0.08
62 MpWsPQHHKDRKISRHWTG 0.08
63 MpFsPQHGKDRKISKHWEG 0.08
64 MpFsPQHGKDRKISRHWTG 0.08
65 MFFDYQHHKDRKISRHWTG 0.08
66 MFFDYQHHKDRKISKHWEG 0.08
67 MpWDYQHHKDRKISKHWEG 0.09
68 MpWDYQHHKDRKISRHWTG 0.09
69 MpFDPQKHKDRKISKHWTG 0.09
70 MpWsPQHGKDRKISKHWEG 0.09
71 MFWDYQHHKDRKISKHWEG 0.09
72 MpWsPQHGKDRKISRHWTG 0.09
73 MFFDPQHHKDRKISRHWEG 0.09
74 MpFDYQHGKDRKISRHWTG 0.09
75 MFWsPQHHKDRKISRHWTG 0.09
76 MFFsPQHGKDRKISRHWTG 0.09
77 MFWsYQHGKDRKISKHWTG 0.09
78 MyWDPQHGKDRKISKHWTG 0.09
79 MyFDYQHHKDRKISKHWTG 0.09
80 MpFsYQHHKDRKISKHWEG 0.09
81 MFFDYQHGKDRKISKHWEG 0.09
82 MpFDYQHGKDRKISKHWEG 0.09
83 MyFDPQHHKDRKISKHWEG 0.1
84 MpFDPQHGKDRKISRHWEG 0.1
85 MFFDPQHGKDRKISRHWEG 0.1
86 MFFDPQKHKDRKISKHWTG 0.1
87 MyFsPQHGKDRKISKHWTG 0.1
88 MFWsPQHGKDRKISRHWTG 0.1
89 MpFsPQHHKDRKISRHWEG 0.1
90 MpWDPQHHKDRKISRHWEG 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MFWDPQHGKDRKISKHWTG

3.6

-17.96

-14.36
2 MFFsPQHGKDRKISKHWTG

4.25

-18.19

-13.94
3 MpWsPQHGKDRKISKHWTG

3.83

-17.74

-13.91
4 MpFDPQHGKDRKISKHWEG

3.82

-17.56

-13.74
5 MFWsPQHGKDRKISKHWTG

3.99

-17.6

-13.61
6 MFFDPQHGKDRKISKHWTG

3.96

-16.65

-12.69
7 MpFDYQHGKDRKISKHWTG

4.41

-17.02

-12.61
8 MpFsPQHHKDRKISRHWTG

5.57

-16.91

-11.34
9 MpFsPQHGKDRKISKHWTG

3.69

-14.85

-11.16
10 MyFDPQHHKDRKISKHWTG

5.24

-16.16

-10.92
11 MpWDPQHHKDRKISKHWTG

5.69

-16.59

-10.9
12 MpWDPQHGKDRKISKHWTG

3.35

-14.16

-10.81
13 MpFDPQHHKDRKISKHWTG

5.08

-15.65

-10.57
14 MFWDPQHHKDRKISKHWTG

5.54

-15.82

-10.28
15 MpWsPQHHKDRKISKHWTG

5.54

-15.78

-10.24
16 MFFDPQHHKDRKISKHWTG

5.88

-16.04

-10.16
17 MpWDPQHHKDRKISKHWEG

5.34

-15.38

-10.04
18 MpFsPQHHKDRKISKHWTG

5.19

-15.17

-9.98
19 MpFDPQHGKDRKISKHWTG

4.35

-14.23

-9.88
20 MFFsPQHHKDRKISKHWTG

5.6

-15.39

-9.79
21 MpWDYQHHKDRKISKHWTG

5.18

-14.96

-9.78
22 MpFDPQHHKDRKISRHWTG

5.3

-14.99

-9.69
23 MpFDPQHHKDRKISKHWEG

5.5

-15.11

-9.61
24 MFFDYQHHKDRKISKHWTG

5.3

-14.88

-9.58
25 MpFDYQHHKDRKISKHWTG

5.97

-15.34

-9.37
26 MFWsPQHHKDRKISKHWTG

5.17

-14.17

-9.0
27 MFFDPQHHKDRKISRHWTG

5.74

-14.12

-8.38
28 MpFsPQHHKDRKISKHWEG

5.15

-13.48

-8.33
29 MFFDPQHHKDRKISKHWEG

5.86

-13.96

-8.1
30 MpFsYQHHKDRKISKHWTG

5.74

-13.34

-7.6

 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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