Predicted ligand sequences


ADAN-name: 1GBQ2.PDB (view again the scoring matrix)

PDB name: [1GBQ.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V P P P V P P R R R
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
 A
A
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 2.327 ΔGbinding -13.850
TOTAL
 -11.523
Backbone Hb -1.160 Cis_bond 0.000
Sidechain Hb -1.890 Torsional clash 0.080
Van der Waals -8.260 Backbone clash 0.470
Electrostatics -2.000 Helix dipole 0.000
Solvation Polar 7.480 Water bridges -0.750
Solvation Hyd -11.020 Disulfide 0.000
VdW clashes 0.450 Electrost. Kon -1.590
Entropy sc 3.600 Part.cov.bonds 0.000
Entropy mc

1.200

 ΔGstability

11.890
       

Predicted ligand sequences for template [1GBQ2.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).
 
  1GBQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPTMPRRRR 0.0
2 RRPGMPRRRR 0.01
3 RRPPMPRRRR 0.02
4 RPPTMPRRRR 0.03
5 ARPTMPRRRR 0.03
6 TRPTMPRRRR 0.03
7 RPPGMPRRRR 0.04
8 ARPGMPRRRR 0.04
9 TRPGMPRRRR 0.04
10 ARPPMPRRRR 0.05
11 RPPPMPRRRR 0.05
12 TRPPMPRRRR 0.05
13 RRPTMFRRRR 0.06
14 RRPGMFRRRR 0.06
15 APPTMPRRRR 0.06
16 TPPTMPRRRR 0.06
17 RRPTMPHRRR 0.06
18 APPGMPRRRR 0.07
19 TPPGMPRRRR 0.07
20 RRPGMPHRRR 0.07
21 RRPPMFRRRR 0.08
22 APPPMPRRRR 0.08
23 RRPPMPHRRR 0.08
24 TPPPMPRRRR 0.08
25 ARPGMFRRRR 0.09
26 TRPTMFRRRR 0.09
27 ARPTMFRRRR 0.09
28 TRPGMFRRRR 0.09
29 ARPTMPHRRR 0.09
30 RPPTMPHRRR 0.09
31 RPPTMFRRRR 0.09
32 TRPTMPHRRR 0.09
33 RPPGMPHRRR 0.1
34 TRPGMPHRRR 0.1
35 ARPGMPHRRR 0.1
36 RPPGMFRRRR 0.1
37 RRPTMPKRRR 0.1
38 TRPPMPHRRR 0.11
39 ARPPMFRRRR 0.11
40 TRPPMFRRRR 0.11
41 RPPPMFRRRR 0.11
42 ARPPMPHRRR 0.11
43 RPPPMPHRRR 0.11
44 RRPGMPKRRR 0.11
45 RRPPMPKRRR 0.12
46 TPPTMFRRRR 0.12
47 RRPTMFHRRR 0.12
48 APPTMPHRRR 0.12
49 TPPTMPHRRR 0.12
50 RRPGMFHRRR 0.12
51 APPTMFRRRR 0.12
52 TPPGMPHRRR 0.13
53 APPGMFRRRR 0.13
54 TPPGMFRRRR 0.13
55 TRPTMPKRRR 0.13
56 APPGMPHRRR 0.13
57 ARPTMPKRRR 0.13
58 RPPTMPKRRR 0.13
59 TRPGMPKRRR 0.14
60 TPPPMFRRRR 0.14
61 ARPGMPKRRR 0.14
62 TPPPMPHRRR 0.14
63 APPPMPHRRR 0.14
64 RPPGMPKRRR 0.14
65 APPPMFRRRR 0.14
66 RRPPMFHRRR 0.14
67 TRPTMFHRRR 0.15
68 TRPPMPKRRR 0.15
69 TRPGMFHRRR 0.15
70 ARPGMFHRRR 0.15
71 ARPTMFHRRR 0.15
72 RPPPMPKRRR 0.15
73 ARPPMPKRRR 0.15
74 RPPTMFHRRR 0.15
75 TPPTMPKRRR 0.16
76 RRPTMFKRRR 0.16
77 RRPGMFKRRR 0.16
78 RPPGMFHRRR 0.16
79 APPTMPKRRR 0.16
80 RMPTMPRRRR 0.16
81 RPPPMFHRRR 0.17
82 TPPGMPKRRR 0.17
83 APPGMPKRRR 0.17
84 RMPGMPRRRR 0.17
85 ARPPMFHRRR 0.17
86 TRPPMFHRRR 0.17
87 RRPPMFKRRR 0.18
88 TPPTMFHRRR 0.18
89 TPPPMPKRRR 0.18
90 APPPMPKRRR 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TRPPMPRRRR

3.73

-16.28

-12.55
2 TPPPMPRRRR

2.95

-13.93

-10.98
3 ARPTMPRRRR

3.99

-14.92

-10.93
4 RPPPMPRRRR

2.61

-13.49

-10.88
5 ARPPMPRRRR

3.2

-13.99

-10.79
6 RRPTMPRRRR

3.49

-14.26

-10.77
7 TPPGMPRRRR

2.61

-13.0

-10.39
8 RRPPMPRRRR

3.68

-13.78

-10.1
9 RRPPMPHRRR

4.19

-14.29

-10.1
10 ARPGMFRRRR

3.01

-13.07

-10.06
11 TPPTMPRRRR

2.98

-12.96

-9.98
12 ARPTMPHRRR

3.09

-13.01

-9.92
13 RRPGMPHRRR

2.72

-12.44

-9.72
14 TRPTMPRRRR

4.27

-13.98

-9.71
15 RRPPMFRRRR

3.67

-13.19

-9.52
16 APPPMPRRRR

3.2

-12.71

-9.51
17 APPTMPRRRR

2.81

-12.32

-9.51
18 TRPGMFRRRR

3.53

-13.01

-9.48
19 RPPTMPHRRR

3.04

-12.21

-9.17
20 RRPGMPRRRR

3.06

-12.23

-9.17
21 ARPTMFRRRR

3.21

-12.34

-9.13
22 RPPGMPRRRR

3.08

-12.06

-8.98
23 RRPTMPHRRR

3.23

-12.06

-8.83
24 APPGMPRRRR

2.66

-11.48

-8.82
25 RRPTMFRRRR

3.44

-12.25

-8.81
26 TRPTMFRRRR

3.29

-12.05

-8.76
27 RPPTMPRRRR

3.17

-11.83

-8.66
28 TRPGMPRRRR

4.27

-12.25

-7.98
29 RRPGMFRRRR

3.15

-11.06

-7.91
30 ARPGMPRRRR

3.24

-10.55

-7.31

 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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