Predicted ligand sequences


ADAN-name: 4GBQ2.PDB (view again the scoring matrix)

PDB name: [4GBQ.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 3.541 ΔGbinding -15.690
TOTAL
 -12.149
Backbone Hb -1.790 Cis_bond 0.000
Sidechain Hb -3.400 Torsional clash 0.070
Van der Waals -8.540 Backbone clash 0.480
Electrostatics -3.970 Helix dipole 0.000
Solvation Polar 9.030 Water bridges -0.660
Solvation Hyd -10.680 Disulfide 0.000
VdW clashes 0.460 Electrost. Kon -2.980
Entropy sc 5.040 Part.cov.bonds 0.000
Entropy mc

1.720

 ΔGstability

17.080
       

Predicted ligand sequences for template [4GBQ2.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).
 
  4GBQ2.PDB  

(data)
# Predicted Sequences Value Calculate
1 APPERPRNRR 0.0
2 SPPERPRNRR 0.0
3 TPPERPRNRR 0.01
4 AKPERPRNRR 0.04
5 SPPPRPRNRR 0.04
6 APPPRPRNRR 0.04
7 SKPERPRNRR 0.04
8 APPKRPRNRR 0.04
9 SPPKRPRNRR 0.04
10 TPPPRPRNRR 0.05
11 TKPERPRNRR 0.05
12 TPPKRPRNRR 0.05
13 SKPPRPRNRR 0.08
14 AKPPRPRNRR 0.08
15 SKPKRPRNRR 0.08
16 AKPKRPRNRR 0.08
17 TKPPRPRNRR 0.09
18 TKPKRPRNRR 0.09
19 SPPERPKNRR 0.15
20 SPPERPHNRR 0.15
21 APPERPHNRR 0.15
22 APPERPKNRR 0.15
23 TPPERPKNRR 0.16
24 TPPERPHNRR 0.16
25 SKPERPHNRR 0.18
26 AKPERPHNRR 0.18
27 SPPPRPHNRR 0.19
28 SKPERPKNRR 0.19
29 SPPKRPHNRR 0.19
30 APPKRPKNRR 0.19
31 APPKRPHNRR 0.19
32 TKPERPHNRR 0.19
33 AKPERPKNRR 0.19
34 SPPKRPKNRR 0.19
35 SPPPRPKNRR 0.19
36 APPPRPKNRR 0.19
37 APPPRPHNRR 0.19
38 TKPERPKNRR 0.2
39 TPPKRPHNRR 0.2
40 TPPKRPKNRR 0.2
41 TPPPRPKNRR 0.2
42 TPPPRPHNRR 0.2
43 AKPPRPHNRR 0.22
44 SKPPRPHNRR 0.22
45 SKPKRPKNRR 0.23
46 AKPKRPKNRR 0.23
47 AKPKRPHNRR 0.23
48 SKPKRPHNRR 0.23
49 AKPPRPKNRR 0.23
50 TKPPRPHNRR 0.23
51 SKPPRPKNRR 0.23
52 TKPKRPKNRR 0.24
53 TKPKRPHNRR 0.24
54 TKPPRPKNRR 0.24
55 SAPERPRNRR 0.25
56 AAPERPRNRR 0.25
57 TAPERPRNRR 0.26
58 SAPKRPRNRR 0.29
59 AAPPRPRNRR 0.29
60 SAPPRPRNRR 0.29
61 AAPKRPRNRR 0.29
62 TAPPRPRNRR 0.3
63 TAPKRPRNRR 0.3
64 SPPERPRMRR 0.32
65 APPERPRMRR 0.32
66 SPPERARNRR 0.32
67 APPERARNRR 0.32
68 TPPERPRMRR 0.33
69 TPPERARNRR 0.33
70 SKPERPRMRR 0.35
71 AKPERPRMRR 0.35
72 APPPRPRMRR 0.36
73 APPKRARNRR 0.36
74 AKPERARNRR 0.36
75 SKPERARNRR 0.36
76 SPPPRPRMRR 0.36
77 SPPKRARNRR 0.36
78 APPPRARNRR 0.36
79 SPPKRPRMRR 0.36
80 TKPERPRMRR 0.36
81 APPKRPRMRR 0.36
82 SPPPRARNRR 0.36
83 TKPERARNRR 0.37
84 TPPKRPRMRR 0.37
85 TPPKRARNRR 0.37
86 TPPPRPRMRR 0.37
87 TPPPRARNRR 0.37
88 SKPPRPRMRR 0.39
89 AKPPRPRMRR 0.39
90 AAPERPKNRR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 TPPERPRNRR

3.94

-17.59

-13.65
2 TPPPRPRNRR

2.8

-16.04

-13.24
3 APPERPKNRR

3.23

-16.4

-13.17
4 SKPERPRNRR

3.67

-16.74

-13.07
5 TPPERPHNRR

3.09

-16.1

-13.01
6 SPPPRPRNRR

4.07

-17.08

-13.01
7 APPPRPRNRR

4.33

-17.09

-12.76
8 SPPPRPHNRR

3.17

-15.87

-12.7
9 AKPERPRNRR

5.1

-17.64

-12.54
10 AKPKRPRNRR

4.04

-16.16

-12.12
11 TPPKRPRNRR

3.21

-14.83

-11.62
12 SPPKRPRNRR

2.94

-14.43

-11.49
13 APPKRPKNRR

3.44

-14.67

-11.23
14 SKPPRPRNRR

3.78

-15.0

-11.22
15 TKPERPRNRR

3.77

-14.55

-10.78
16 APPERPRNRR

3.05

-13.81

-10.76
17 SKPERPHNRR

3.64

-14.12

-10.48
18 APPKRPRNRR

4.64

-15.09

-10.45
19 TKPKRPRNRR

3.95

-14.39

-10.44
20 SKPERPKNRR

4.76

-15.12

-10.36
21 SPPERPKNRR

3.59

-13.83

-10.24
22 AKPPRPRNRR

4.22

-14.45

-10.23
23 APPERPHNRR

3.04

-13.21

-10.17
24 SPPERPRNRR

2.98

-12.96

-9.98
25 SPPERPHNRR

3.54

-13.24

-9.7
26 TPPERPKNRR

3.65

-13.33

-9.68
27 SPPKRPHNRR

3.7

-13.28

-9.58
28 AKPERPHNRR

3.65

-13.03

-9.38
29 TKPPRPRNRR

4.31

-13.5

-9.19
30 SKPKRPRNRR

3.94

-12.87

-8.93

 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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