Predicted ligand sequences


ADAN-name: 1GOT2.PDB (view again the scoring matrix)

PDB name: [1GOT.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q R S E R K K W I H C F E G V T
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala
A
A
A
 A A A A A
A
 A
A
A
 A
G
 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 7.565 ΔGbinding -14.901
TOTAL
 -7.336
Backbone Hb -2.800 Cis_bond 0.000
Sidechain Hb -7.750 Torsional clash 0.262
Van der Waals -10.204 Backbone clash 0.674
Electrostatics -6.227 Helix dipole 0.000
Solvation Polar 17.618 Water bridges -0.686
Solvation Hyd -12.616 Disulfide 0.000
VdW clashes 0.644 Electrost. Kon -3.377
Entropy sc 6.311 Part.cov.bonds 0.000
Entropy mc

3.925

 ΔGstability

59.638
       

Predicted ligand sequences for template [1GOT2.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).
 
  1GOT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 QRRRRPKFRRNWMGLP 0.0
2 QRRYRPKFRRNWMGLP 0.0
3 QRRRRPKFRRNWMGLs 0.04
4 QRRYRPKFRRNWMGLs 0.04
5 QRRRRPKFRRNWMGLM 0.05
6 QRRYRPKFRRNWMGMP 0.05
7 QRRRRPKFRRNWMGMP 0.05
8 QRRYRPKFRRNWMGLM 0.06
9 QRRRRPKFRRNWKGLP 0.06
10 QRRYRPKFRRNWKGLP 0.06
11 QRRRRPKFRRNWWGLP 0.09
12 QRRYRPKFRRNWMGMs 0.09
13 QRRRRPKFRRNWMGMs 0.09
14 QRRYRPKFRRNWWGLP 0.09
15 QRRRRPKFRRNWKGMP 0.1
16 QRRRRPKFRRNWMGMM 0.1
17 QRRRRPKFRRNWKGLs 0.1
18 QRRYRPKFRRNWKGLs 0.1
19 QRRRRPSFRRNWMGLP 0.11
20 QRRYRPKFRRNWMGMM 0.11
21 QRRYRPKFRRNWKGMP 0.11
22 QRRYRPKFRRNWKGLM 0.11
23 QRRRRPKFRRNWKGLM 0.11
24 QRRYRPSFRRNWMGLP 0.12
25 QRRRRPKFRKNWMGLP 0.13
26 QRRYRPKFRRNWWGLs 0.13
27 QRRRRPKFRRNWWGLs 0.13
28 QRRRRPKWRRNWMGLP 0.13
29 QRRYRPKWRRNWMGLP 0.13
30 QRRYRPKFRKNWMGLP 0.13
31 QRRRRPKFRRNWWGLM 0.14
32 QRRRRPKFRRNWKGMs 0.14
33 QRRRRPHFRRNWMGLP 0.14
34 QRRRRPKFRRNWWGMP 0.14
35 QRRYRPKFRRNWWGMP 0.14
36 QRRYRPKFRRNWWGLM 0.15
37 QRRYRPHFRRNWMGLP 0.15
38 QRRYRPKFRRNWKGMs 0.15
39 QRRRRPSFRRNWMGLs 0.15
40 QRRRRPKFRRNWKGMM 0.16
41 QRRYRPKFRRNWKGMM 0.16
42 QRRRRPSFRRNWMGMP 0.16
43 QRRYRPSFRRNWMGMP 0.16
44 QRRYRPSFRRNWMGLs 0.16
45 QRRRRPSFRRNWMGLM 0.17
46 QRRRRPKFRKNWMGLs 0.17
47 QRRYRPSFRRNWKGLP 0.17
48 QRRRRPKWRRNWMGLs 0.17
49 QRRRRPKFRRNWMGWP 0.17
50 QRRYRPKWRRNWMGLs 0.17
51 QRRYRPKFRKNWMGLs 0.17
52 QRRRRPSFRRNWKGLP 0.17
53 QRRYRPSFRRNWMGLM 0.17
54 QRRRRPKWRRNWMGMP 0.17
55 QRRRRPKFRKNWMGLM 0.18
56 QRRRRPKWRRNWMGLM 0.18
57 QRRYRPKFRRNWMGWP 0.18
58 QRRYRPKWRRNWMGLM 0.18
59 QRRRRPKWRRNWKGLP 0.18
60 QRRRRPKFRRNWWGMs 0.18
61 QRRYRPKWRRNWKGLP 0.18
62 QRRRRPKFRKNWMGMP 0.18
63 QRRYRPKFRRNWWGMs 0.18
64 QRRYRPKWRRNWMGMP 0.18
65 QRRRRPKFRKNWKGLP 0.18
66 QRRYRPKFRKNWMGMP 0.18
67 QRRYRPKFRRNWWGMM 0.19
68 QRRRRPKFRINWMGLP 0.19
69 QRRRRPHFRRNWMGLs 0.19
70 QRRYRPHFRRNWMGLs 0.19
71 QRRYRPKFRKNWKGLP 0.19
72 QRRRRPKFRRNWWGMM 0.19
73 QRRYRPKFRKNWMGLM 0.19
74 QRRRRPHFRRNWMGMP 0.19
75 QRRYRPHFRRNWKGLP 0.2
76 QRRRRPHFRRNWMGLM 0.2
77 QRRYRPHFRRNWMGLM 0.2
78 QRRRRPSFRRNWMGMs 0.2
79 QRRYRPSFRRNWMGMs 0.2
80 QRRRRPSFRRNWWGLP 0.2
81 QRRRRPHFRRNWKGLP 0.2
82 QRRYRPKFRINWMGLP 0.2
83 QRRYRPHFRRNWMGMP 0.2
84 QRRYPPKFRRNWMGLP 0.21
85 QRRRRPKWRRNWWGLP 0.21
86 QRRYRPSFRRNWKGLs 0.21
87 QRRRRPKFRRNWMGWs 0.21
88 QRRRRPSFRRNWMGMM 0.21
89 QRRRPPKFRRNWMGLP 0.21
90 QRRRRPSFRRNWKGLs 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 QRRRRPKFRRNWKGLs

10.56

-21.03

-10.47
2 QRRYRPKFRKNWMGLP

9.47

-18.45

-8.98
3 QRRRRPKFRRNWWGLP

10.64

-19.06

-8.42
4 QRRRRPSFRRNWMGLP

10.38

-15.79

-5.41
5 QRRRRPKFRRNWMGLs

13.55

-18.08

-4.53
6 QRRRRPKFRRNWMGLM

11.57

-12.72

-1.15
7 QRRRRPKFRRNWWGLs

13.9

-14.5

-0.6
8 QRRRRPKFRRNWMGMM

15.03

-14.97

0.06
9 QRRYRPKFRRNWWGLP

13.56

-12.94

0.62
10 QRRYRPKFRRNWKGMP

11.97

-11.34

0.63
11 QRRRRPKFRRNWKGLM

15.01

-14.31

0.7
12 QRRYRPKFRRNWMGLP

21.14

-19.8

1.34
13 QRRYRPKFRRNWMGMP

20.15

-18.66

1.49
14 QRRYRPKFRRNWMGMs

19.21

-17.71

1.5
15 QRRRRPKFRKNWMGLP

20.13

-18.13

2.0
16 QRRYRPSFRRNWMGLP

13.02

-10.98

2.04
17 QRRRRPKFRRNWMGLP

19.45

-16.66

2.79
18 QRRRRPKFRRNWMGMP

21.26

-18.25

3.01
19 QRRYRPKFRRNWWGLs

18.99

-15.39

3.6
20 QRRYRPKFRRNWMGMM

19.42

-15.36

4.06
21 QRRYRPKWRRNWMGLP

17.87

-13.18

4.69
22 QRRYRPKFRRNWKGLM

20.68

-15.96

4.72
23 QRRYRPKFRRNWKGLs

20.65

-15.5

5.15
24 QRRYRPKFRRNWMGLs

18.63

-13.13

5.5
25 QRRRRPKFRRNWKGLP

17.81

-12.26

5.55
26 QRRYRPKFRRNWMGLM

21.23

-15.57

5.66
27 QRRRRPKFRRNWKGMP

20.37

-13.42

6.95
28 QRRRRPKFRRNWMGMs

23.81

-16.13

7.68
29 QRRYRPKFRRNWKGLP

18.61

-9.65

8.96
30 QRRRRPKWRRNWMGLP

21.24

-5.55

15.69

 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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