Predicted ligand sequences


ADAN-name: 1GY32.PDB (view again the scoring matrix)

PDB name: [1GY3.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT H H A S P R K
position 1 2 3 4 5 6 7
poly-Ala
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 12.657 ΔGbinding -4.500
TOTAL
 8.157
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -4.200 Torsional clash 2.027
Van der Waals -5.863 Backbone clash 0.394
Electrostatics -2.799 Helix dipole 0.021
Solvation Polar 9.646 Water bridges 0.227
Solvation Hyd -7.256 Disulfide 0.000
VdW clashes 1.138 Electrost. Kon -1.356
Entropy sc 2.768 Part.cov.bonds 0.000
Entropy mc

2.035

 ΔGstability

105.781
       

Predicted ligand sequences for template [1GY32.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).
 
  1GY32.PDB  

(data)
# Predicted Sequences Value Calculate
1 WKGRGRQ 0.0
2 WKGRGKQ 0.04
3 WKGRGLQ 0.06
4 WKGRGIQ 0.07
5 WKGRPRQ 0.17
6 WKPRGRQ 0.2
7 WKGRPKQ 0.22
8 WKGRPLQ 0.23
9 WKGRPIQ 0.24
10 WKPRGKQ 0.25
11 WKPRGLQ 0.26
12 WKPRGIQ 0.27
13 WKNRGRQ 0.28
14 WKNRGKQ 0.32
15 WKNRGIQ 0.34
16 WKNRGLQ 0.34
17 WPGRGRQ 0.35
18 WKPRPRQ 0.38
19 WPGRGKQ 0.39
20 WKDRGRQ 0.39
21 WPGRGLQ 0.41
22 WKPRPKQ 0.42
23 WPGRGIQ 0.42
24 WKDRGKQ 0.43
25 WKPRPLQ 0.44
26 WKPRPIQ 0.44
27 WKDRGLQ 0.45
28 WKDRGIQ 0.45
29 WKNRPRQ 0.45
30 HKGRGRQ 0.46
31 WKNRPKQ 0.49
32 HKGRGKQ 0.51
33 WKNRPLQ 0.51
34 WPGRPRQ 0.52
35 WKNRPIQ 0.52
36 HKGRGLQ 0.52
37 HKGRGIQ 0.53
38 WPPRGRQ 0.55
39 WKDRPRQ 0.56
40 WPGRPKQ 0.57
41 WPGRPLQ 0.58
42 WPGRPIQ 0.59
43 WKDRPKQ 0.6
44 WPPRGKQ 0.6
45 WPPRGLQ 0.61
46 WPNRGRQ 0.62
47 WKDRPLQ 0.62
48 WPPRGIQ 0.62
49 WKDRPIQ 0.63
50 HKGRPRQ 0.63
51 HKPRGRQ 0.66
52 WPNRGKQ 0.67
53 HKGRPKQ 0.68
54 WPNRGLQ 0.69
55 WPNRGIQ 0.69
56 HKGRPLQ 0.7
57 HKGRPIQ 0.7
58 HKPRGKQ 0.71
59 HKPRGLQ 0.73
60 WPDRGRQ 0.73
61 WPPRPRQ 0.73
62 HKPRGIQ 0.73
63 HKNRGRQ 0.74
64 WPPRPKQ 0.77
65 WPDRGKQ 0.78
66 HKNRGKQ 0.78
67 WPPRPLQ 0.79
68 WPPRPIQ 0.79
69 HKNRGLQ 0.8
70 WPDRGLQ 0.8
71 WPNRPRQ 0.8
72 WPDRGIQ 0.8
73 HKNRGIQ 0.8
74 HPGRGRQ 0.81
75 HKPRPRQ 0.84
76 WPNRPKQ 0.84
77 HKDRGRQ 0.85
78 HPGRGKQ 0.85
79 WPNRPIQ 0.86
80 WPNRPLQ 0.86
81 HPGRGLQ 0.87
82 HPGRGIQ 0.88
83 HKPRPKQ 0.88
84 HKDRGKQ 0.89
85 HKPRPLQ 0.9
86 HKPRPIQ 0.9
87 HKDRGIQ 0.91
88 HKDRGLQ 0.91
89 WPDRPRQ 0.91
90 HKNRPRQ 0.91
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPGRGKQ

10.14

-10.02

0.12
2 WPGRGIQ

9.44

-8.38

1.06
3 WKGRPLQ

12.2

-10.99

1.21
4 WKNRGKQ

9.84

-8.48

1.36
5 WPGRGRQ

9.63

-8.01

1.62
6 WKDRGRQ

9.75

-8.0

1.75
7 WKDRGKQ

9.61

-7.76

1.85
8 WKGRGLQ

9.79

-7.83

1.96
9 HKGRGRQ

9.71

-7.73

1.98
10 WKPRGLQ

9.63

-7.58

2.05
11 WKNRGRQ

10.05

-7.99

2.06
12 WKNRGLQ

9.79

-7.59

2.2
13 WKGRGIQ

10.14

-7.82

2.32
14 WKGRGKQ

9.61

-7.11

2.5
15 WKDRGLQ

9.95

-7.44

2.51
16 WKPRGRQ

9.78

-7.27

2.51
17 WKPRGIQ

9.79

-7.19

2.6
18 WKDRGIQ

10.7

-8.06

2.64
19 WKPRGKQ

10.34

-7.65

2.69
20 WKGRPIQ

12.91

-10.18

2.73
21 WKPRPRQ

12.6

-9.58

3.02
22 WKPRPIQ

12.43

-9.36

3.07
23 WKGRPRQ

12.78

-9.55

3.23
24 WKGRPKQ

13.49

-10.23

3.26
25 WKGRGRQ

9.64

-6.34

3.3
26 WPGRGLQ

9.61

-6.28

3.33
27 WKNRGIQ

10.6

-7.21

3.39
28 WKNRPRQ

13.14

-9.7

3.44
29 WKPRPKQ

12.47

-8.9

3.57
30 WKPRPLQ

12.36

-8.7

3.66

 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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