Predicted ligand sequences


ADAN-name: 1A372.PDB (view again the scoring matrix)

PDB name: [1A37.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R S T s T P N
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 23.906 ΔGbinding -0.010
TOTAL
 23.896
Backbone Hb -0.100 Cis_bond 0.000
Sidechain Hb -1.220 Torsional clash 0.120
Van der Waals -4.550 Backbone clash 0.290
Electrostatics -0.020 Helix dipole 0.000
Solvation Polar 5.770 Water bridges -0.620
Solvation Hyd -5.770 Disulfide 0.000
VdW clashes 0.950 Electrost. Kon 0.040
Entropy sc 2.160 Part.cov.bonds 0.000
Entropy mc

3.240

 ΔGstability

302.650
       

Predicted ligand sequences for template [1A372.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).
 
  1A372.PDB  

(data)
# Predicted Sequences Value Calculate
1 GGGGGGN 0.0
2 GGGGGGL 0.04
3 GGGAGGN 0.22
4 GGGGGGD 0.25
5 GGGAGGL 0.26
6 PGGGGGN 0.43
7 GGGAGGD 0.47
8 PGGGGGL 0.48
9 GGGGGGC 0.49
10 MGGGGGN 0.63
11 PGGAGGN 0.66
12 MGGGGGL 0.67
13 GGGGGGG 0.67
14 PGGGGGD 0.69
15 PGGAGGL 0.7
16 GGGAGGC 0.71
17 MGGAGGN 0.85
18 KGGGGGN 0.87
19 MGGGGGD 0.88
20 GGGAGGG 0.89
21 MGGAGGL 0.89
22 RGGGGGN 0.9
23 KGGGGGL 0.91
24 PGGAGGD 0.91
25 PGGGGGC 0.93
26 RGGGGGL 0.94
27 KGGAGGN 1.09
28 GGGGDGN 1.1
29 MGGAGGD 1.1
30 PGGGGGG 1.11
31 MGGGGGC 1.12
32 RGGAGGN 1.12
33 KGGGGGD 1.12
34 KGGAGGL 1.13
35 GGGGDGL 1.14
36 PGGAGGC 1.15
37 RGGGGGD 1.16
38 RGGAGGL 1.16
39 MGGGGGG 1.3
40 GGGADGN 1.32
41 PGGAGGG 1.33
42 MGGAGGC 1.34
43 KGGAGGD 1.34
44 GGGGDGD 1.35
45 GGGADGL 1.36
46 KGGGGGC 1.36
47 RGGAGGD 1.38
48 RGGGGGC 1.39
49 MGGAGGG 1.52
50 PGGGDGN 1.53
51 KGGGGGG 1.54
52 PGGGDGL 1.57
53 RGGGGGG 1.57
54 GGGADGD 1.57
55 KGGAGGC 1.58
56 GGGGDGC 1.59
57 RGGAGGC 1.61
58 MGGGDGN 1.73
59 PGGADGN 1.75
60 KGGAGGG 1.76
61 GGGGDGG 1.77
62 MGGGDGL 1.77
63 PGGGDGD 1.78
64 RGGAGGG 1.79
65 PGGADGL 1.79
66 GGGADGC 1.81
67 MGGADGN 1.94
68 KGGGDGN 1.96
69 MGGGDGD 1.98
70 MGGADGL 1.99
71 GGGADGG 1.99
72 RGGGDGN 2.0
73 PGGADGD 2.0
74 KGGGDGL 2.01
75 PGGGDGC 2.02
76 RGGGDGL 2.04
77 KGGADGN 2.19
78 PGGGDGG 2.2
79 MGGADGD 2.2
80 MGGGDGC 2.22
81 RGGADGN 2.22
82 KGGGDGD 2.22
83 KGGADGL 2.23
84 PGGADGC 2.24
85 RGGGDGD 2.25
86 RGGADGL 2.26
87 MGGGDGG 2.4
88 PGGADGG 2.42
89 MGGADGC 2.44
90 KGGADGD 2.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GGGGGGN

6.45

-3.17

3.28
2 GGGAGGG

5.63

-1.56

4.07
3 RGGGGGN

6.79

-2.61

4.18
4 GGGGGGL

6.64

-2.15

4.49
5 GGGAGGN

6.57

-2.04

4.53
6 GGGGGGG

6.95

-1.66

5.29
7 PGGGGGN

7.9

-2.32

5.58
8 GGGGDGN

8.3

-2.4

5.9
9 PGGGGGG

8.01

-1.67

6.34
10 MGGAGGN

9.37

-2.87

6.5
11 KGGGGGN

9.34

-2.68

6.66
12 KGGAGGN

9.4

-2.53

6.87
13 PGGAGGN

9.84

-2.86

6.98
14 GGGGGGD

8.99

-1.9

7.09
15 PGGGGGC

9.03

-1.88

7.15
16 PGGGGGL

9.13

-1.97

7.16
17 GGGAGGL

9.05

-1.88

7.17
18 GGGGGGC

8.91

-1.71

7.2
19 KGGGGGL

9.34

-2.11

7.23
20 GGGAGGC

8.95

-1.68

7.27
21 PGGGGGD

9.19

-1.89

7.3
22 MGGGGGD

9.37

-2.06

7.31
23 MGGGGGN

9.77

-2.37

7.4
24 GGGAGGD

9.09

-1.67

7.42
25 RGGGGGL

9.44

-1.98

7.46
26 PGGAGGL

9.35

-1.89

7.46
27 PGGAGGD

9.34

-1.83

7.51
28 MGGAGGD

9.44

-1.85

7.59
29 MGGAGGL

9.41

-1.77

7.64
30 MGGGGGL

10.21

-2.12

8.09

 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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