Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-17.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala A
A
A
A
 A
G
 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 2.658 ΔGbinding 6.468
TOTAL
 9.126
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.371
Van der Waals -4.648 Backbone clash 0.225
Electrostatics 0.278 Helix dipole 0.000
Solvation Polar 4.794 Water bridges 0.026
Solvation Hyd -6.745 Disulfide 0.000
VdW clashes 8.648 Electrost. Kon 0.289
Entropy sc 0.607 Part.cov.bonds 0.000
Entropy mc

4.123

 ΔGstability

22.208
       

Predicted ligand sequences for model [YSC84_2A08-17.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).
 
  YSC84_2A08-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFMDGRRR 0.0
2 RPFMDGRRR 0.04
3 FPLMDGRRR 0.06
4 FPYMDGRRR 0.08
5 RPLMDGRRR 0.1
6 FPFMDGFRR 0.11
7 RPYMDGRRR 0.12
8 RPFMDGFRR 0.15
9 FPLMDGFRR 0.17
10 FPFRDGRRR 0.18
11 FPFMNGRRR 0.19
12 FPYMDGFRR 0.19
13 RPLMDGFRR 0.21
14 RPFRDGRRR 0.21
15 FPFMDGPRR 0.23
16 RPYMDGFRR 0.23
17 RPFMNGRRR 0.23
18 FPLRDGRRR 0.24
19 FPLMNGRRR 0.25
20 FPYRDGRRR 0.26
21 RPLRDGRRR 0.27
22 FPYMNGRRR 0.27
23 RPFMDGPRR 0.27
24 YPFMDGRRR 0.28
25 FPLMDGPRR 0.29
26 RPYRDGRRR 0.29
27 RPLMNGRRR 0.29
28 FPFRDGFRR 0.29
29 FPFMNGFRR 0.31
30 FPFMMGRRR 0.31
31 FPYMDGPRR 0.31
32 RPYMNGRRR 0.31
33 RPFRDGFRR 0.33
34 RPLMDGPRR 0.33
35 RPFMNGFRR 0.34
36 YPLMDGRRR 0.34
37 RPYMDGPRR 0.35
38 RPFMMGRRR 0.35
39 FPLRDGFRR 0.35
40 YPYMDGRRR 0.36
41 FPLMNGFRR 0.37
42 FPFRNGRRR 0.37
43 FPYRDGFRR 0.37
44 FPLMMGRRR 0.37
45 RPLRDGFRR 0.39
46 YPFMDGFRR 0.39
47 FPYMNGFRR 0.39
48 FPYMMGRRR 0.39
49 RPLMNGFRR 0.4
50 RPLMMGRRR 0.41
51 RPFRNGRRR 0.41
52 RPYRDGFRR 0.41
53 FPFRDGPRR 0.41
54 RPYMNGFRR 0.42
55 FPFMNGPRR 0.42
56 FPFMMGFRR 0.42
57 RPYMMGRRR 0.43
58 FPLRNGRRR 0.43
59 RPFRDGPRR 0.44
60 FPYRNGRRR 0.45
61 YPLMDGFRR 0.45
62 YPFRDGRRR 0.46
63 RPFMNGPRR 0.46
64 RPFMMGFRR 0.46
65 FPLRDGPRR 0.47
66 YPYMDGFRR 0.47
67 RPLRNGRRR 0.47
68 YPFMNGRRR 0.47
69 FPLMNGPRR 0.48
70 FPFRNGFRR 0.48
71 FPLMMGFRR 0.48
72 FPYRDGPRR 0.49
73 FPFRMGRRR 0.49
74 RPYRNGRRR 0.49
75 FPYMNGPRR 0.5
76 RPLRDGPRR 0.5
77 YPFMDGPRR 0.51
78 FPYMMGFRR 0.51
79 RPFRNGFRR 0.52
80 RPLMMGFRR 0.52
81 RPLMNGPRR 0.52
82 YPLRDGRRR 0.52
83 RPYRDGPRR 0.52
84 YPLMNGRRR 0.53
85 RPFRMGRRR 0.53
86 FPFMMGPRR 0.54
87 RPYMMGFRR 0.54
88 RPYMNGPRR 0.54
89 YPYRDGRRR 0.54
90 YPYMNGRRR 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPLMNGRRR

2.28

-8.27

-5.99
2 FPYMNGRRR

2.9

-8.74

-5.84
3 FPFMMGRRR

2.02

-7.61

-5.59
4 FPFMNGFRR

2.65

-8.22

-5.57
5 FPFMDGRRR

1.97

-7.12

-5.15
6 FPFRDGRRR

2.56

-7.54

-4.98
7 FPFMDGPRR

2.41

-7.36

-4.95
8 FPYMDGRRR

2.77

-7.63

-4.86
9 FPLMDGPRR

2.07

-6.88

-4.81
10 FPYMDGFRR

2.18

-6.75

-4.57
11 FPFRDGFRR

2.36

-6.87

-4.51
12 RPLMNGRRR

2.86

-7.19

-4.33
13 FPLRDGRRR

2.6

-6.88

-4.28
14 RPFMNGRRR

2.75

-7.01

-4.26
15 FPFMDGFRR

2.12

-6.33

-4.21
16 FPLMDGFRR

2.16

-6.35

-4.19
17 RPYMDGRRR

2.74

-6.9

-4.16
18 RPFMDGFRR

2.79

-6.94

-4.15
19 RPFRDGRRR

2.68

-6.8

-4.12
20 RPYRDGRRR

2.65

-6.75

-4.1
21 RPFMDGRRR

2.4

-6.41

-4.01
22 RPFMDGPRR

2.39

-6.36

-3.97
23 FPLMDGRRR

3.18

-7.09

-3.91
24 FPFMNGRRR

2.55

-6.43

-3.88
25 YPFMDGRRR

2.59

-6.33

-3.74
26 FPYRDGRRR

2.58

-6.16

-3.58
27 RPYMDGFRR

2.93

-6.31

-3.38
28 RPLMDGFRR

2.33

-5.54

-3.21
29 RPLMDGRRR

2.75

-5.78

-3.03
30 RPLRDGRRR

2.43

-5.15

-2.72

 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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