Predicted ligand sequences


ADAN-name: 1SEM2.PDB (view again the scoring matrix)

PDB name: [1SEM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P P V P P R
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 0.986 ΔGbinding -9.560
TOTAL
 -8.574
Backbone Hb -0.750 Cis_bond 0.000
Sidechain Hb -5.270 Torsional clash 0.020
Van der Waals -7.360 Backbone clash 0.820
Electrostatics -1.890 Helix dipole 0.000
Solvation Polar 7.580 Water bridges -0.230
Solvation Hyd -9.080 Disulfide 0.000
VdW clashes 1.570 Electrost. Kon -0.570
Entropy sc 4.270 Part.cov.bonds 0.000
Entropy mc

2.150

 ΔGstability

-6.520
       

Predicted ligand sequences for template [1SEM2.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).
 
  1SEM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPIRPGR 0.0
2 RPGRPGR 0.01
3 RPTRPGR 0.02
4 RPPRPGR 0.03
5 RPIRPPR 0.06
6 RPGRPPR 0.07
7 RPTRPPR 0.08
8 RPPRPPR 0.09
9 RPIRPHR 0.19
10 RPGRPHR 0.19
11 RPIRPFR 0.2
12 RPTRPHR 0.2
13 MPIRPGR 0.2
14 MPGRPGR 0.2
15 RPPRPHR 0.21
16 RPGRPFR 0.21
17 MPTRPGR 0.21
18 RPTRPFR 0.22
19 MPPRPGR 0.22
20 RPPRPFR 0.23
21 MPIRPPR 0.26
22 MPGRPPR 0.26
23 MPTRPPR 0.27
24 MPPRPPR 0.28
25 MPIRPHR 0.38
26 MPGRPHR 0.39
27 MPTRPHR 0.4
28 RPIMPGR 0.4
29 RPGMPGR 0.4
30 MPIRPFR 0.4
31 MPGRPFR 0.4
32 RPTMPGR 0.41
33 MPPRPHR 0.41
34 MPTRPFR 0.41
35 MPPRPFR 0.42
36 RPPMPGR 0.42
37 RWIRPGR 0.45
38 RWGRPGR 0.45
39 RPIMPPR 0.46
40 RWTRPGR 0.46
41 RPGMPPR 0.46
42 RWPRPGR 0.47
43 RPTMPPR 0.47
44 RPPMPPR 0.48
45 RWGRPPR 0.51
46 RWIRPPR 0.51
47 RWTRPPR 0.52
48 RWPRPPR 0.53
49 RPIMPHR 0.58
50 MPIMPGR 0.59
51 RPGMPHR 0.59
52 RPIMPFR 0.59
53 RPGMPFR 0.6
54 MPGMPGR 0.6
55 RPTMPHR 0.6
56 RPTMPFR 0.61
57 RPPMPHR 0.61
58 MPTMPGR 0.61
59 MPPMPGR 0.62
60 RPPMPFR 0.62
61 RWIRPHR 0.63
62 MWIRPGR 0.64
63 RWGRPHR 0.64
64 RWIRPFR 0.65
65 MPIMPPR 0.65
66 RWTRPHR 0.65
67 MWGRPGR 0.65
68 RWGRPFR 0.65
69 RWPRPHR 0.66
70 MPGMPPR 0.66
71 RWTRPFR 0.66
72 MWTRPGR 0.66
73 MPTMPPR 0.67
74 RWPRPFR 0.67
75 MWPRPGR 0.67
76 MPPMPPR 0.68
77 MWIRPPR 0.7
78 MWGRPPR 0.71
79 MWTRPPR 0.72
80 MWPRPPR 0.73
81 MPGMPHR 0.78
82 MPIMPHR 0.78
83 MPTMPHR 0.79
84 MPIMPFR 0.79
85 MPGMPFR 0.8
86 MPPMPHR 0.8
87 MPTMPFR 0.81
88 MPPMPFR 0.82
89 MWGRPHR 0.83
90 MWIRPHR 0.83
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPPRPPR

1.21

-9.93

-8.72
2 MPIRPPR

0.93

-9.59

-8.66
3 MPGRPHR

1.42

-10.0

-8.58
4 MPGRPGR

1.1

-9.64

-8.54
5 RPIRPPR

1.14

-9.68

-8.54
6 MPIRPGR

0.99

-9.5

-8.51
7 RPPRPFR

1.38

-9.83

-8.45
8 RPGRPPR

1.47

-9.87

-8.4
9 RPTRPGR

1.38

-9.59

-8.21
10 RPPRPGR

1.5

-9.66

-8.16
11 MPPRPPR

1.15

-9.31

-8.16
12 MPTRPPR

1.38

-9.43

-8.05
13 MPPRPGR

1.27

-9.31

-8.04
14 RPGRPFR

1.36

-9.39

-8.03
15 RPIRPHR

1.52

-9.48

-7.96
16 RPTRPPR

1.22

-9.13

-7.91
17 RPTRPHR

1.36

-9.21

-7.85
18 MPTRPGR

1.6

-9.18

-7.58
19 MPTRPHR

1.37

-8.83

-7.46
20 RPPRPHR

1.56

-9.0

-7.44
21 RPIRPFR

1.51

-8.92

-7.41
22 RPGRPHR

1.44

-8.81

-7.37
23 MPIRPFR

1.05

-8.42

-7.37
24 RPTRPFR

1.28

-8.63

-7.35
25 RPIRPGR

1.35

-8.65

-7.3
26 MPIRPHR

1.37

-8.58

-7.21
27 RPGRPGR

1.19

-8.3

-7.11
28 MPGRPPR

1.03

-8.03

-7.0
29 RPIMPGR

1.31

-8.13

-6.82
30 RPGMPGR

1.06

-7.09

-6.03

 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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