Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-1.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 10
poly-Ala
A
A
A
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 4.367 ΔGbinding -0.679
TOTAL
 3.688
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.110
Van der Waals -4.962 Backbone clash 0.313
Electrostatics -0.024 Helix dipole 0.000
Solvation Polar 5.723 Water bridges -0.011
Solvation Hyd -7.120 Disulfide 0.000
VdW clashes 3.072 Electrost. Kon -0.008
Entropy sc 0.920 Part.cov.bonds 0.000
Entropy mc

1.896

 ΔGstability

78.353
       

Predicted ligand sequences for model [SDC25_1OV32-1.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).
 
  SDC25_1OV32-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDDERRWDIF 0.0
2 RDEERRWDIF 0.09
3 RDDERWWDIF 0.1
4 RDDEDRWDIF 0.12
5 RDDERRWDIH 0.17
6 RDEERWWDIF 0.19
7 RDEEDRWDIF 0.21
8 RDDEDWWDIF 0.22
9 RDDERRWDRF 0.23
10 RDEERRWDIH 0.26
11 RDDERWWDIH 0.27
12 RDDERRWEIF 0.27
13 RDDEDRWDIH 0.29
14 RDDERRWRIF 0.3
15 RDEERRWDRF 0.31
16 RDEEDWWDIF 0.31
17 RDDERWWDRF 0.33
18 RDSERRWDIF 0.33
19 RDDERMWDIF 0.34
20 RDDEDRWDRF 0.35
21 RDDERRPDIF 0.35
22 RDEERWWDIH 0.36
23 RDEERRWEIF 0.36
24 RDDERWWEIF 0.38
25 RDEEDRWDIH 0.38
26 RDEERRWRIF 0.39
27 RDDEDWWDIH 0.4
28 RDDERRWDRH 0.4
29 RDDERWWRIF 0.4
30 RDDEDRWEIF 0.4
31 RDEERWWDRF 0.42
32 RDDEDRWRIF 0.42
33 RDEERMWDIF 0.43
34 RDEERRPDIF 0.43
35 RDSERWWDIF 0.43
36 RDEEDRWDRF 0.44
37 RDDERRWEIH 0.44
38 RDDEDWWDRF 0.45
39 RDDERWPDIF 0.45
40 RDSEDRWDIF 0.46
41 RDDEDRPDIF 0.47
42 RDDEDMWDIF 0.47
43 RDDERRWRIH 0.47
44 RDEERWWEIF 0.47
45 RDEEDWWDIH 0.48
46 RDEERRWDRH 0.48
47 RDEERWWRIF 0.49
48 RDEEDRWEIF 0.49
49 RDDERWWDRH 0.5
50 RDDERRWERF 0.5
51 RDSERRWDIH 0.5
52 RDDEDWWEIF 0.5
53 RDEEDRWRIF 0.51
54 RDDERMWDIH 0.51
55 RDDEDRWDRH 0.52
56 RDDEDWWRIF 0.52
57 RDDERRPDIH 0.52
58 RDDERRWRRF 0.52
59 RDEERRWEIH 0.53
60 RDEERWPDIF 0.54
61 RDEEDWWDRF 0.54
62 RDDERWWEIH 0.55
63 RDEERRWRIH 0.56
64 RDEEDRPDIF 0.56
65 RDSEDWWDIF 0.56
66 RDEEDMWDIF 0.56
67 RDSERRWDRF 0.56
68 RDDERMWDRF 0.57
69 RDDERRPDRF 0.57
70 RDDEDWPDIF 0.57
71 RDDERWWRIH 0.57
72 RDDEDRWEIH 0.57
73 RDEERWWDRH 0.59
74 RDDEDRWRIH 0.59
75 RDEEDWWEIF 0.59
76 RDEERRWERF 0.59
77 RDEERMWDIH 0.6
78 RDEERRPDIH 0.6
79 RDSERWWDIH 0.6
80 RDDERWWERF 0.6
81 RDEEDWWRIF 0.61
82 RDEEDRWDRH 0.61
83 RDEERRWRRF 0.61
84 RDSERRWEIF 0.61
85 RDDERRPEIF 0.62
86 RDDEDWWDRH 0.62
87 RDDERWPDIH 0.62
88 RDDERWWRRF 0.62
89 RDDEDRWERF 0.62
90 RDDERMWEIF 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RDDERMWDIF

5.91

-5.31

0.6
2 RDDEDRWDRF

5.21

-4.54

0.67
3 RDEERRWDRF

5.07

-4.19

0.88
4 RDDEDRWDIF

5.77

-4.88

0.89
5 RDDERRWDRF

4.97

-4.04

0.93
6 RDDEDWWDIH

6.08

-5.04

1.04
7 RDEERRWEIF

5.53

-4.36

1.17
8 RDDERWWDIH

6.01

-4.68

1.33
9 RDDERRPDIF

5.42

-4.08

1.34
10 RDSERRWDIF

5.92

-4.55

1.37
11 RDEERWWDIF

6.16

-4.74

1.42
12 RDEEDRWDIH

5.44

-4.01

1.43
13 RDEEDRWDIF

6.0

-4.55

1.45
14 RDDEDWWDIF

6.28

-4.76

1.52
15 RDDERRWDIH

6.07

-4.48

1.59
16 RDDERWWEIF

6.25

-4.56

1.69
17 RDDEDRWDIH

6.01

-4.18

1.83
18 RDDERWWRIF

6.44

-4.56

1.88
19 RDDEDRWEIF

6.33

-4.44

1.89
20 RDDERRWRIF

6.27

-4.22

2.05
21 RDDERRWDIF

5.21

-3.16

2.05
22 RDDERWWDRF

5.95

-3.8

2.15
23 RDEERWWDIH

6.01

-3.8

2.21
24 RDDERRWDRH

5.43

-3.14

2.29
25 RDDERWWDIF

5.78

-3.32

2.46
26 RDEERRWDIH

5.82

-3.25

2.57
27 RDDERRWEIF

6.18

-3.45

2.73
28 RDEEDWWDIF

6.68

-3.87

2.81
29 RDEERRWRIF

6.11

-2.69

3.42
30 RDEERRWDIF

7.35

-2.68

4.67

 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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