Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 1.137 ΔGbinding 0.201
TOTAL
 1.338
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.337
Van der Waals -3.786 Backbone clash 0.059
Electrostatics -0.006 Helix dipole 0.000
Solvation Polar 3.837 Water bridges -0.025
Solvation Hyd -5.365 Disulfide 0.000
VdW clashes 2.715 Electrost. Kon -0.026
Entropy sc 0.556 Part.cov.bonds 0.000
Entropy mc

3.240

 ΔGstability

76.590
       

Predicted ligand sequences for model [SDC25_1OV32-9.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_1OV32-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRPIRDFI 0.0
2 MRWIRDFI 0.01
3 MREIRDFI 0.02
4 MRPIRPFI 0.03
5 MRWIRPFI 0.04
6 MRPIREFI 0.05
7 MRWIREFI 0.06
8 MREIRPFI 0.06
9 MRFIRDFI 0.07
10 MREIREFI 0.07
11 MRFIRPFI 0.1
12 MRFIREFI 0.11
13 MRPIRFFI 0.11
14 MRWIRFFI 0.12
15 MREIRFFI 0.13
16 MRPIRDFW 0.15
17 MRPIRDFC 0.16
18 MRWIRDFW 0.16
19 MREIRDFW 0.17
20 MRWIRDFC 0.17
21 MRFIRFFI 0.18
22 MRPIRDFD 0.18
23 MREIRDFC 0.18
24 MRPIRPFW 0.18
25 MRPIRPFC 0.19
26 MRWIRPFW 0.19
27 MRPIREFW 0.2
28 MRWIRDFD 0.2
29 MRFIRDFW 0.21
30 MRPIREFC 0.21
31 MRWIREFW 0.21
32 MREIRPFW 0.21
33 MRWIRPFC 0.21
34 MREIRDFD 0.21
35 MRWIREFC 0.22
36 MREIRPFC 0.22
37 MRPIRPFD 0.22
38 MREIREFW 0.22
39 MRFIRDFC 0.23
40 MRPIREFD 0.23
41 MREIREFC 0.23
42 MRWIRPFD 0.23
43 MRWIREFD 0.24
44 MREIRPFD 0.24
45 MRFIRDFD 0.25
46 MRFIRPFW 0.25
47 MRPIRFFW 0.26
48 MRFIREFW 0.26
49 MREIREFD 0.26
50 MRFIRPFC 0.26
51 MRFIREFC 0.27
52 MRPIRFFC 0.27
53 MRWIRFFW 0.27
54 MREIRFFW 0.28
55 MRFIRPFD 0.28
56 MRWIRFFC 0.28
57 MRPIRFFD 0.29
58 MRFIREFD 0.3
59 MREIRFFC 0.3
60 MRWIRFFD 0.31
61 MRFIRFFW 0.32
62 MREIRFFD 0.32
63 MRFIRFFC 0.34
64 MRFIRFFD 0.36
65 WRPIRDFI 0.43
66 WRWIRDFI 0.44
67 WREIRDFI 0.45
68 WRPIRPFI 0.46
69 WRWIRPFI 0.47
70 WRPIREFI 0.47
71 WREIRPFI 0.48
72 WRFIRDFI 0.49
73 WRWIREFI 0.49
74 WREIREFI 0.5
75 WRFIRPFI 0.53
76 WRFIREFI 0.54
77 WRPIRFFI 0.54
78 WRWIRFFI 0.55
79 WREIRFFI 0.56
80 WRPIRDFW 0.58
81 WRWIRDFW 0.59
82 WRPIRDFC 0.59
83 WRFIRFFI 0.6
84 WREIRDFW 0.6
85 WRWIRDFC 0.6
86 WREIRDFC 0.61
87 WRPIRPFW 0.61
88 WRPIRDFD 0.61
89 WRWIRDFD 0.62
90 WRWIRPFW 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MRPIRPFI

3.21

-6.78

-3.57
2 MRPIREFW

3.22

-6.56

-3.34
3 MREIRPFI

3.46

-6.78

-3.32
4 MRPIRDFD

3.21

-6.48

-3.27
5 MREIRDFC

3.3

-6.47

-3.17
6 MRFIREFI

3.2

-6.16

-2.96
7 MRPIRDFC

3.38

-6.33

-2.95
8 MREIRDFI

3.62

-6.54

-2.92
9 MRFIRDFW

3.42

-6.34

-2.92
10 MRPIREFC

3.42

-6.32

-2.9
11 MREIRDFW

3.42

-6.22

-2.8
12 MRPIRPFW

2.18

-4.92

-2.74
13 MRFIRPFI

3.56

-6.17

-2.61
14 MRPIRFFI

3.47

-6.07

-2.6
15 MRWIRDFW

3.4

-5.97

-2.57
16 MRWIRDFC

3.39

-5.91

-2.52
17 MRWIREFI

3.19

-5.57

-2.38
18 MRWIRPFW

3.7

-6.08

-2.38
19 MRPIREFI

2.37

-4.69

-2.32
20 MRFIRFFI

3.46

-5.71

-2.25
21 MRPIRPFC

3.53

-5.77

-2.24
22 MRWIRFFI

3.38

-5.61

-2.23
23 MRPIRDFW

4.31

-6.42

-2.11
24 MREIRFFI

2.77

-4.61

-1.84
25 MRWIRDFI

4.43

-6.17

-1.74
26 MRWIRPFI

4.53

-6.07

-1.54
27 MRFIRDFI

4.42

-5.9

-1.48
28 MRWIRDFD

4.51

-5.78

-1.27
29 MREIREFI

4.69

-5.86

-1.17
30 MRPIRDFI

4.68

-5.66

-0.98

 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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