Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-5.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 3.043 ΔGbinding 3.623
TOTAL
 6.666
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.001
Van der Waals -5.927 Backbone clash 0.162
Electrostatics -0.085 Helix dipole 0.000
Solvation Polar 6.229 Water bridges -0.043
Solvation Hyd -8.803 Disulfide 0.000
VdW clashes 8.787 Electrost. Kon -0.130
Entropy sc 0.861 Part.cov.bonds 0.000
Entropy mc

2.007

 ΔGstability

81.291
       

Predicted ligand sequences for model [SDC25_1OV32-5.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_1OV32-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MDDEDPEDPW 0.0
2 MDDEDPEDLW 0.04
3 MDDEDPPDPW 0.04
4 MDDEDPWDPW 0.05
5 LDDEDPEDPW 0.07
6 YDDEDPEDPW 0.08
7 MDDEDPPDLW 0.08
8 MDDEDPEEPW 0.1
9 MDDEDPWDLW 0.1
10 LDDEDPEDLW 0.12
11 YDDEDPEDLW 0.12
12 YDDEDPPDPW 0.12
13 MDDEDPEDEW 0.12
14 LDDEDPPDPW 0.12
15 YDDEDPWDPW 0.13
16 LDDEDPWDPW 0.13
17 MDDEDPPEPW 0.14
18 MDDEDPEELW 0.14
19 MDDEDPWEPW 0.15
20 YDDEDPPDLW 0.16
21 MDDEDPPDEW 0.16
22 LDDEDPPDLW 0.16
23 MDEEDPEDPW 0.16
24 YDDEDPEEPW 0.17
25 MDDEDPWDEW 0.17
26 YDDEDPWDLW 0.17
27 LDDEDPWDLW 0.17
28 MDDEDPEDPP 0.17
29 LDDEDPEEPW 0.17
30 MDDEDPPELW 0.18
31 MDNEDPEDPW 0.18
32 LDDEDPEDEW 0.19
33 MDDEDPWELW 0.19
34 YDDEDPEDEW 0.19
35 MDDEPPEDPW 0.19
36 MDEEDPPDPW 0.2
37 MDEEDPEDLW 0.2
38 YDDEDPEELW 0.21
39 MDDEDPEDLP 0.21
40 LDDEDPPEPW 0.21
41 LDDEDPEELW 0.21
42 MDDEDPPDPP 0.21
43 MDDEDPEEEW 0.21
44 MDEEDPWDPW 0.21
45 MDDEDPWDPP 0.22
46 YDDEDPPEPW 0.22
47 MDNEDPPDPW 0.22
48 MDNEDPEDLW 0.22
49 LDDEDPWEPW 0.22
50 MDDEPPPDPW 0.23
51 LDDEDPPDEW 0.23
52 MDDEPPEDLW 0.23
53 MDNEDPWDPW 0.23
54 YDDEDPWEPW 0.23
55 YDEEDPEDPW 0.24
56 LDDEDPWDEW 0.24
57 MDDEDPEPPW 0.24
58 MDDEPPWDPW 0.24
59 LDDEDPEDPP 0.24
60 YDDEDPPDEW 0.24
61 LDEEDPEDPW 0.24
62 MDDEDPPEEW 0.25
63 YDDEDPEDPP 0.25
64 LDNEDPEDPW 0.25
65 YDNEDPEDPW 0.25
66 YDDEDPWDEW 0.25
67 MDEEDPPDLW 0.25
68 YDDEDPPELW 0.26
69 MDEEDPEEPW 0.26
70 MDDEDPWEEW 0.26
71 LDDEDPPELW 0.26
72 LDDEPPEDPW 0.26
73 MDDEDPPDLP 0.26
74 MDEEDPWDLW 0.26
75 MDNEDPPDLW 0.26
76 LDDEDPWELW 0.27
77 MDDEDPEEPP 0.27
78 YDDEDPWELW 0.27
79 MDNEDPWDLW 0.27
80 YDDEPPEDPW 0.27
81 MDDEDPWDLP 0.27
82 MDDEPPPDLW 0.27
83 MDNEDPEEPW 0.27
84 MDDEPPWDLW 0.28
85 MDDEPPEEPW 0.28
86 LDEEDPPDPW 0.28
87 MDDEDPEPLW 0.28
88 YDEEDPEDLW 0.28
89 LDEEDPEDLW 0.28
90 MDEEDPEDEW 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MDDEDPPDEW

4.37

-4.01

0.36
2 MDDEDPEDPP

5.14

-4.71

0.43
3 YDDEDPPDLW

5.41

-4.42

0.99
4 YDDEDPPDPW

4.66

-3.17

1.49
5 YDDEDPWDPW

5.28

-3.39

1.89
6 LDDEDPWDPW

4.24

-2.33

1.91
7 LDDEDPPDLW

4.71

-2.78

1.93
8 YDDEDPEDLW

4.5

-2.46

2.04
9 LDDEDPPDPW

4.97

-2.72

2.25
10 MDDEDPEDLW

4.62

-2.37

2.25
11 YDDEDPEDPW

4.99

-2.53

2.46
12 MDDEDPEDEW

4.31

-1.62

2.69
13 MDDEDPEELW

4.45

-1.76

2.69
14 LDDEDPEDLW

4.88

-2.17

2.71
15 LDDEDPEDPW

4.47

-1.71

2.76
16 MDDEDPWDEW

5.87

-2.91

2.96
17 MDDEDPEEPW

4.72

-1.7

3.02
18 MDDEDPPELW

5.24

-2.03

3.21
19 MDDEDPPDLW

6.27

-2.98

3.29
20 YDDEDPEEPW

6.08

-2.68

3.4
21 MDDEDPWDLW

5.39

-1.73

3.66
22 LDDEDPWDLW

5.37

-1.51

3.86
23 YDDEDPWDLW

6.23

-2.09

4.14
24 MDDEDPEDPW

5.68

-1.5

4.18
25 MDDEDPWEPW

5.83

-1.5

4.33
26 LDDEDPEEPW

6.58

-1.97

4.61
27 MDEEDPEDPW

5.73

-0.6

5.13
28 MDDEDPWDPW

5.14

0.31

5.45
29 MDDEDPPDPW

4.56

10.77

15.33
30 MDDEDPPEPW

6.94

13.18

20.12

 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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