Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1OV32-29.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 3.633 ΔGbinding -0.919
TOTAL
 2.714
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.513
Van der Waals -3.984 Backbone clash -0.000
Electrostatics -0.032 Helix dipole 0.000
Solvation Polar 4.043 Water bridges 0.000
Solvation Hyd -5.782 Disulfide 0.000
VdW clashes 1.485 Electrost. Kon -0.044
Entropy sc 0.462 Part.cov.bonds 0.000
Entropy mc

2.419

 ΔGstability

73.972
       

Predicted ligand sequences for model [SDC25_1OV32-29.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_1OV32-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DQKEFMEDMD 0.0
2 DQKEFMEDMK 0.01
3 DQKPFMEDMD 0.01
4 DQKEFMEEMD 0.02
5 DQKPFMEDMK 0.03
6 DQKPFMEEMD 0.04
7 DQKEFMEEMK 0.04
8 DQKPFMEEMK 0.05
9 DQKEFMEDID 0.06
10 DQKEFMEDIK 0.07
11 DQKPFMEDID 0.07
12 DQKPFMEDIK 0.08
13 DQKEFMEEID 0.08
14 DQKEFMEDMH 0.09
15 DQKPFMEEID 0.09
16 DQKEFMEEIK 0.09
17 EQKEFMEDMD 0.09
18 EQKPFMEDMD 0.1
19 DQKPFMEDMH 0.1
20 EQKEFMEDMK 0.1
21 EQKEFMEEMD 0.11
22 DQKPFMEEIK 0.11
23 EQKPFMEDMK 0.11
24 DQKEFMEEMH 0.11
25 EQKEFMEEMK 0.12
26 DQKPFMEEMH 0.12
27 EQKPFMEEMD 0.12
28 DQKEFMEDDD 0.13
29 EQKPFMEEMK 0.13
30 DQKPFMEDDD 0.14
31 DQKEFMEDIH 0.14
32 DQKEFMEDDK 0.14
33 EQKEFMEDID 0.14
34 DQKEFMEEDD 0.15
35 DQKMFMEDMD 0.15
36 DQKPFMEDDK 0.16
37 EQKPFMEDID 0.16
38 DQKPFMEDIH 0.16
39 DQKMFMEDMK 0.16
40 EQKEFMEDIK 0.16
41 KQKEFMEDMD 0.17
42 DQKPFMEEDD 0.17
43 DQKEFMEEDK 0.17
44 EQKEFMEEID 0.17
45 EQKPFMEDIK 0.17
46 DQKEFMEEIH 0.17
47 DQKMFMEEMD 0.17
48 EQKEFMEDMH 0.17
49 KQKEFMEDMK 0.18
50 DQKPFMEEDK 0.18
51 EQKEFMEEIK 0.18
52 DQKPFMEEIH 0.18
53 EQKPFMEDMH 0.18
54 DQKMFMEEMK 0.18
55 EQKPFMEEID 0.18
56 KQKPFMEDMD 0.18
57 EQKEFMEEMH 0.19
58 DMKEFMEDMD 0.19
59 DIKEFMEDMD 0.19
60 KQKEFMEEMD 0.19
61 EQKPFMEEIK 0.19
62 DMKPFMEDMD 0.2
63 DMKEFMEDMK 0.2
64 DQKMFMEDID 0.2
65 KQKPFMEDMK 0.2
66 KQKPFMEEMD 0.21
67 DMKEFMEEMD 0.21
68 KQKEFMEEMK 0.21
69 DIKEFMEDMK 0.21
70 DMKPFMEDMK 0.21
71 DIKPFMEDMD 0.21
72 EQKPFMEEMH 0.21
73 KQKPFMEEMK 0.22
74 DMKEFMEEMK 0.22
75 DIKEFMEEMD 0.22
76 EQKEFMEDDD 0.22
77 DQKEFMEDDH 0.22
78 DIKPFMEDMK 0.22
79 DQKMFMEDIK 0.22
80 DMKPFMEEMD 0.23
81 DIKEFMEEMK 0.23
82 DQKEFMPDMD 0.23
83 EQKPFMEDDD 0.23
84 DQKPFMEDDH 0.23
85 EQKEFMEDDK 0.23
86 EQKMFMEDMD 0.23
87 DIKPFMEEMD 0.23
88 DQKMFMEDMH 0.23
89 EQKEFMEDIH 0.23
90 DQKMFMEEID 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EQKEFMEDMK

3.66

-11.06

-7.4
2 EQKPFMEDMK

4.52

-11.62

-7.1
3 DQKPFMEDMD

4.5

-11.41

-6.91
4 DQKPFMEDMK

4.38

-11.21

-6.83
5 EQKEFMEDMD

4.4

-11.19

-6.79
6 DQKEFMEEMH

4.78

-11.55

-6.77
7 DQKPFMEDMH

4.42

-11.01

-6.59
8 EQKPFMEDMD

4.42

-10.95

-6.53
9 EQKEFMEEMD

4.92

-11.42

-6.5
10 DQKPFMEEMD

4.78

-11.28

-6.5
11 EQKPFMEEMK

4.83

-11.31

-6.48
12 EQKEFMEEMK

4.12

-10.52

-6.4
13 DQKEFMEDMH

5.02

-11.32

-6.3
14 EQKPFMEEMD

4.81

-11.04

-6.23
15 DQKEFMEEMD

4.82

-10.96

-6.14
16 DQKEFMEDDD

4.48

-10.49

-6.01
17 DQKEFMEDMK

4.95

-10.93

-5.98
18 DQKEFMEEMK

5.02

-10.81

-5.79
19 DQKPFMEEMH

4.85

-10.63

-5.78
20 DQKPFMEEMK

4.77

-10.37

-5.6
21 DQKPFMEDDD

4.45

-9.75

-5.3
22 DQKEFMEDMD

4.94

-9.59

-4.65
23 DQKEFMEDID

4.56

-9.13

-4.57
24 DQKPFMEDID

4.4

-8.91

-4.51
25 DQKEFMEEID

4.78

-9.28

-4.5
26 DQKEFMEEIK

4.77

-9.05

-4.28
27 DQKPFMEEIK

4.48

-8.48

-4.0
28 DQKEFMEDIK

4.55

-8.38

-3.83
29 DQKPFMEDIK

5.7

-9.13

-3.43
30 DQKPFMEEID

4.76

-8.19

-3.43

 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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