Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-19.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
poly-Ala A
A
A
A
A
G
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 3.081 ΔGbinding 5.315
TOTAL
 8.396
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.671
Van der Waals -5.653 Backbone clash 0.024
Electrostatics 0.357 Helix dipole 0.000
Solvation Polar 6.126 Water bridges -0.002
Solvation Hyd -7.978 Disulfide 0.000
VdW clashes 5.399 Electrost. Kon 0.214
Entropy sc 0.754 Part.cov.bonds 0.000
Entropy mc

5.428

 ΔGstability

45.227
       

Predicted ligand sequences for model [ABP1_1OV32-19.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).
 
  ABP1_1OV32-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRKKHGWSF 0.0
2 MRRKHGWSF 0.07
3 MRKKHGKSF 0.2
4 MRFKHGWSF 0.26
5 MRRKHGKSF 0.27
6 MRWKHGWSF 0.28
7 MRKKHGWKF 0.34
8 MRYKHGWSF 0.4
9 MRRKHGWKF 0.41
10 MRFKHGKSF 0.45
11 MRWKHGKSF 0.48
12 MRKKHGWFF 0.49
13 MRKKHGKKF 0.54
14 MRRKHGWFF 0.56
15 MRFKHGWKF 0.59
16 MRYKHGKSF 0.59
17 MRRKHGKKF 0.6
18 MRWKHGWKF 0.62
19 MRKKHGKFF 0.69
20 MRYKHGWKF 0.74
21 MRFKHGWFF 0.74
22 MRRKHGKFF 0.76
23 MRWKHGWFF 0.77
24 MRFKHGKKF 0.79
25 MPKKHGWSF 0.81
26 MRWKHGKKF 0.82
27 MPRKHGWSF 0.88
28 MRYKHGWFF 0.89
29 LRKKHGWSF 0.89
30 KRKKHGWSF 0.9
31 MRYKHGKKF 0.93
32 MRFKHGKFF 0.94
33 LRRKHGWSF 0.96
34 KRRKHGWSF 0.97
35 MRWKHGKFF 0.97
36 MPKKHGKSF 1.0
37 MPFKHGWSF 1.06
38 MPRKHGKSF 1.07
39 MRYKHGKFF 1.08
40 LRKKHGKSF 1.09
41 MPWKHGWSF 1.09
42 KRKKHGKSF 1.1
43 LRFKHGWSF 1.15
44 MPKKHGWKF 1.15
45 LRRKHGKSF 1.16
46 KRFKHGWSF 1.16
47 KRRKHGKSF 1.17
48 LRWKHGWSF 1.18
49 KRWKHGWSF 1.19
50 MPYKHGWSF 1.2
51 MPRKHGWKF 1.22
52 LRKKHGWKF 1.23
53 KRKKHGWKF 1.24
54 MPFKHGKSF 1.26
55 MPWKHGKSF 1.29
56 LRYKHGWSF 1.29
57 LRRKHGWKF 1.3
58 MPKKHGWFF 1.3
59 KRYKHGWSF 1.3
60 KRRKHGWKF 1.31
61 MPKKHGKKF 1.34
62 LRFKHGKSF 1.34
63 KRFKHGKSF 1.35
64 MPRKHGWFF 1.36
65 LRWKHGKSF 1.37
66 LRKKHGWFF 1.38
67 KRWKHGKSF 1.38
68 KRKKHGWFF 1.39
69 MPYKHGKSF 1.4
70 MPFKHGWKF 1.4
71 MPRKHGKKF 1.41
72 MPWKHGWKF 1.43
73 LRKKHGKKF 1.43
74 KRKKHGKKF 1.44
75 LRRKHGWFF 1.45
76 KRRKHGWFF 1.46
77 MPKKHGKFF 1.49
78 LRYKHGKSF 1.49
79 KRYKHGKSF 1.49
80 LRFKHGWKF 1.49
81 LRRKHGKKF 1.5
82 KRFKHGWKF 1.5
83 KRRKHGKKF 1.51
84 LRWKHGWKF 1.52
85 KRWKHGWKF 1.53
86 MPYKHGWKF 1.54
87 MPFKHGWFF 1.55
88 MPRKHGKFF 1.56
89 MPWKHGWFF 1.58
90 LRKKHGKFF 1.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRFKHGKSF

4.01

-6.4

-2.39
2 MRYKHGWSF

3.81

-6.14

-2.33
3 MRYKHGKSF

3.99

-5.86

-1.87
4 KRKKHGWSF

4.05

-5.88

-1.83
5 MRWKHGWSF

4.18

-5.91

-1.73
6 MRFKHGKKF

4.25

-5.75

-1.5
7 MRWKHGKKF

4.41

-5.65

-1.24
8 MRYKHGWKF

3.95

-5.16

-1.21
9 MRWKHGKSF

4.41

-5.2

-0.79
10 MRWKHGWKF

4.27

-5.0

-0.73
11 MRKKHGWSF

4.59

-5.31

-0.72
12 MRFKHGWSF

3.9

-4.58

-0.68
13 MRRKHGKKF

4.2

-4.88

-0.68
14 MRKKHGKKF

4.2

-4.85

-0.65
15 MRRKHGWSF

4.26

-4.87

-0.61
16 LRKKHGWSF

4.63

-5.08

-0.45
17 MRKKHGWFF

3.82

-4.16

-0.34
18 MRRKHGKSF

5.27

-5.56

-0.29
19 MRFKHGWFF

4.42

-4.67

-0.25
20 MRRKHGWKF

4.62

-4.87

-0.25
21 MRKKHGWKF

4.24

-4.48

-0.24
22 MRKKHGKSF

4.08

-4.25

-0.17
23 MRRKHGKFF

4.26

-4.37

-0.11
24 MRYKHGWFF

3.99

-4.0

-0.01
25 MRKKHGKFF

4.8

-4.7

0.1
26 MPRKHGWSF

4.26

-4.15

0.11
27 MRWKHGWFF

3.85

-3.7

0.15
28 MRRKHGWFF

4.47

-3.85

0.62
29 MRFKHGWKF

4.48

-3.65

0.83
30 MPKKHGWSF

4.23

-3.06

1.17

 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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