Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 1.113 ΔGbinding -1.267
TOTAL
 -0.154
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.322
Van der Waals -2.411 Backbone clash 0.000
Electrostatics -0.154 Helix dipole 0.000
Solvation Polar 2.693 Water bridges 0.000
Solvation Hyd -3.321 Disulfide 0.000
VdW clashes 0.314 Electrost. Kon -0.195
Entropy sc 0.482 Part.cov.bonds 0.000
Entropy mc

2.279

 ΔGstability

34.727
       

Predicted ligand sequences for model [ABP1_1OV32-23.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_1OV32-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRIPMH 0.0
2 RPRIRMH 0.09
3 RRRIPMH 0.11
4 RPRVPMH 0.12
5 TPRIPMH 0.14
6 RRRIRMH 0.2
7 RPRVRMH 0.21
8 RPRIPLH 0.21
9 TPRIRMH 0.23
10 RKRIPMH 0.23
11 RRRVPMH 0.23
12 TRRIPMH 0.25
13 TPRVPMH 0.27
14 RPRIPFH 0.27
15 RPRIRLH 0.3
16 RRRIPLH 0.32
17 RRRVRMH 0.32
18 RKRIRMH 0.32
19 RPRVPLH 0.33
20 RPRIKMH 0.33
21 TRRIRMH 0.34
22 TPRIPLH 0.35
23 RKRVPMH 0.35
24 RPRIRFH 0.35
25 TPRVRMH 0.35
26 TKRIPMH 0.37
27 RPRIPMR 0.37
28 TRRVPMH 0.37
29 RRRIPFH 0.38
30 RPRVPFH 0.39
31 RRRIRLH 0.41
32 TPRIPFH 0.41
33 RPRVRLH 0.42
34 RRRIKMH 0.43
35 RKRVRMH 0.44
36 RRRVPLH 0.44
37 TPRIRLH 0.44
38 RKRIPLH 0.44
39 RPRVKMH 0.45
40 TRRVRMH 0.46
41 RRRIRFH 0.46
42 TKRIRMH 0.46
43 RPRIRMR 0.46
44 TRRIPLH 0.46
45 TPRIKMH 0.47
46 RPRVRFH 0.48
47 TPRVPLH 0.48
48 RRRIPMR 0.48
49 RPRMPMH 0.48
50 TKRVPMH 0.49
51 RKRIPFH 0.5
52 RPRVPMR 0.5
53 TPRIRFH 0.5
54 RRRVPFH 0.5
55 TPRIPMR 0.52
56 TRRIPFH 0.52
57 TPRVPFH 0.53
58 RRRVRLH 0.53
59 RKRIRLH 0.53
60 RPRIKLH 0.54
61 TRRIRLH 0.55
62 RKRIKMH 0.55
63 RKRVPLH 0.56
64 TPRVRLH 0.56
65 RRRVKMH 0.56
66 RPRMRMH 0.57
67 RRRIRMR 0.57
68 TKRIPLH 0.58
69 RPRVRMR 0.58
70 TRRIKMH 0.58
71 RPRIPLR 0.58
72 RKRIRFH 0.58
73 TKRVRMH 0.58
74 TRRVPLH 0.58
75 RPRIKFH 0.59
76 RRRMPMH 0.59
77 RRRVRFH 0.59
78 TPRVKMH 0.59
79 TPRIRMR 0.6
80 RKRIPMR 0.6
81 RRRVPMR 0.6
82 TRRIRFH 0.61
83 TPRVRFH 0.62
84 RKRVPFH 0.62
85 TRRIPMR 0.62
86 TPRMPMH 0.62
87 TRRVPFH 0.64
88 TKRIPFH 0.64
89 RPRIPFR 0.64
90 TPRVPMR 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKRIRMH

2.71

-10.46

-7.75
2 RPRIRFH

2.78

-9.85

-7.07
3 RPRIRMH

2.42

-9.19

-6.77
4 RPRIKMH

2.39

-8.73

-6.34
5 RRRIRMH

2.57

-8.8

-6.23
6 RPRVRMH

2.71

-8.56

-5.85
7 RPRVPMH

2.87

-8.69

-5.82
8 RPRVPFH

2.39

-8.17

-5.78
9 RRRVPMH

2.56

-8.27

-5.71
10 RKRVPMH

2.31

-7.68

-5.37
11 RRRIPMH

3.65

-8.95

-5.3
12 RPRVPLH

2.54

-7.65

-5.11
13 RRRIPFH

3.71

-8.68

-4.97
14 RRRVRMH

1.99

-6.79

-4.8
15 RPRIPMR

4.31

-8.47

-4.16
16 RPRIPFH

3.31

-7.37

-4.06
17 RRRIPLH

3.75

-7.8

-4.05
18 RPRIRLH

3.37

-7.4

-4.03
19 RKRIPMH

3.77

-7.79

-4.02
20 RPRIPLH

3.37

-7.33

-3.96
21 RPRIPMH

2.8

-6.55

-3.75
22 TRRVPMH

2.43

-6.12

-3.69
23 TPRVRMH

2.65

-5.77

-3.12
24 TRRIPMH

3.54

-6.28

-2.74
25 TKRIPMH

2.94

-5.6

-2.66
26 TPRIRMH

2.38

-4.02

-1.64
27 TRRIRMH

4.08

-5.64

-1.56
28 TPRVPMH

2.28

-3.82

-1.54
29 TPRIPMH

2.53

-3.27

-0.74
30 TPRIPLH

2.79

-3.36

-0.57

 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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