Predicted ligand sequences (modelled structure)


ADAN-name: BOI1_1YCS-11.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 3.253 ΔGbinding 2.866
TOTAL
 6.119
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.966
Van der Waals -3.995 Backbone clash 0.091
Electrostatics 0.095 Helix dipole 0.000
Solvation Polar 4.375 Water bridges 0.000
Solvation Hyd -5.824 Disulfide 0.000
VdW clashes 3.699 Electrost. Kon -0.002
Entropy sc 0.574 Part.cov.bonds 0.000
Entropy mc

2.979

 ΔGstability

72.839
       

Predicted ligand sequences for model [BOI1_1YCS-11.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).
 
  BOI1_1YCS-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPIPPN 0.0
2 RRPIPPR 0.0
3 RPPIPPR 0.06
4 RPPIPPN 0.06
5 RRPMPPN 0.09
6 RRPMPPR 0.09
7 RRPIPPH 0.1
8 RRPIPRR 0.12
9 RRPIPRN 0.12
10 RRPIPGR 0.15
11 RRPIPGN 0.15
12 RPPMPPN 0.15
13 RPPMPPR 0.15
14 RPPIPPH 0.16
15 RPPIPRN 0.18
16 RPPIPRR 0.18
17 RRPMPPH 0.19
18 RPPIPGR 0.21
19 RPPIPGN 0.21
20 RRPMPRN 0.21
21 RRPMPRR 0.21
22 RRPIPRH 0.22
23 RRPMPGN 0.24
24 RRPMPGR 0.24
25 RRPIPGH 0.25
26 RPPMPPH 0.25
27 RRFIPPN 0.27
28 RRFIPPR 0.27
29 RPPMPRN 0.27
30 RPPMPRR 0.27
31 RPPIPRH 0.28
32 RRYIPPR 0.3
33 RRYIPPN 0.3
34 RPPMPGR 0.3
35 RPPMPGN 0.3
36 RPPIPGH 0.31
37 RRPMPRH 0.31
38 RPFIPPR 0.33
39 RPFIPPN 0.33
40 RRPMPGH 0.34
41 RRFMPPR 0.36
42 RPYIPPR 0.36
43 RRFMPPN 0.36
44 RPYIPPN 0.36
45 RRFIPPH 0.37
46 RPPMPRH 0.37
47 RRFIPRR 0.39
48 RRFIPRN 0.39
49 RRYMPPN 0.39
50 RRYMPPR 0.39
51 RRYIPPH 0.4
52 RPPMPGH 0.4
53 RPFMPPN 0.42
54 RPFMPPR 0.42
55 RRYIPRN 0.42
56 RRYIPRR 0.42
57 RRFIPGN 0.42
58 RRFIPGR 0.42
59 RPFIPPH 0.43
60 RRYIPGR 0.45
61 RRYIPGN 0.45
62 RPYMPPN 0.45
63 RPFIPRN 0.45
64 RPFIPRR 0.45
65 RPYMPPR 0.45
66 RRFMPPH 0.46
67 RPYIPPH 0.46
68 RPFIPGR 0.48
69 RPFIPGN 0.48
70 RPYIPRR 0.48
71 RPYIPRN 0.48
72 RRFMPRR 0.48
73 RRFMPRN 0.48
74 RRFIPRH 0.49
75 RRYMPPH 0.49
76 RPYIPGR 0.51
77 RPYIPGN 0.51
78 RRFMPGR 0.51
79 RRFMPGN 0.51
80 RRYMPRN 0.51
81 RRYMPRR 0.51
82 RPFMPPH 0.52
83 RRYIPRH 0.52
84 RRFIPGH 0.52
85 RRYMPGR 0.54
86 RPFMPRN 0.54
87 RRYMPGN 0.54
88 RPFMPRR 0.54
89 RRYIPGH 0.55
90 RPYMPPH 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPIPPH

3.99

-6.66

-2.67
2 RRPMPPN

4.1

-6.19

-2.09
3 RPPIPPR

3.98

-5.71

-1.73
4 RRPIPRH

4.48

-6.14

-1.66
5 RRPIPGN

3.81

-5.09

-1.28
6 RPPIPGN

4.04

-5.31

-1.27
7 RPPMPRN

3.91

-5.09

-1.18
8 RPPMPPH

3.85

-4.93

-1.08
9 RPPIPPN

4.19

-5.24

-1.05
10 RRPIPGH

4.36

-5.36

-1.0
11 RPPMPPN

3.95

-4.89

-0.94
12 RRPIPRN

3.82

-4.73

-0.91
13 RRPMPRN

4.08

-4.97

-0.89
14 RPPMPPR

3.78

-4.49

-0.71
15 RRPMPGR

3.88

-4.42

-0.54
16 RPPIPRN

4.14

-4.52

-0.38
17 RRPMPPH

3.93

-4.29

-0.36
18 RRPIPPR

4.26

-4.45

-0.19
19 RPPIPRR

4.43

-4.61

-0.18
20 RRPIPPH

3.97

-4.13

-0.16
21 RRPMPGN

4.31

-4.43

-0.12
22 RRPIPPN

3.86

-3.93

-0.07
23 RPPIPGR

3.57

-3.62

-0.05
24 RRFIPPN

4.35

-4.39

-0.04
25 RPPMPRR

4.33

-4.34

-0.01
26 RRPMPPR

4.16

-4.11

0.05
27 RRPIPRR

5.86

-5.77

0.09
28 RRPMPRR

4.47

-4.19

0.28
29 RRPIPGR

4.32

-3.86

0.46
30 RRFIPPR

4.92

-3.81

1.11

 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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