Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_2A08-29.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 0.890 ΔGbinding -1.064
TOTAL
 -0.174
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.401
Van der Waals -3.552 Backbone clash 0.033
Electrostatics 0.151 Helix dipole 0.000
Solvation Polar 3.550 Water bridges 0.005
Solvation Hyd -4.892 Disulfide 0.000
VdW clashes 0.237 Electrost. Kon 0.180
Entropy sc 0.323 Part.cov.bonds 0.000
Entropy mc

2.532

 ΔGstability

12.573
       

Predicted ligand sequences for model [LSB3_2A08-29.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).
 
  LSB3_2A08-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 DRPPIFRRRY 0.0
2 DRPPIFPRRY 0.01
3 ERPPIFRRRY 0.01
4 ERPPIFPRRY 0.02
5 RRPPIFRRRY 0.04
6 RRPPIFPRRY 0.06
7 DRPPIFKRRY 0.06
8 ERPPIFKRRY 0.07
9 RRPPIFKRRY 0.11
10 DRPWIFRRRY 0.13
11 DRPPMFRRRY 0.14
12 ERPWIFRRRY 0.14
13 DRPWIFPRRY 0.14
14 ERPWIFPRRY 0.15
15 ERPPMFRRRY 0.15
16 ERPPMFPRRY 0.16
17 DRPPMFPRRY 0.16
18 RRPWIFRRRY 0.17
19 DEPPIFRRRY 0.18
20 RRPPMFRRRY 0.18
21 RRPWIFPRRY 0.18
22 EEPPIFRRRY 0.19
23 DRPWIFKRRY 0.19
24 ERPWIFKRRY 0.2
25 DEPPIFPRRY 0.2
26 RRPPMFPRRY 0.2
27 DRPPMFKRRY 0.21
28 EEPPIFPRRY 0.21
29 ERPPMFKRRY 0.21
30 DRPMIFRRRY 0.21
31 DRPMIFPRRY 0.22
32 ERPMIFRRRY 0.22
33 ERPMIFPRRY 0.23
34 REPPIFRRRY 0.23
35 RRPWIFKRRY 0.23
36 DNPPIFRRRY 0.24
37 REPPIFPRRY 0.24
38 RRPPMFKRRY 0.25
39 ENPPIFRRRY 0.25
40 DEPPIFKRRY 0.25
41 RRPMIFRRRY 0.25
42 DNPPIFPRRY 0.26
43 EEPPIFKRRY 0.26
44 ENPPIFPRRY 0.26
45 RRPMIFPRRY 0.27
46 DRPWMFRRRY 0.27
47 DRPMIFKRRY 0.27
48 ERPWMFRRRY 0.28
49 ERPPRFRRRY 0.28
50 ERPMIFKRRY 0.28
51 RNPPIFRRRY 0.28
52 DRPPRFRRRY 0.28
53 DRPWMFPRRY 0.28
54 DRPPRFPRRY 0.29
55 REPPIFKRRY 0.29
56 ERPWMFPRRY 0.29
57 DNPPIFKRRY 0.3
58 RNPPIFPRRY 0.3
59 ERPPRFPRRY 0.3
60 DEPWIFRRRY 0.31
61 ENPPIFKRRY 0.31
62 RRPWMFRRRY 0.31
63 EEPWIFRRRY 0.32
64 DEPPMFRRRY 0.32
65 RRPMIFKRRY 0.32
66 RRPPRFRRRY 0.32
67 DEPWIFPRRY 0.33
68 RRPWMFPRRY 0.33
69 RRPPRFPRRY 0.33
70 DRPWMFKRRY 0.33
71 EEPPMFRRRY 0.33
72 EEPWIFPRRY 0.33
73 ERPWMFKRRY 0.34
74 DRPPRFKRRY 0.34
75 DEPPMFPRRY 0.34
76 DRPPIFRRRK 0.34
77 EEPPMFPRRY 0.35
78 DRPPIFPRRK 0.35
79 ERPPRFKRRY 0.35
80 ERPPIFRRRK 0.35
81 DRPMMFRRRY 0.35
82 REPWIFRRRY 0.35
83 RNPPIFKRRY 0.35
84 ERPPIFPRRK 0.36
85 ERPMMFRRRY 0.36
86 DEPWIFKRRY 0.37
87 DRLPIFRRRY 0.37
88 DNPWIFRRRY 0.37
89 ERPMMFPRRY 0.37
90 REPPMFRRRY 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRPPIFKRRY

2.0

-14.55

-12.55
2 ERPPMFPRRY

2.02

-14.4

-12.38
3 DRPWIFPRRY

2.23

-14.57

-12.34
4 RRPPIFRRRY

2.12

-14.18

-12.06
5 ERPWIFPRRY

2.0

-13.84

-11.84
6 RRPPMFRRRY

2.21

-14.02

-11.81
7 DRPPMFPRRY

1.71

-13.27

-11.56
8 EEPPIFPRRY

1.66

-13.21

-11.55
9 DRPWIFKRRY

2.39

-13.87

-11.48
10 DRPPIFPRRY

1.74

-13.16

-11.42
11 EEPPIFRRRY

1.84

-13.22

-11.38
12 ERPPMFKRRY

2.13

-13.48

-11.35
13 RRPPIFPRRY

1.63

-12.93

-11.3
14 ERPPIFPRRY

1.99

-13.26

-11.27
15 DRPPMFRRRY

2.38

-13.6

-11.22
16 ERPPMFRRRY

2.24

-13.34

-11.1
17 DRPPIFRRRY

1.92

-13.02

-11.1
18 RRPPMFPRRY

1.8

-12.86

-11.06
19 RRPWIFRRRY

1.89

-12.93

-11.04
20 ERPPIFKRRY

3.26

-14.26

-11.0
21 ERPWIFRRRY

1.75

-12.66

-10.91
22 ERPPIFRRRY

1.79

-12.63

-10.84
23 DRPPMFKRRY

2.12

-12.95

-10.83
24 DEPPIFRRRY

1.83

-12.61

-10.78
25 RRPPIFKRRY

1.87

-12.64

-10.77
26 RRPWIFPRRY

1.99

-12.24

-10.25
27 ERPWIFKRRY

3.21

-13.24

-10.03
28 DRPMIFRRRY

2.02

-11.95

-9.93
29 DRPWIFRRRY

2.18

-12.0

-9.82
30 DEPPIFPRRY

3.75

-13.07

-9.32

 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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