Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-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 2.601 ΔGbinding -1.682
TOTAL
 0.919
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.284
Van der Waals -2.309 Backbone clash 0.135
Electrostatics -0.252 Helix dipole 0.000
Solvation Polar 2.798 Water bridges -0.007
Solvation Hyd -3.417 Disulfide 0.000
VdW clashes 0.644 Electrost. Kon -0.192
Entropy sc 0.409 Part.cov.bonds 0.000
Entropy mc

1.637

 ΔGstability

32.705
       

Predicted ligand sequences for model [SLA1-D3_1CSK-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).
 
  SLA1-D3_1CSK-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRTRRMM 0.0
2 RRTRPMM 0.09
3 RRTRRRM 0.11
4 RRTRRHM 0.15
5 RRTRKMM 0.2
6 RRTRPRM 0.2
7 RRTRHMM 0.23
8 RRTRPHM 0.24
9 RPTRRMM 0.25
10 RKTRRMM 0.27
11 RRTRKRM 0.31
12 RPTRPMM 0.33
13 RRTRHRM 0.34
14 RRTRKHM 0.35
15 RKTRPMM 0.35
16 RPTRRRM 0.36
17 RKTRRRM 0.38
18 RRTRHHM 0.38
19 RPTRRHM 0.4
20 RRTRRLM 0.42
21 RKTRRHM 0.42
22 RRSRRMM 0.43
23 RPTRKMM 0.45
24 RPTRPRM 0.45
25 RKTRPRM 0.46
26 RKTRKMM 0.46
27 RPTRHMM 0.47
28 RPTRPHM 0.49
29 RKTRHMM 0.49
30 RRTRPLM 0.51
31 RKTRPHM 0.51
32 RRSRPMM 0.52
33 RRSRRRM 0.54
34 RPTRKRM 0.56
35 RKTRKRM 0.57
36 RPTRHRM 0.58
37 RRSRRHM 0.58
38 RKTRHRM 0.6
39 RPTRKHM 0.6
40 RRTRKLM 0.62
41 RKTRKHM 0.62
42 RRSRKMM 0.63
43 RPTRHHM 0.63
44 RRSRPRM 0.63
45 RKTRHHM 0.64
46 RRSRHMM 0.65
47 RRTRHLM 0.65
48 RRSRPHM 0.67
49 RPTRRLM 0.67
50 RPSRRMM 0.68
51 RKSRRMM 0.69
52 RKTRRLM 0.69
53 RRSRKRM 0.74
54 RPSRPMM 0.76
55 RRSRHRM 0.76
56 RPTRPLM 0.76
57 RKTRPLM 0.77
58 RKSRPMM 0.78
59 RRSRKHM 0.78
60 RPSRRRM 0.79
61 RKSRRRM 0.8
62 RRSRHHM 0.81
63 RPSRRHM 0.83
64 RRSRRLM 0.85
65 RKSRRHM 0.85
66 RPTRKLM 0.87
67 RPSRPRM 0.87
68 RPSRKMM 0.87
69 RKSRKMM 0.89
70 RKSRPRM 0.89
71 RKTRKLM 0.89
72 RPSRHMM 0.9
73 RPTRHLM 0.9
74 RKTRHLM 0.91
75 RPSRPHM 0.92
76 RKSRHMM 0.92
77 RKSRPHM 0.93
78 RRSRPLM 0.94
79 RPSRKRM 0.98
80 RKSRKRM 1.0
81 RPSRHRM 1.01
82 RPSRKHM 1.03
83 RKSRHRM 1.03
84 RKSRKHM 1.04
85 RRSRKLM 1.05
86 RPSRHHM 1.05
87 RRSRHLM 1.07
88 RKSRHHM 1.07
89 RPSRRLM 1.1
90 RKSRRLM 1.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKTRRMM

1.68

-10.07

-8.39
2 RKTRHMM

1.71

-9.98

-8.27
3 RRTRPMM

1.87

-10.02

-8.15
4 RRTRKMM

2.37

-10.01

-7.64
5 RRTRRMM

1.97

-9.58

-7.61
6 RKTRPMM

1.93

-9.51

-7.58
7 RPTRRMM

2.09

-9.49

-7.4
8 RRTRHMM

2.03

-9.33

-7.3
9 RPTRKMM

2.07

-9.37

-7.3
10 RKTRKMM

2.04

-9.24

-7.2
11 RKTRPRM

1.63

-8.73

-7.1
12 RRSRRMM

2.01

-8.97

-6.96
13 RRTRRLM

2.01

-8.93

-6.92
14 RPTRHMM

2.34

-9.21

-6.87
15 RRTRPRM

2.05

-8.9

-6.85
16 RRTRRRM

2.19

-8.96

-6.77
17 RPTRPRM

2.04

-8.74

-6.7
18 RPTRPMM

1.87

-8.29

-6.42
19 RPTRRHM

2.17

-8.55

-6.38
20 RKTRRHM

1.91

-8.15

-6.24
21 RPTRPHM

2.0

-8.13

-6.13
22 RRTRHRM

2.1

-8.22

-6.12
23 RPTRRRM

2.62

-8.7

-6.08
24 RRTRHHM

1.66

-7.73

-6.07
25 RRTRKRM

2.24

-8.23

-5.99
26 RKTRRRM

2.36

-8.05

-5.69
27 RRTRPLM

2.4

-8.08

-5.68
28 RRTRRHM

2.26

-7.44

-5.18
29 RRTRKHM

2.06

-7.24

-5.18
30 RRTRPHM

3.06

-7.69

-4.63

 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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