Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-1.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 9.869 ΔGbinding 1.697
TOTAL
 11.566
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.535
Van der Waals -5.170 Backbone clash 0.590
Electrostatics 0.116 Helix dipole 0.000
Solvation Polar 6.188 Water bridges -0.186
Solvation Hyd -7.650 Disulfide 0.000
VdW clashes 4.438 Electrost. Kon 0.054
Entropy sc 1.099 Part.cov.bonds 0.000
Entropy mc

2.548

 ΔGstability

44.030
       

Predicted ligand sequences for model [SLA1-D3_1CSK-1.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-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 GSKKRFMRPY 0.0
2 GSKRRFMRPY 0.01
3 GSRKRFMRPY 0.01
4 GSRRRFMRPY 0.02
5 GSHKRFMRPY 0.13
6 GSHRRFMRPY 0.15
7 GSKKRHMRPY 0.16
8 GSRKRHMRPY 0.18
9 GSKRRHMRPY 0.18
10 GSRRRHMRPY 0.19
11 GSKKRFIRPY 0.22
12 GSKRRFIRPY 0.23
13 GSRKRFIRPY 0.23
14 GSRRRFIRPY 0.24
15 GSKKRFRRPY 0.25
16 GSRKRFRRPY 0.26
17 GSKRRFRRPY 0.26
18 GSRRRFRRPY 0.27
19 GSKKRFMRPW 0.29
20 GSKRRFMRPW 0.3
21 GSRKRFMRPW 0.3
22 GSHKRHMRPY 0.3
23 GSKKRYMRPY 0.3
24 GSRRRFMRPW 0.31
25 GSKRRYMRPY 0.31
26 GSRKRYMRPY 0.31
27 GSHRRHMRPY 0.31
28 GSRRRYMRPY 0.32
29 GSHKRFIRPY 0.35
30 GSHRRFIRPY 0.36
31 GSKKRHIRPY 0.38
32 GSHKRFRRPY 0.38
33 GSKRRHIRPY 0.39
34 GSHRRFRRPY 0.39
35 GSRKRHIRPY 0.39
36 GSRRRHIRPY 0.4
37 GSKKRFMRIY 0.41
38 GSKKRHRRPY 0.41
39 GSRKRFMRIY 0.42
40 GSKRRHRRPY 0.42
41 GSHKRFMRPW 0.42
42 GSKRRFMRIY 0.42
43 GSRKRHRRPY 0.42
44 GSHKRYMRPY 0.43
45 GSRRRHRRPY 0.43
46 GSHRRFMRPW 0.44
47 GSRRRFMRIY 0.44
48 GSKKRHMRPW 0.45
49 GSHRRYMRPY 0.45
50 GSRKRHMRPW 0.46
51 GSKRRHMRPW 0.47
52 GSKIRFMRPY 0.47
53 GSRIRFMRPY 0.48
54 GSRRRHMRPW 0.48
55 GSKKRFMRPR 0.48
56 GSRKRFMRPR 0.49
57 GSKRRFMRPR 0.49
58 GSRRRFMRPR 0.51
59 GSHKRHIRPY 0.51
60 GSKKRFIRPW 0.51
61 GSKKRYIRPY 0.52
62 GSKRRFIRPW 0.52
63 GSRKRFIRPW 0.52
64 GSRKRYIRPY 0.53
65 GSKRRYIRPY 0.53
66 GSHRRHIRPY 0.53
67 GSRRRFIRPW 0.53
68 GSRRRYIRPY 0.54
69 GSKKRFRRPW 0.54
70 GSHKRHRRPY 0.54
71 GSKKRYRRPY 0.55
72 GSHKRFMRIY 0.55
73 GSRKRFRRPW 0.55
74 GSKRRFRRPW 0.55
75 GSHRRHRRPY 0.56
76 GSRKRYRRPY 0.56
77 GSKRRYRRPY 0.56
78 GSRRRFRRPW 0.56
79 GSHRRFMRIY 0.56
80 GSRRRYRRPY 0.57
81 GSKKRHMRIY 0.58
82 GSHKRHMRPW 0.59
83 GSRKRHMRIY 0.59
84 GSKKRYMRPW 0.59
85 GSKRRHMRIY 0.59
86 GSKRRYMRPW 0.6
87 GSRRRHMRIY 0.6
88 GSRKRYMRPW 0.6
89 GSHIRFMRPY 0.6
90 GSHRRHMRPW 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 GSRRRFMRPY

4.5

-11.77

-7.27
2 GSRKRHMRPY

5.27

-12.09

-6.82
3 GSHRRFIRPY

4.85

-11.64

-6.79
4 GSRRRYMRPY

5.24

-12.0

-6.76
5 GSHKRHMRPY

5.45

-12.19

-6.74
6 GSKRRFMRPY

5.37

-11.69

-6.32
7 GSHKRFIRPY

5.39

-11.53

-6.14
8 GSKRRYMRPY

5.41

-11.35

-5.94
9 GSKKRHMRPY

4.88

-10.76

-5.88
10 GSRRRFIRPY

4.1

-9.9

-5.8
11 GSRRRHMRPY

5.42

-11.15

-5.73
12 GSHKRFMRPY

4.73

-9.95

-5.22
13 GSKKRFIRPY

5.23

-10.42

-5.19
14 GSKRRHMRPY

4.83

-9.92

-5.09
15 GSRRRFRRPY

4.95

-9.94

-4.99
16 GSHRRHMRPY

5.68

-10.59

-4.91
17 GSKRRFRRPY

4.96

-9.57

-4.61
18 GSRKRFIRPY

6.48

-11.08

-4.6
19 GSRKRFRRPY

4.85

-9.42

-4.57
20 GSKRRFMRPW

5.32

-9.84

-4.52
21 GSKKRYMRPY

5.23

-9.6

-4.37
22 GSRKRYMRPY

4.81

-9.11

-4.3
23 GSRRRFMRPW

4.83

-8.89

-4.06
24 GSHRRFMRPY

5.41

-9.45

-4.04
25 GSKKRFMRPY

4.82

-8.77

-3.95
26 GSKRRFIRPY

6.23

-9.88

-3.65
27 GSRKRFMRPY

4.91

-8.28

-3.37
28 GSKKRFRRPY

5.84

-8.93

-3.09
29 GSKKRFMRPW

5.36

-8.27

-2.91
30 GSRKRFMRPW

5.89

-8.64

-2.75

 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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