Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-19.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
poly-Ala A A
A
A
 A
G
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 7.700 ΔGbinding 0.250
TOTAL
 7.950
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.307
Van der Waals -5.042 Backbone clash 0.010
Electrostatics 0.287 Helix dipole 0.000
Solvation Polar 5.447 Water bridges 0.000
Solvation Hyd -7.249 Disulfide 0.000
VdW clashes 2.488 Electrost. Kon 0.213
Entropy sc 0.674 Part.cov.bonds 0.000
Entropy mc

4.400

 ΔGstability

35.034
       

Predicted ligand sequences for model [LSB1_1CKA-19.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).
 
  LSB1_1CKA-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRSPYGRWM 0.0
2 IRSPYGRWM 0.09
3 KRSPYGRWM 0.11
4 RESPYGRWM 0.13
5 RRSPNGRWM 0.18
6 IESPYGRWM 0.22
7 KESPYGRWM 0.24
8 RRSPYGRHM 0.25
9 RKSPYGRWM 0.26
10 IRSPNGRWM 0.27
11 KRSPNGRWM 0.29
12 RESPNGRWM 0.32
13 RRSPIGRWM 0.32
14 IRSPYGRHM 0.34
15 IKSPYGRWM 0.34
16 KRSPYGRHM 0.36
17 KKSPYGRWM 0.37
18 RESPYGRHM 0.38
19 IESPNGRWM 0.4
20 RRSPYGRKM 0.41
21 RRSIYGRWM 0.41
22 IRSPIGRWM 0.41
23 KRSPIGRWM 0.43
24 KESPNGRWM 0.43
25 RRSPNGRHM 0.43
26 RKSPNGRWM 0.44
27 RESPIGRWM 0.45
28 IESPYGRHM 0.47
29 RRSPYGRWL 0.48
30 KESPYGRHM 0.49
31 IRSIYGRWM 0.49
32 IRSPYGRKM 0.49
33 RRFPYGRWM 0.5
34 RKSPYGRHM 0.51
35 KRSPYGRKM 0.52
36 KRSIYGRWM 0.52
37 IRSPNGRHM 0.52
38 IKSPNGRWM 0.53
39 RESIYGRWM 0.54
40 IESPIGRWM 0.54
41 KRSPNGRHM 0.54
42 RESPYGRKM 0.54
43 KKSPNGRWM 0.55
44 IRSPYGRWL 0.56
45 RESPNGRHM 0.56
46 KESPIGRWM 0.56
47 RRSPIGRHM 0.57
48 IRFPYGRWM 0.58
49 RKSPIGRWM 0.58
50 RRSPNGRKM 0.59
51 RRSINGRWM 0.59
52 IKSPYGRHM 0.59
53 KRSPYGRWL 0.59
54 KRFPYGRWM 0.61
55 RESPYGRWL 0.61
56 KKSPYGRHM 0.62
57 IESPYGRKM 0.63
58 REFPYGRWM 0.63
59 IESIYGRWM 0.63
60 KESIYGRWM 0.65
61 IESPNGRHM 0.65
62 KESPYGRKM 0.65
63 IRSPIGRHM 0.66
64 RKSIYGRWM 0.66
65 RRSPNGRWL 0.66
66 RKSPYGRKM 0.66
67 RRSIYGRHM 0.66
68 IKSPIGRWM 0.67
69 RRFPNGRWM 0.68
70 KRSPIGRHM 0.68
71 KESPNGRHM 0.68
72 IRSINGRWM 0.68
73 IRSPNGRKM 0.68
74 KKSPIGRWM 0.69
75 RKSPNGRHM 0.69
76 RESPIGRHM 0.7
77 KRSINGRWM 0.7
78 IESPYGRWL 0.7
79 KRSPNGRKM 0.7
80 KESPYGRWL 0.72
81 IEFPYGRWM 0.72
82 RESPNGRKM 0.72
83 RESINGRWM 0.72
84 RRSPIGRKM 0.73
85 RRSIIGRWM 0.73
86 RKSPYGRWL 0.73
87 RRSPYGRHL 0.73
88 IRSIYGRHM 0.74
89 KEFPYGRWM 0.74
90 IRSPNGRWL 0.75
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRSPYGRKM

8.64

-10.35

-1.71
2 RRSPYGRHM

7.79

-9.31

-1.52
3 RRSPNGRHM

8.53

-9.8

-1.27
4 RRSPYGRWL

6.52

-7.49

-0.97
5 IRSPIGRWM

6.2

-7.1

-0.9
6 KRSPYGRHM

8.32

-8.83

-0.51
7 RESPYGRHM

8.93

-9.02

-0.09
8 KRSPYGRWM

7.81

-7.83

-0.02
9 RKSPYGRWM

8.26

-8.27

-0.01
10 KESPYGRHM

8.52

-8.21

0.31
11 RKSPNGRWM

8.51

-8.12

0.39
12 RRSPYGRWM

8.49

-8.07

0.42
13 RESPNGRWM

8.42

-7.99

0.43
14 RRSPNGRWM

8.99

-8.48

0.51
15 IRSPYGRHM

8.39

-7.88

0.51
16 IESPYGRHM

7.84

-7.25

0.59
17 RESPIGRWM

8.43

-7.71

0.72
18 KRSPIGRWM

8.41

-7.63

0.78
19 IRSPNGRWM

8.63

-7.77

0.86
20 RRSPIGRWM

9.58

-8.64

0.94
21 RESPYGRWM

8.83

-7.89

0.94
22 IKSPYGRWM

8.27

-7.25

1.02
23 KKSPYGRWM

8.56

-7.51

1.05
24 KESPYGRWM

8.31

-7.14

1.17
25 KRSPNGRWM

8.84

-7.65

1.19
26 KESPNGRWM

8.97

-7.51

1.46
27 IESPNGRWM

7.96

-6.48

1.48
28 IRSPYGRWM

7.9

-6.24

1.66
29 RRSIYGRWM

9.44

-7.66

1.78
30 IESPYGRWM

8.19

-6.19

2.0

 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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