Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-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 2.698 ΔGbinding -2.202
TOTAL
 0.496
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.238
Van der Waals -2.148 Backbone clash -0.000
Electrostatics -0.106 Helix dipole 0.000
Solvation Polar 2.769 Water bridges 0.000
Solvation Hyd -2.907 Disulfide 0.000
VdW clashes 0.199 Electrost. Kon -0.110
Entropy sc 0.770 Part.cov.bonds 0.000
Entropy mc

1.643

 ΔGstability

59.576
       

Predicted ligand sequences for model [LSB1_1CKB-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).
 
  LSB1_1CKB-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPLMYWY 0.0
2 MPLLYWY 0.08
3 MPLMYWM 0.09
4 MRLMYWY 0.13
5 MPLLYWM 0.17
6 MRLLYWY 0.21
7 MPLMPWY 0.21
8 MRLMYWM 0.22
9 MPLMYFY 0.22
10 MKLMYWY 0.24
11 MPLMRWY 0.26
12 MPLMYWF 0.29
13 MPLLPWY 0.29
14 MPLLYFY 0.3
15 MPLMPWM 0.3
16 MRLLYWM 0.31
17 MKLLYWY 0.32
18 MPLMYFM 0.32
19 MKLMYWM 0.33
20 MPLMYMY 0.34
21 MRLMPWY 0.34
22 MPLLRWY 0.34
23 MRLMYFY 0.35
24 MPLMRWM 0.35
25 MPLLYWF 0.37
26 MPLLPWM 0.39
27 MRLMRWY 0.39
28 MPLLYFM 0.4
29 MKLLYWM 0.41
30 MPLLYMY 0.42
31 MRLMYWF 0.42
32 MRLLPWY 0.43
33 MPLMYMM 0.43
34 MPLLRWM 0.43
35 MPLMPFY 0.44
36 MPIMYWY 0.44
37 MRLMPWM 0.44
38 MRLLYFY 0.44
39 MKLMPWY 0.45
40 MRLMYFM 0.45
41 WPLMYWY 0.45
42 MKLMYFY 0.46
43 MRLLRWY 0.47
44 MRLMYMY 0.47
45 MPLMRFY 0.48
46 MRLMRWM 0.48
47 MKLMRWY 0.49
48 MRLLYWF 0.5
49 MPLMPWF 0.5
50 MPLLYMM 0.51
51 MPLMYFF 0.51
52 MRLLPWM 0.52
53 MPLLPFY 0.52
54 MPILYWY 0.52
55 MKLMYWF 0.52
56 MPLMPFM 0.53
57 MKLLPWY 0.53
58 MPIMYWM 0.53
59 MRLLYFM 0.53
60 WPLLYWY 0.53
61 MKLMPWM 0.54
62 MKLLYFY 0.54
63 WPLMYWM 0.54
64 MPLMRWF 0.54
65 MPLMPMY 0.55
66 MKLMYFM 0.55
67 MRLLYMY 0.55
68 MRLLRWM 0.56
69 MRLMYMM 0.56
70 MPLLRFY 0.56
71 MPLMRFM 0.57
72 MKLMYMY 0.57
73 MRIMYWY 0.57
74 MKLLRWY 0.57
75 MRLMPFY 0.57
76 MPLLPWF 0.58
77 MKLMRWM 0.58
78 WRLMYWY 0.58
79 MPLMRMY 0.59
80 MPLLYFF 0.59
81 MPLLPFM 0.61
82 MPILYWM 0.61
83 MRLMRFY 0.61
84 MKLLYWF 0.61
85 MKLLPWM 0.62
86 WPLLYWM 0.62
87 MPLLPMY 0.63
88 MPLMYMF 0.63
89 MRLMPWF 0.63
90 MKLLYFM 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPLMYMY

2.8

-8.88

-6.08
2 MRLMRWY

3.24

-9.32

-6.08
3 MPLMYFM

2.53

-8.4

-5.87
4 MPLMYFY

3.13

-8.98

-5.85
5 MPLMYWM

2.28

-8.12

-5.84
6 MKLMYWM

2.52

-8.34

-5.82
7 MPLMRWY

3.11

-8.91

-5.8
8 MRLMYFY

3.0

-8.8

-5.8
9 MPLMPWY

3.11

-8.9

-5.79
10 MPLMPWM

2.6

-8.31

-5.71
11 MPLMYWY

3.05

-8.6

-5.55
12 MPLLYMY

2.78

-8.32

-5.54
13 MPLMRWM

3.08

-8.59

-5.51
14 MRLMYWM

2.64

-8.1

-5.46
15 MRLMPWY

2.91

-8.35

-5.44
16 MPLLYFM

2.0

-7.41

-5.41
17 MKLMYWY

3.03

-8.36

-5.33
18 MRLMYWY

3.15

-8.37

-5.22
19 MPLMYWF

2.8

-7.95

-5.15
20 MPLLPWM

2.26

-7.36

-5.1
21 MPLLPWY

2.72

-7.77

-5.05
22 MKLLYWM

2.31

-7.27

-4.96
23 MPLLYWM

2.36

-7.18

-4.82
24 MKLLYWY

2.65

-7.46

-4.81
25 MPLLYFY

2.92

-7.72

-4.8
26 MPLLRWY

3.62

-8.41

-4.79
27 MRLLYWY

3.37

-7.87

-4.5
28 MRLLYWM

2.31

-6.63

-4.32
29 MPLLYWY

2.98

-7.28

-4.3
30 MPLLYWF

3.44

-6.88

-3.44

 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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