Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-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 6.260 ΔGbinding -1.525
TOTAL
 4.735
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.372
Van der Waals -5.037 Backbone clash 0.002
Electrostatics 0.049 Helix dipole 0.000
Solvation Polar 5.388 Water bridges 0.000
Solvation Hyd -7.164 Disulfide 0.000
VdW clashes 1.899 Electrost. Kon -0.040
Entropy sc 0.722 Part.cov.bonds 0.000
Entropy mc

3.561

 ΔGstability

65.735
       

Predicted ligand sequences for model [LSB1_1CKB-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_1CKB-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRSIRGWHI 0.0
2 KRSVRGWHI 0.08
3 KPSIRGWHI 0.19
4 KRSIRGFHI 0.22
5 KPSVRGWHI 0.26
6 KRSVRGFHI 0.3
7 KRSTRGWHI 0.38
8 KRWIRGWHI 0.4
9 IRSIRGWHI 0.41
10 RRSIRGWHI 0.41
11 KPSIRGFHI 0.41
12 KRSIYGWHI 0.41
13 KRSIRGWKI 0.43
14 KRSIRGWMI 0.45
15 KESIRGWHI 0.46
16 KRWVRGWHI 0.47
17 KPSVRGFHI 0.48
18 KRSVYGWHI 0.48
19 RRSVRGWHI 0.48
20 IRSVRGWHI 0.49
21 KRSVRGWKI 0.51
22 KRSVRGWMI 0.53
23 KESVRGWHI 0.54
24 KPSTRGWHI 0.57
25 KPWIRGWHI 0.58
26 RPSIRGWHI 0.59
27 KPSIYGWHI 0.59
28 KRSTRGFHI 0.6
29 IPSIRGWHI 0.6
30 KRWIRGFHI 0.61
31 KPSIRGWKI 0.62
32 RRSIRGFHI 0.62
33 KRSIYGFHI 0.63
34 IRSIRGFHI 0.63
35 KPSIRGWMI 0.64
36 KRSIRGFKI 0.65
37 KPWVRGWHI 0.66
38 RPSVRGWHI 0.67
39 KPSVYGWHI 0.67
40 KRSIRGFMI 0.67
41 IPSVRGWHI 0.68
42 KESIRGFHI 0.68
43 KRWVRGFHI 0.69
44 KRSVYGFHI 0.7
45 RRSVRGFHI 0.7
46 KPSVRGWKI 0.7
47 KPSVRGWMI 0.71
48 IRSVRGFHI 0.71
49 KRSVRGFKI 0.73
50 KRSVRGFMI 0.75
51 KESVRGFHI 0.76
52 KRWTRGWHI 0.78
53 KRSTYGWHI 0.79
54 RRSTRGWHI 0.79
55 IRSTRGWHI 0.79
56 KPSTRGFHI 0.79
57 RRWIRGWHI 0.8
58 KPWIRGFHI 0.8
59 KRWIYGWHI 0.8
60 RRSIYGWHI 0.81
61 KRSTRGWKI 0.81
62 KPSIYGFHI 0.81
63 RPSIRGFHI 0.81
64 IRWIRGWHI 0.81
65 IPSIRGFHI 0.82
66 IRSIYGWHI 0.82
67 KRWIRGWKI 0.83
68 KRSTRGWMI 0.83
69 KRSIYGWKI 0.84
70 KPSIRGFKI 0.84
71 IRSIRGWKI 0.84
72 RRSIRGWKI 0.84
73 KESTRGWHI 0.84
74 KRWIRGWMI 0.85
75 KEWIRGWHI 0.86
76 KPSIRGFMI 0.86
77 KRSIYGWMI 0.86
78 IRSIRGWMI 0.86
79 RRSIRGWMI 0.86
80 RESIRGWHI 0.87
81 KESIYGWHI 0.87
82 KPWVRGFHI 0.88
83 KRWVYGWHI 0.88
84 RRWVRGWHI 0.88
85 IESIRGWHI 0.88
86 RRSVYGWHI 0.89
87 RPSVRGFHI 0.89
88 KPSVYGFHI 0.89
89 IPSVRGFHI 0.89
90 IRWVRGWHI 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPSVRGFHI

4.6

-11.15

-6.55
2 KESVRGWHI

4.2

-10.66

-6.46
3 RPSIRGWHI

5.17

-11.23

-6.06
4 KPSVRGWHI

4.81

-10.58

-5.77
5 KPWIRGWHI

4.97

-10.46

-5.49
6 KESIRGWHI

5.66

-11.01

-5.35
7 KRSVRGWHI

4.72

-10.0

-5.28
8 KRSVRGFHI

5.06

-10.33

-5.27
9 KPSIRGWHI

4.77

-9.92

-5.15
10 KPSIRGFHI

5.71

-10.77

-5.06
11 RRSVRGWHI

5.51

-10.56

-5.05
12 KPSTRGWHI

5.24

-9.85

-4.61
13 IPSIRGWHI

5.32

-9.87

-4.55
14 KRWIRGWHI

5.18

-9.7

-4.52
15 KRSIRGWHI

4.7

-9.16

-4.46
16 KRSVRGWKI

4.69

-8.8

-4.11
17 KRWIRGFHI

5.45

-9.39

-3.94
18 KRWVRGWHI

5.76

-9.69

-3.93
19 KRSVRGWMI

5.3

-9.03

-3.73
20 KRSIRGWKI

4.9

-8.6

-3.7
21 IRSIRGWHI

5.86

-9.42

-3.56
22 KPSIYGWHI

4.94

-8.49

-3.55
23 KRSTRGFHI

4.45

-7.88

-3.43
24 IRSVRGWHI

6.24

-9.62

-3.38
25 KRSIYGWHI

5.47

-8.76

-3.29
26 RRSIRGWHI

5.81

-8.89

-3.08
27 KRSIRGFHI

5.97

-8.28

-2.31
28 KRSIRGWMI

5.74

-8.04

-2.3
29 KRSTRGWHI

5.58

-7.43

-1.85
30 KRSVYGWHI

4.86

-6.68

-1.82

 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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