Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-14.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
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 5.578 ΔGbinding 0.275
TOTAL
 5.853
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.094
Van der Waals -3.171 Backbone clash 0.094
Electrostatics 0.219 Helix dipole 0.000
Solvation Polar 4.053 Water bridges -0.079
Solvation Hyd -4.809 Disulfide 0.000
VdW clashes 0.064 Electrost. Kon 0.331
Entropy sc 0.310 Part.cov.bonds 0.000
Entropy mc

4.538

 ΔGstability

34.080
       

Predicted ligand sequences for model [BUD14_1CKA-14.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).
 
  BUD14_1CKA-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKPIFIKNM 0.0
2 MIPIFIKNM 0.01
3 MKFIFIKNM 0.04
4 MPPIFIKNM 0.05
5 MIFIFIKNM 0.05
6 MKRIFIKNM 0.07
7 MIRIFIKNM 0.08
8 MKPIFIENM 0.08
9 MPFIFIKNM 0.09
10 MIPIFIENM 0.09
11 KKPIFIKNM 0.1
12 KIPIFIKNM 0.11
13 MKFIFIENM 0.12
14 MPRIFIKNM 0.12
15 MPPIFIENM 0.13
16 MIFIFIENM 0.13
17 MKPIFIWNM 0.13
18 MIPIFIWNM 0.14
19 MKRIFIENM 0.14
20 KKFIFIKNM 0.14
21 KIFIFIKNM 0.15
22 MIRIFIENM 0.15
23 KPPIFIKNM 0.15
24 MKPIFIKKM 0.16
25 MIPIFIKKM 0.17
26 MKFIFIWNM 0.17
27 MKPIFIKNN 0.17
28 KKRIFIKNM 0.17
29 MPFIFIENM 0.17
30 MPPIFIWNM 0.18
31 MIPIFIKNN 0.18
32 MIFIFIWNM 0.18
33 KIRIFIKNM 0.18
34 KKPIFIENM 0.18
35 KIPIFIENM 0.19
36 KPFIFIKNM 0.19
37 MPRIFIENM 0.19
38 MKRIFIWNM 0.2
39 MKPFFIKNM 0.2
40 MKFIFIKKM 0.2
41 MIFIFIKKM 0.21
42 MKFIFIKNN 0.21
43 MPPIFIKKM 0.21
44 MIRIFIWNM 0.21
45 MIPFFIKNM 0.21
46 MPPIFIKNN 0.22
47 MPFIFIWNM 0.22
48 KPRIFIKNM 0.22
49 MIFIFIKNN 0.22
50 KKFIFIENM 0.22
51 MKRIFIKNN 0.23
52 KIFIFIENM 0.23
53 KPPIFIENM 0.23
54 MKRIFIKKM 0.23
55 KKPIFIWNM 0.23
56 MIRIFIKKM 0.24
57 MKFFFIKNM 0.24
58 MIRIFIKNN 0.24
59 KIPIFIWNM 0.24
60 MKPIFIEKM 0.24
61 MIPIFIEKM 0.25
62 MIFFFIKNM 0.25
63 MPPFFIKNM 0.25
64 MPFIFIKKM 0.25
65 MPRIFIWNM 0.25
66 MKPIFIENN 0.25
67 KKRIFIENM 0.25
68 KKPIFIKKM 0.26
69 MPFIFIKNN 0.26
70 MIPIFIENN 0.26
71 KIRIFIENM 0.26
72 KPFIFIENM 0.27
73 KIPIFIKKM 0.27
74 MKRFFIKNM 0.27
75 KKPIFIKNN 0.27
76 KKFIFIWNM 0.27
77 KIPIFIKNN 0.28
78 KPPIFIWNM 0.28
79 MKPIFIKRM 0.28
80 MIRFFIKNM 0.28
81 MPRIFIKKM 0.28
82 MPRIFIKNN 0.28
83 MKPFFIENM 0.28
84 MKFIFIEKM 0.28
85 KIFIFIWNM 0.28
86 MIFIFIEKM 0.29
87 MKPIFIWKM 0.29
88 MIPIFIKRM 0.29
89 MIPFFIENM 0.29
90 MPPIFIEKM 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRIFIKNM

3.86

-9.91

-6.05
2 MKRIFIKNM

2.78

-8.18

-5.4
3 MKPIFIWNM

3.46

-8.65

-5.19
4 MKRIFIENM

3.03

-8.13

-5.1
5 MKPIFIKKM

3.18

-8.22

-5.04
6 MIRIFIKNM

3.75

-8.71

-4.96
7 MKPIFIKNN

3.24

-8.09

-4.85
8 MKPIFIENM

3.49

-8.17

-4.68
9 MPFIFIENM

2.79

-7.44

-4.65
10 MIRIFIENM

4.11

-8.74

-4.63
11 MPPIFIWNM

2.94

-7.56

-4.62
12 MPPIFIKNM

3.09

-7.63

-4.54
13 MIFIFIENM

2.77

-7.3

-4.53
14 MPFIFIKNM

2.69

-7.16

-4.47
15 KPPIFIKNM

3.47

-7.78

-4.31
16 MKFIFIWNM

2.65

-6.89

-4.24
17 MPPIFIENM

3.26

-7.34

-4.08
18 MIPIFIKKM

3.21

-7.27

-4.06
19 MKFIFIENM

2.69

-6.7

-4.01
20 MIPIFIENM

3.15

-7.15

-4.0
21 MIFIFIKNM

2.9

-6.86

-3.96
22 MKFIFIKNM

2.72

-6.44

-3.72
23 MIPIFIWNM

3.0

-6.49

-3.49
24 MKPIFIKNM

4.09

-7.58

-3.49
25 KKRIFIKNM

3.19

-6.21

-3.02
26 MIPIFIKNM

3.12

-6.07

-2.95
27 KKPIFIKNM

3.23

-6.1

-2.87
28 KKFIFIKNM

2.9

-5.45

-2.55
29 KIFIFIKNM

2.75

-4.83

-2.08
30 KIPIFIKNM

3.41

-5.2

-1.79

 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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