Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-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 9.193 ΔGbinding -4.061
TOTAL
 5.132
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.027
Van der Waals -4.071 Backbone clash 0.097
Electrostatics -0.053 Helix dipole 0.000
Solvation Polar 3.585 Water bridges -0.001
Solvation Hyd -6.562 Disulfide 0.000
VdW clashes 1.211 Electrost. Kon -0.044
Entropy sc 0.360 Part.cov.bonds 0.000
Entropy mc

1.761

 ΔGstability

37.904
       

Predicted ligand sequences for model [BUD14_1CKB-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).
 
  BUD14_1CKB-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPRIWWRHRY 0.0
2 WPRIWWRHRR 0.01
3 WPRIWWRKRY 0.12
4 WPRIWWRKRR 0.13
5 WPRIWWRHRH 0.35
6 WPRIWWRHRW 0.39
7 WPRIWWRKRH 0.46
8 WPRIWWRHRF 0.49
9 WPRIWWRKRW 0.51
10 WPRKWWRHRY 0.54
11 WPRKWWRHRR 0.55
12 KPRIWWRHRY 0.58
13 KPRIWWRHRR 0.59
14 WPRIRWRHRY 0.6
15 WPRIWWRKRF 0.61
16 WPRIRWRHRR 0.61
17 FPRIWWRHRY 0.63
18 FPRIWWRHRR 0.65
19 WPRKWWRKRY 0.65
20 WPRKWWRKRR 0.66
21 KPRIWWRKRY 0.69
22 WPRIRWRKRY 0.71
23 KPRIWWRKRR 0.71
24 WPRIRWRKRR 0.72
25 FPRIWWRKRY 0.75
26 FPRIWWRKRR 0.76
27 WPRKWWRHRH 0.88
28 KPRIWWRHRH 0.93
29 WPRKWWRHRW 0.93
30 WPRIRWRHRH 0.94
31 KPRIWWRHRW 0.97
32 FPRIWWRHRH 0.98
33 WPRIRWRHRW 0.99
34 WPRKWWRKRH 1.0
35 WPRKWWRHRF 1.03
36 FPRIWWRHRW 1.03
37 KPRIWWRKRH 1.04
38 WPRKWWRKRW 1.05
39 WPRIRWRKRH 1.06
40 KPRIWWRHRF 1.07
41 WPRIRWRHRF 1.09
42 KPRIWWRKRW 1.09
43 FPRIWWRKRH 1.1
44 WPRIRWRKRW 1.11
45 KPRKWWRHRY 1.11
46 KPRKWWRHRR 1.12
47 FPRIWWRHRF 1.13
48 WPRKRWRHRY 1.13
49 WPRKRWRHRR 1.14
50 FPRIWWRKRW 1.14
51 WPRKWWRKRF 1.15
52 FPRKWWRHRY 1.17
53 KPRIRWRHRY 1.17
54 FPRKWWRHRR 1.18
55 KPRIWWRKRF 1.19
56 KPRIRWRHRR 1.19
57 WPRIRWRKRF 1.21
58 KPRKWWRKRY 1.23
59 FPRIRWRHRY 1.23
60 FPRIWWRKRF 1.24
61 KPRKWWRKRR 1.24
62 FPRIRWRHRR 1.24
63 WPRKRWRKRY 1.25
64 WPRKRWRKRR 1.26
65 KPRIRWRKRY 1.29
66 FPRKWWRKRY 1.29
67 KPRIRWRKRR 1.3
68 FPRKWWRKRR 1.3
69 FPRIRWRKRY 1.35
70 FPRIRWRKRR 1.36
71 KPRKWWRHRH 1.46
72 WPRKRWRHRH 1.48
73 KPRKWWRHRW 1.51
74 FPRKWWRHRH 1.52
75 KPRIRWRHRH 1.52
76 WPRKRWRHRW 1.53
77 FPRKWWRHRW 1.56
78 KPRIRWRHRW 1.57
79 KPRKWWRKRH 1.58
80 FPRIRWRHRH 1.58
81 WPRKRWRKRH 1.6
82 KPRKWWRHRF 1.61
83 KPRKWWRKRW 1.62
84 FPRIRWRHRW 1.62
85 WPRKRWRHRF 1.62
86 FPRKWWRKRH 1.63
87 KPRIRWRKRH 1.64
88 WPRKRWRKRW 1.64
89 FPRKWWRHRF 1.66
90 KPRIRWRHRF 1.67
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPRIRWRKRR

6.3

-12.44

-6.14
2 KPRIWWRKRY

6.42

-10.37

-3.95
3 WPRIRWRHRH

7.15

-10.95

-3.8
4 WPRIWWRKRR

6.67

-10.23

-3.56
5 WPRIRWRKRY

7.19

-10.75

-3.56
6 WPRIWWRKRH

7.69

-11.12

-3.43
7 WPRIRWRHRR

7.26

-10.6

-3.34
8 WPRKWWRHRY

7.04

-10.37

-3.33
9 WPRIRWRHRY

7.1

-10.19

-3.09
10 WPRIWWRHRY

6.34

-9.27

-2.93
11 KPRIWWRHRR

7.16

-9.99

-2.83
12 WPRIWWRHRF

7.28

-9.68

-2.4
13 WPRKWWRHRR

6.95

-9.2

-2.25
14 FPRIWWRHRY

7.6

-9.54

-1.94
15 WPRIWWRKRY

8.34

-10.11

-1.77
16 KPRIWWRHRH

7.43

-9.15

-1.72
17 WPRKWWRKRY

7.08

-8.51

-1.43
18 WPRKWWRHRW

7.13

-8.43

-1.3
19 FPRIWWRKRY

8.25

-9.45

-1.2
20 KPRIWWRKRR

7.77

-8.5

-0.73
21 WPRKWWRKRR

8.93

-9.4

-0.47
22 WPRIWWRHRR

7.72

-7.9

-0.18
23 WPRKWWRHRH

8.82

-8.93

-0.11
24 FPRIWWRHRR

8.39

-8.26

0.13
25 WPRIWWRHRH

8.12

-7.27

0.85
26 KPRIWWRHRY

8.64

-7.72

0.92
27 WPRIWWRHRW

7.73

-6.8

0.93
28 WPRIWWRKRF

9.07

-8.1

0.97
29 WPRIWWRKRW

9.08

-8.06

1.02
30 FPRIWWRKRR

8.01

-6.9

1.11

 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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