Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-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 11.022 ΔGbinding -0.876
TOTAL
 10.146
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.009
Van der Waals -3.991 Backbone clash 0.140
Electrostatics -0.061 Helix dipole 0.000
Solvation Polar 3.738 Water bridges -0.001
Solvation Hyd -6.360 Disulfide 0.000
VdW clashes 3.296 Electrost. Kon -0.062
Entropy sc 0.475 Part.cov.bonds 0.000
Entropy mc

2.355

 ΔGstability

39.600
       

Predicted ligand sequences for model [BUD14_1CKA-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_1CKA-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 WSRNWWRKRY 0.0
2 WSRKWWRKRY 0.16
3 WDRNWWRKRY 0.23
4 WSRRWWRKRY 0.24
5 WSRIWWRKRY 0.33
6 WSKNWWRKRY 0.38
7 WDRKWWRKRY 0.4
8 WSRNWWRKRH 0.46
9 KSRNWWRKRY 0.48
10 WDRRWWRKRY 0.48
11 WSRWWWRKRY 0.49
12 VSRNWWRKRY 0.55
13 WSKKWWRKRY 0.55
14 WDRIWWRKRY 0.57
15 WDKNWWRKRY 0.61
16 WSRKWWRKRH 0.62
17 WSKRWWRKRY 0.63
18 KSRKWWRKRY 0.65
19 WDRNWWRKRH 0.69
20 WSRRWWRKRH 0.7
21 VSRKWWRKRY 0.71
22 KDRNWWRKRY 0.72
23 WDRWWWRKRY 0.72
24 WSKIWWRKRY 0.72
25 KSRRWWRKRY 0.73
26 VDRNWWRKRY 0.78
27 WDKKWWRKRY 0.78
28 WSRIWWRKRH 0.79
29 VSRRWWRKRY 0.8
30 KSRIWWRKRY 0.82
31 WSKNWWRKRH 0.84
32 WDRKWWRKRH 0.85
33 WDKRWWRKRY 0.86
34 KSKNWWRKRY 0.87
35 WSKWWWRKRY 0.87
36 VSRIWWRKRY 0.88
37 KDRKWWRKRY 0.88
38 VSKNWWRKRY 0.93
39 KSRNWWRKRH 0.94
40 WDRRWWRKRH 0.94
41 WSRWWWRKRH 0.95
42 VDRKWWRKRY 0.95
43 WDKIWWRKRY 0.95
44 KDRRWWRKRY 0.96
45 KSRWWWRKRY 0.98
46 WSKKWWRKRH 1.0
47 VSRNWWRKRH 1.01
48 WDRIWWRKRH 1.02
49 VDRRWWRKRY 1.03
50 KSKKWWRKRY 1.03
51 VSRWWWRKRY 1.04
52 KDRIWWRKRY 1.05
53 WDKNWWRKRH 1.07
54 WSKRWWRKRH 1.08
55 VSKKWWRKRY 1.1
56 KDKNWWRKRY 1.1
57 WDKWWWRKRY 1.11
58 KSRKWWRKRH 1.11
59 KSKRWWRKRY 1.11
60 VDRIWWRKRY 1.12
61 VDKNWWRKRY 1.16
62 KDRNWWRKRH 1.17
63 WSKIWWRKRH 1.17
64 VSRKWWRKRH 1.17
65 WDRWWWRKRH 1.18
66 VSKRWWRKRY 1.18
67 KSRRWWRKRH 1.19
68 KSKIWWRKRY 1.2
69 KDRWWWRKRY 1.21
70 VDRNWWRKRH 1.24
71 WDKKWWRKRH 1.24
72 VSRRWWRKRH 1.25
73 KDKKWWRKRY 1.26
74 VSKIWWRKRY 1.27
75 VDRWWWRKRY 1.27
76 KSRIWWRKRH 1.28
77 KSKNWWRKRH 1.32
78 WDKRWWRKRH 1.32
79 VDKKWWRKRY 1.33
80 WSKWWWRKRH 1.33
81 KDKRWWRKRY 1.34
82 VSRIWWRKRH 1.34
83 KDRKWWRKRH 1.34
84 KSKWWWRKRY 1.36
85 VSKNWWRKRH 1.39
86 VDRKWWRKRH 1.4
87 VDKRWWRKRY 1.41
88 WDKIWWRKRH 1.41
89 KDRRWWRKRH 1.42
90 VSKWWWRKRY 1.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WSKRWWRKRY

5.32

-9.41

-4.09
2 WSKKWWRKRY

4.38

-7.58

-3.2
3 WSRWWWRKRY

4.46

-7.51

-3.05
4 KSRRWWRKRY

4.44

-7.25

-2.81
5 WSRNWWRKRH

5.6

-8.23

-2.63
6 WSRKWWRKRH

5.18

-7.68

-2.5
7 WDKKWWRKRY

5.36

-7.37

-2.01
8 WSRKWWRKRY

4.98

-6.85

-1.87
9 VSRKWWRKRY

4.02

-5.88

-1.86
10 VSRRWWRKRY

5.82

-7.61

-1.79
11 VSRNWWRKRY

5.42

-7.17

-1.75
12 WSRIWWRKRY

5.28

-7.0

-1.72
13 WSRIWWRKRH

5.12

-6.57

-1.45
14 WSRRWWRKRY

6.01

-7.35

-1.34
15 WSRRWWRKRH

6.04

-7.0

-0.96
16 WSKNWWRKRY

6.35

-7.05

-0.7
17 WSKIWWRKRY

5.84

-6.26

-0.42
18 KSRIWWRKRY

6.01

-6.04

-0.03
19 WSRNWWRKRY

6.18

-6.05

0.13
20 KDRNWWRKRY

6.29

-6.09

0.2
21 WDRKWWRKRY

7.13

-6.91

0.22
22 VDRNWWRKRY

7.4

-6.97

0.43
23 KSRKWWRKRY

6.41

-5.81

0.6
24 WDRNWWRKRH

5.69

-4.85

0.84
25 WDRWWWRKRY

5.55

-3.73

1.82
26 WDKNWWRKRY

7.41

-5.03

2.38
27 WDRRWWRKRY

7.19

-4.38

2.81
28 WDRNWWRKRY

7.2

-3.9

3.3
29 WDRIWWRKRY

6.43

-2.65

3.78
30 KSRNWWRKRY

7.44

-3.17

4.27

 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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