Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-12.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala 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 2.017 ΔGbinding -1.477
TOTAL
 0.540
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.252
Van der Waals -1.407 Backbone clash 0.000
Electrostatics -0.051 Helix dipole 0.000
Solvation Polar 1.656 Water bridges 0.000
Solvation Hyd -2.081 Disulfide 0.000
VdW clashes 0.010 Electrost. Kon -0.036
Entropy sc 0.307 Part.cov.bonds 0.000
Entropy mc

1.148

 ΔGstability

30.849
       

Predicted ligand sequences for model [BUD14_1CKB-12.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-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WSMRRNRK 0.0
2 WSMRDNRK 0.01
3 WTMRRNRK 0.03
4 WTMRDNRK 0.04
5 WSMRRNRR 0.04
6 WSMRPNRK 0.05
7 WSMRDNRR 0.05
8 WDMRRNRK 0.05
9 WDMRDNRK 0.06
10 WTMRRNRR 0.07
11 WTMRPNRK 0.08
12 WTMRDNRR 0.08
13 WSMRPNRR 0.08
14 WDMRRNRR 0.08
15 WSWRRNRK 0.1
16 WDMRPNRK 0.1
17 WDMRDNRR 0.1
18 WTMRPNRR 0.11
19 WSWRDNRK 0.12
20 WTWRRNRK 0.13
21 WDMRPNRR 0.13
22 WSWRRNRR 0.14
23 WSWRPNRK 0.15
24 WTWRDNRK 0.15
25 WDWRRNRK 0.15
26 WSWRDNRR 0.15
27 WSMRRMRK 0.16
28 WTWRRNRR 0.17
29 WDWRDNRK 0.17
30 WTWRDNRR 0.18
31 WTWRPNRK 0.18
32 WSMRDMRK 0.18
33 WTMRRMRK 0.19
34 WDWRRNRR 0.19
35 WSWRPNRR 0.19
36 WDWRPNRK 0.2
37 WDWRDNRR 0.2
38 WSMRRMRR 0.2
39 WSMRPMRK 0.21
40 WTMRDMRK 0.21
41 WDMRRMRK 0.21
42 WSMRDMRR 0.21
43 WTWRPNRR 0.22
44 WDMRDMRK 0.23
45 WDWRPNRR 0.23
46 WTMRRMRR 0.23
47 WTMRDMRR 0.24
48 WTMRPMRK 0.24
49 WSMRPMRR 0.25
50 WDMRRMRR 0.25
51 RSMRRNRK 0.26
52 WDMRDMRR 0.26
53 WDMRPMRK 0.26
54 RSMRDNRK 0.27
55 WSWRRMRK 0.27
56 WTMRPMRR 0.28
57 WSWRDMRK 0.28
58 WDMRPMRR 0.29
59 RTMRRNRK 0.29
60 RSMRRNRR 0.3
61 WTWRRMRK 0.3
62 RTMRDNRK 0.3
63 WSWRRMRR 0.3
64 RDMRRNRK 0.31
65 RSMRPNRK 0.31
66 RSMRDNRR 0.31
67 WTWRDMRK 0.31
68 WSWRPMRK 0.31
69 RDMRDNRK 0.32
70 WDWRRMRK 0.32
71 WSWRDMRR 0.32
72 WDWRDMRK 0.33
73 WTWRRMRR 0.33
74 RTMRRNRR 0.33
75 RDMRRNRR 0.34
76 RSMRPNRR 0.34
77 RTMRDNRR 0.34
78 WTWRPMRK 0.34
79 RTMRPNRK 0.34
80 WTWRDMRR 0.35
81 RDMRPNRK 0.35
82 WDWRRMRR 0.35
83 WSWRPMRR 0.35
84 WSMRRNRW 0.35
85 RDMRDNRR 0.36
86 WDWRDMRR 0.36
87 WDWRPMRK 0.36
88 RSWRRNRK 0.36
89 WSMRDNRW 0.36
90 RTMRPNRR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WDMRRNRR

3.2

-7.45

-4.25
2 WTMRRNRK

3.31

-7.52

-4.21
3 WSMRRMRK

4.04

-8.08

-4.04
4 WDMRPNRK

3.98

-7.48

-3.5
5 WTMRDNRR

4.44

-7.94

-3.5
6 WDMRRNRK

4.13

-7.12

-2.99
7 WSMRRNRR

4.08

-6.88

-2.8
8 WSMRRNRK

4.09

-6.82

-2.73
9 WTMRRNRR

4.08

-6.79

-2.71
10 WSWRRNRR

4.68

-7.32

-2.64
11 WSWRDNRR

4.59

-6.8

-2.21
12 WTWRRNRK

4.33

-6.53

-2.2
13 WSWRPNRK

4.34

-6.52

-2.18
14 WTMRDNRK

4.35

-6.52

-2.17
15 WSMRPNRR

3.93

-6.1

-2.17
16 WTMRPNRR

3.93

-6.1

-2.17
17 WDMRDNRR

4.26

-6.42

-2.16
18 WTWRRNRR

4.42

-6.57

-2.15
19 WSMRPNRK

3.86

-6.01

-2.15
20 WTWRDNRK

4.58

-6.68

-2.1
21 WTMRPNRK

3.9

-5.97

-2.07
22 WSWRDNRK

4.57

-6.57

-2.0
23 WSMRDNRR

4.22

-6.13

-1.91
24 WSMRDNRK

4.35

-6.25

-1.9
25 WDMRPNRR

4.0

-5.9

-1.9
26 WDWRDNRK

4.56

-6.45

-1.89
27 WDMRDNRK

4.53

-6.29

-1.76
28 WSWRRNRK

4.0

-5.64

-1.64
29 WDWRRNRK

4.13

-5.14

-1.01
30 WTWRDNRR

4.88

-4.89

-0.01

 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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