Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-13.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 8.085 ΔGbinding -0.899
TOTAL
 7.186
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.915
Van der Waals -2.818 Backbone clash 0.059
Electrostatics 0.157 Helix dipole 0.000
Solvation Polar 3.673 Water bridges -0.053
Solvation Hyd -3.979 Disulfide 0.000
VdW clashes 0.066 Electrost. Kon 0.220
Entropy sc 0.411 Part.cov.bonds 0.000
Entropy mc

2.285

 ΔGstability

34.085
       

Predicted ligand sequences for model [BUD14_1CKB-13.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-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRWLPPFR 0.0
2 HRWLPPFY 0.05
3 HRFLPPFR 0.1
4 HRFLPPFY 0.16
5 HRPLPPFR 0.19
6 HRPLPPFY 0.24
7 HRWMPPFR 0.25
8 HRWMPPFY 0.3
9 HRFMPPFR 0.35
10 HRWLPFFR 0.38
11 HRWLPLFR 0.38
12 HRWLPPWR 0.39
13 HRFMPPFY 0.4
14 MRWLPPFR 0.42
15 HRWLPFFY 0.43
16 HRWLPLFY 0.43
17 HRWLPPWY 0.44
18 HRPMPPFR 0.44
19 MRWLPPFY 0.47
20 HRFLPLFR 0.49
21 HRFLPFFR 0.49
22 HRFLPPWR 0.49
23 HRPMPPFY 0.49
24 MRFLPPFR 0.52
25 HRFLPLFY 0.54
26 HRFLPPWY 0.54
27 HRFLPFFY 0.54
28 MRFLPPFY 0.57
29 HRPLPFFR 0.57
30 HRPLPLFR 0.57
31 HRPLPPWR 0.58
32 MRPLPPFR 0.61
33 HRPLPFFY 0.62
34 HRPLPLFY 0.62
35 HRPLPPWY 0.63
36 HRWMPFFR 0.63
37 HRWMPLFR 0.63
38 HRWMPPWR 0.63
39 MRWMPPFR 0.66
40 MRPLPPFY 0.66
41 HRWMPFFY 0.68
42 HRWMPLFY 0.68
43 HRWMPPWY 0.69
44 MRWMPPFY 0.72
45 HRFMPLFR 0.73
46 HRFMPFFR 0.73
47 HRFMPPWR 0.74
48 MRFMPPFR 0.77
49 HRWLPLWR 0.77
50 HRWLPFWR 0.77
51 HRFMPLFY 0.78
52 HRFMPFFY 0.79
53 HRFMPPWY 0.79
54 MRWLPLFR 0.8
55 MRWLPPWR 0.8
56 MRWLPFFR 0.8
57 HRPMPLFR 0.82
58 MRFMPPFY 0.82
59 HRPMPFFR 0.82
60 HRPMPPWR 0.82
61 HRWLPLWY 0.82
62 HRWLPFWY 0.82
63 MRPMPPFR 0.85
64 MRWLPLFY 0.85
65 MRWLPFFY 0.85
66 MRWLPPWY 0.86
67 HRPMPLFY 0.87
68 HRPMPFFY 0.87
69 HRFLPLWR 0.87
70 HRPMPPWY 0.88
71 HRFLPFWR 0.88
72 MRFLPLFR 0.9
73 MRFLPFFR 0.91
74 MRFLPPWR 0.91
75 MRPMPPFY 0.91
76 HRFLPLWY 0.93
77 HRFLPFWY 0.93
78 MRFLPFFY 0.96
79 HRPLPFWR 0.96
80 HRPLPLWR 0.96
81 MRFLPPWY 0.96
82 MRFLPLFY 0.96
83 MRPLPLFR 0.99
84 MRPLPFFR 0.99
85 MRPLPPWR 0.99
86 HRWMPLWR 1.01
87 HRPLPFWY 1.01
88 HRPLPLWY 1.01
89 HRWMPFWR 1.02
90 MRPLPFFY 1.04
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRWLPPWY

2.81

-12.51

-9.7
2 HRWLPPFY

2.98

-10.92

-7.94
3 HRWLPPWR

3.43

-11.35

-7.92
4 MRWLPPFY

3.38

-11.2

-7.82
5 HRFMPPFY

3.29

-10.99

-7.7
6 HRWLPFFY

3.39

-11.06

-7.67
7 HRFLPPWY

3.9

-11.2

-7.3
8 HRFLPPWR

3.61

-10.66

-7.05
9 HRWMPPFY

4.62

-11.59

-6.97
10 HRFLPFFY

3.49

-10.42

-6.93
11 HRWMPPFR

4.47

-11.36

-6.89
12 MRFLPPFY

3.78

-10.65

-6.87
13 MRWLPPFR

3.66

-10.34

-6.68
14 HRWLPPFR

3.6

-10.15

-6.55
15 MRFLPPFR

3.43

-9.86

-6.43
16 HRPMPPFR

3.71

-10.11

-6.4
17 HRPMPPFY

3.47

-9.68

-6.21
18 HRWLPLFR

3.65

-9.68

-6.03
19 HRPLPLFR

3.43

-9.4

-5.97
20 HRFMPPFR

4.15

-10.11

-5.96
21 HRFLPLFY

3.27

-9.17

-5.9
22 HRFLPPFR

3.66

-9.46

-5.8
23 HRWLPLFY

4.18

-9.97

-5.79
24 HRPLPPFY

3.68

-9.37

-5.69
25 HRWLPFFR

3.61

-9.24

-5.63
26 HRPLPPFR

3.78

-9.4

-5.62
27 HRFLPPFY

3.24

-8.81

-5.57
28 HRFLPFFR

3.73

-8.99

-5.26
29 HRPLPFFR

4.11

-9.16

-5.05
30 HRFLPLFR

3.97

-8.68

-4.71

 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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