Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-28.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 11.908 ΔGbinding -0.461
TOTAL
 11.447
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.538
Van der Waals -4.383 Backbone clash 0.157
Electrostatics 0.415 Helix dipole 0.000
Solvation Polar 6.811 Water bridges -0.051
Solvation Hyd -6.220 Disulfide 0.000
VdW clashes 0.390 Electrost. Kon 0.393
Entropy sc 0.517 Part.cov.bonds 0.000
Entropy mc

2.905

 ΔGstability

42.398
       

Predicted ligand sequences for model [BUD14_1CKB-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKMWRNKRV 0.0
2 RRKMWRNRRV 0.07
3 RRKMWPNKRV 0.13
4 RRKMWKNKRV 0.18
5 RRKMWPNRRV 0.19
6 RRKMWRNPRV 0.19
7 RRKMRRNKRV 0.22
8 RRKMWKNRRV 0.25
9 RRKMWRNKRF 0.25
10 RRKMRRNRRV 0.29
11 RRKMWRNKRK 0.29
12 RRKMWPNPRV 0.31
13 RRKMWRNRRF 0.32
14 RRKMRPNKRV 0.35
15 RRKMWRNRRK 0.36
16 RRKMWKNPRV 0.37
17 RRKMWRNKRN 0.37
18 RRKMWPNKRF 0.38
19 RRKMWRNLRV 0.39
20 RRKMRKNKRV 0.4
21 RRKMRPNRRV 0.41
22 RRKMRRNPRV 0.41
23 RRKMWPNKRK 0.42
24 RRKMWKNKRF 0.44
25 RRKMWRNPRF 0.44
26 RRKMWRNRRN 0.44
27 RRKMWPNRRF 0.45
28 RRKMWLNKRV 0.46
29 RRKMWKNKRK 0.47
30 RRKMRKNRRV 0.47
31 RRKMRRNKRF 0.47
32 RRKMWPNRRK 0.48
33 RRKMWRNPRK 0.48
34 RRKMWPNKRN 0.5
35 RRKMWKNRRF 0.5
36 RRKMRRNKRK 0.51
37 RRKMWPNLRV 0.52
38 RRKMRPNPRV 0.53
39 RRKMWLNRRV 0.53
40 RRKMWKNRRK 0.54
41 RRKMRRNRRF 0.54
42 RRKMWKNKRN 0.55
43 RRKMWPNRRN 0.56
44 RRKMWRNPRN 0.56
45 RRKMWKNLRV 0.57
46 RRKMWPNPRF 0.57
47 RRKMRRNRRK 0.58
48 RRKMRKNPRV 0.59
49 RRKMRRNKRN 0.59
50 RRKMWPNPRK 0.6
51 RRKMRPNKRF 0.6
52 RRKMRRNLRV 0.61
53 RRKMWKNRRN 0.62
54 RRKMWKNPRF 0.62
55 RRKMWRNLRF 0.64
56 RRKMRPNKRK 0.64
57 RRKMWLNPRV 0.65
58 RRKMRRNRRN 0.66
59 RRKMRKNKRF 0.66
60 RRKMWKNPRK 0.66
61 RRKMRRNPRF 0.66
62 RRKMRPNRRF 0.67
63 RRKMRLNKRV 0.68
64 RRKMWPNPRN 0.68
65 RRKMWRNLRK 0.68
66 RRKMRKNKRK 0.7
67 RRKMRRNPRK 0.7
68 RRKMRPNRRK 0.71
69 RRKMWLNKRF 0.71
70 RRKMRKNRRF 0.72
71 RRKMRPNKRN 0.72
72 RRKMRPNLRV 0.74
73 RRKMWKNPRN 0.74
74 RRKMRLNRRV 0.75
75 RRKMWLNKRK 0.75
76 RRKMRKNRRK 0.76
77 RRKMWRNLRN 0.76
78 RRKMWPNLRF 0.77
79 RRKMRKNKRN 0.78
80 RRKMWLNRRF 0.78
81 RRKMRPNRRN 0.78
82 RRKMRRNPRN 0.78
83 RRKMRKNLRV 0.79
84 RRKMRPNPRF 0.79
85 RRKMWPNLRK 0.81
86 RRKMWLNRRK 0.82
87 RRKMWLNKRN 0.83
88 RRKMRPNPRK 0.83
89 RRKMWKNLRF 0.83
90 RRKMRKNRRN 0.84
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRKMWRNPRV

4.6

-13.95

-9.35
2 RRKMWPNRRV

5.69

-13.6

-7.91
3 RRKMRPNKRV

4.38

-11.99

-7.61
4 RRKMRRNRRV

4.67

-12.2

-7.53
5 RRKMWKNRRV

4.75

-11.81

-7.06
6 RRKMWKNKRV

4.68

-11.45

-6.77
7 RRKMWKNKRF

4.81

-11.32

-6.51
8 RRKMRRNKRV

5.83

-12.28

-6.45
9 RRKMWPNKRK

5.59

-11.88

-6.29
10 RRKMRKNRRV

4.06

-10.32

-6.26
11 RRKMWRNLRV

3.91

-10.15

-6.24
12 RRKMWLNKRV

6.06

-12.18

-6.12
13 RRKMWRNRRV

6.9

-12.98

-6.08
14 RRKMWPNPRV

5.17

-10.83

-5.66
15 RRKMWRNKRN

6.19

-11.69

-5.5
16 RRKMWRNKRF

7.38

-12.74

-5.36
17 RRKMWRNPRF

6.22

-11.58

-5.36
18 RRKMWRNRRN

4.85

-10.09

-5.24
19 RRKMWPNKRV

5.96

-11.03

-5.07
20 RRKMWRNKRK

6.19

-11.05

-4.86
21 RRKMWRNRRK

6.1

-10.89

-4.79
22 RRKMWPNRRF

5.56

-10.14

-4.58
23 RRKMRRNPRV

4.91

-9.38

-4.47
24 RRKMRKNKRV

5.53

-9.98

-4.45
25 RRKMWKNKRK

6.4

-10.82

-4.42
26 RRKMWKNPRV

4.61

-8.89

-4.28
27 RRKMWRNRRF

5.16

-9.18

-4.02
28 RRKMRPNRRV

5.9

-9.8

-3.9
29 RRKMWPNKRF

5.73

-9.61

-3.88
30 RRKMWRNKRV

6.78

-9.52

-2.74

 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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