Predicted ligand sequences


ADAN-name: 1BK63.PDB (view again the scoring matrix)

PDB name: [1BK6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K K R K V
position 1 2 3 4 5 6
poly-Ala 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 6.008 ΔGbinding -19.870
TOTAL
 -13.862
Backbone Hb -8.788 Cis_bond 0.000
Sidechain Hb -12.787 Torsional clash 0.705
Van der Waals -12.539 Backbone clash 1.717
Electrostatics -5.349 Helix dipole -0.073
Solvation Polar 21.188 Water bridges -0.043
Solvation Hyd -13.889 Disulfide 0.000
VdW clashes 0.465 Electrost. Kon -2.512
Entropy sc 5.725 Part.cov.bonds 0.000
Entropy mc

8.028

 ΔGstability

-20.698
       

Predicted ligand sequences for template [1BK63.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).
 
  1BK63.PDB  

(data)
# Predicted Sequences Value Calculate
1 MKMHLy 0.0
2 MKMHLM 0.07
3 MKMRLy 0.13
4 MKLHLy 0.13
5 MKWHLy 0.14
6 RKMHLy 0.15
7 MKMHLF 0.19
8 MKLHLM 0.2
9 MKMRLM 0.21
10 MKWHLM 0.21
11 RKMHLM 0.22
12 MKLRLy 0.26
13 RKLHLy 0.27
14 RKMRLy 0.28
15 MKWRLy 0.28
16 RKWHLy 0.29
17 MKLHLF 0.32
18 MKLRLM 0.33
19 MKMRLF 0.33
20 MKWHLF 0.34
21 RKMHLF 0.34
22 RKMRLM 0.35
23 MKWRLM 0.35
24 RKLHLM 0.35
25 RKWHLM 0.36
26 RKLRLy 0.41
27 RKWRLy 0.42
28 MKLRLF 0.45
29 MKMHKy 0.46
30 KKMHLy 0.46
31 MKWRLF 0.47
32 RKLHLF 0.47
33 RKWHLF 0.48
34 RKMRLF 0.48
35 RKLRLM 0.48
36 MKMILy 0.48
37 RKWRLM 0.5
38 MKMHKM 0.53
39 KKMHLM 0.53
40 MKMILM 0.55
41 MKLHKy 0.58
42 KKLHLy 0.58
43 MKMRKy 0.59
44 KKMRLy 0.59
45 KKWHLy 0.6
46 RKLRLF 0.6
47 MKWHKy 0.6
48 MKLILy 0.61
49 RKMHKy 0.61
50 RKWRLF 0.62
51 MKWILy 0.62
52 RKMILy 0.63
53 KKLHLM 0.65
54 MKMHKF 0.65
55 KKMHLF 0.65
56 KKMRLM 0.66
57 MKMRKM 0.66
58 MKLHKM 0.66
59 KKWHLM 0.67
60 MKWHKM 0.67
61 RKMHKM 0.68
62 MKLILM 0.68
63 MKMILF 0.68
64 MKWILM 0.7
65 RKMILM 0.7
66 KKLRLy 0.72
67 MKLRKy 0.72
68 KKWRLy 0.73
69 RKLHKy 0.73
70 MKWRKy 0.74
71 RKMRKy 0.74
72 RKLILy 0.75
73 RKWHKy 0.75
74 RKWILy 0.77
75 KKMRLF 0.78
76 KKLHLF 0.78
77 MKLHKF 0.78
78 KKLRLM 0.79
79 MKLRKM 0.79
80 MKMRKF 0.79
81 KKWHLF 0.79
82 MKWHKF 0.8
83 KKWRLM 0.8
84 RKMHKF 0.8
85 MKLILF 0.8
86 MKWRKM 0.81
87 RKLHKM 0.81
88 RKMRKM 0.81
89 MKWILF 0.82
90 RKWHKM 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RKMRLM

3.97

-20.02

-16.05
2 RKMHLF

4.67

-19.94

-15.27
3 MKLHLF

4.6

-19.76

-15.16
4 RKMHLM

4.46

-19.44

-14.98
5 RKLRLy

4.34

-19.27

-14.93
6 RKWHLM

4.57

-19.45

-14.88
7 MKMHKy

4.98

-19.85

-14.87
8 MKWRLy

4.35

-19.17

-14.82
9 RKLHLy

4.41

-19.2

-14.79
10 MKLRLM

4.26

-18.89

-14.63
11 KKMHLy

4.25

-18.78

-14.53
12 MKMRLF

4.2

-18.65

-14.45
13 MKMRLM

4.43

-18.54

-14.11
14 MKLRLy

4.27

-18.27

-14.0
15 RKMHLy

4.08

-18.07

-13.99
16 RKMRLy

4.36

-18.27

-13.91
17 MKMHLM

4.27

-18.11

-13.84
18 RKWRLy

5.43

-19.23

-13.8
19 RKWHLy

4.17

-17.91

-13.74
20 MKMHLF

5.01

-18.67

-13.66
21 MKMHLy

4.22

-17.83

-13.61
22 MKLRLF

4.19

-17.78

-13.59
23 MKWHLF

4.63

-18.18

-13.55
24 RKLHLM

4.94

-18.45

-13.51
25 MKLHLM

4.24

-17.7

-13.46
26 MKWHLM

4.37

-17.77

-13.4
27 MKMRLy

4.43

-17.74

-13.31
28 MKLHLy

5.04

-17.71

-12.67
29 MKWHLy

4.69

-16.12

-11.43
30 MKWRLM

5.51

-16.7

-11.19

 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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