Predicted ligand sequences


ADAN-name: 1CKB2.PDB (view again the scoring matrix)

PDB name: [1CKB.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P P V P P R R
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 0.836 ΔGbinding -13.410
TOTAL
 -12.574
Backbone Hb -0.430 Cis_bond 0.000
Sidechain Hb -2.720 Torsional clash 0.050
Van der Waals -7.610 Backbone clash 0.200
Electrostatics -3.390 Helix dipole 0.000
Solvation Polar 6.570 Water bridges -0.110
Solvation Hyd -10.110 Disulfide 0.000
VdW clashes 1.300 Electrost. Kon -1.640
Entropy sc 4.100 Part.cov.bonds 0.000
Entropy mc

0.590

 ΔGstability

-11.980
       

Predicted ligand sequences for template [1CKB2.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).
 
  1CKB2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRIPHRK 0.0
2 RRWIPHRK 0.02
3 RRHIPHRK 0.03
4 RKRIPHRK 0.09
5 RKWIPHRK 0.11
6 RKHIPHRK 0.12
7 RRRIPHRM 0.14
8 RPRIPHRK 0.14
9 RRRIPGRK 0.15
10 RRRIPKRK 0.15
11 RPWIPHRK 0.16
12 RRWIPHRM 0.16
13 RPHIPHRK 0.17
14 RRWIPGRK 0.17
15 RRHIPHRM 0.17
16 RRWIPKRK 0.17
17 RRHIPKRK 0.18
18 RRHIPGRK 0.18
19 RKRIPHRM 0.23
20 RKRIPGRK 0.24
21 RKRIPKRK 0.24
22 RKWIPHRM 0.25
23 RRRVPHRK 0.25
24 RKWIPGRK 0.26
25 RKWIPKRK 0.26
26 RRRIPHRH 0.26
27 RKHIPHRM 0.26
28 RRWVPHRK 0.27
29 RKHIPKRK 0.27
30 RKHIPGRK 0.27
31 RRHVPHRK 0.28
32 RPRIPHRM 0.28
33 RRWIPHRH 0.28
34 RRRIPGRM 0.29
35 RRRIPKRM 0.29
36 RPRIPKRK 0.29
37 RRHIPHRH 0.29
38 RPRIPGRK 0.29
39 RPWIPHRM 0.3
40 RPHIPHRM 0.31
41 RRWIPGRM 0.31
42 RPWIPGRK 0.31
43 RRWIPKRM 0.31
44 RPWIPKRK 0.31
45 RPHIPGRK 0.32
46 RPHIPKRK 0.32
47 RRHIPKRM 0.32
48 RRHIPGRM 0.32
49 RKRVPHRK 0.34
50 RKRIPHRH 0.35
51 RKWVPHRK 0.36
52 RKHVPHRK 0.37
53 RKWIPHRH 0.37
54 RKRIPGRM 0.38
55 RKRIPKRM 0.38
56 RKHIPHRH 0.38
57 RPRVPHRK 0.39
58 RRRVPHRM 0.39
59 RKWIPGRM 0.4
60 RKWIPKRM 0.4
61 RRRVPKRK 0.4
62 RRRVPGRK 0.4
63 RRRIPGRH 0.41
64 RRRIPKRH 0.41
65 RKHIPGRM 0.41
66 RRWVPHRM 0.41
67 RPRIPHRH 0.41
68 RKHIPKRM 0.41
69 RPWVPHRK 0.41
70 RRHVPHRM 0.42
71 RRWVPGRK 0.42
72 RPHVPHRK 0.42
73 RPWIPHRH 0.42
74 RRWVPKRK 0.42
75 RPRIPKRM 0.43
76 RRHVPKRK 0.43
77 RRWIPGRH 0.43
78 RPRIPGRM 0.43
79 RRWIPKRH 0.43
80 RRHVPGRK 0.43
81 RPHIPHRH 0.44
82 RRHIPKRH 0.44
83 RRHIPGRH 0.44
84 RPWIPGRM 0.45
85 RPWIPKRM 0.45
86 RPHIPKRM 0.46
87 RPHIPGRM 0.46
88 RKRVPHRM 0.48
89 RKRVPGRK 0.49
90 RKRVPKRK 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRWIPKRK

1.61

-18.39

-16.78
2 RKWIPHRM

1.31

-17.96

-16.65
3 RRRIPHRK

1.48

-17.85

-16.37
4 RKHIPGRK

1.61

-17.27

-15.66
5 RPRIPHRK

1.18

-16.44

-15.26
6 RRWIPHRK

1.38

-16.4

-15.02
7 RRWIPGRK

1.14

-16.06

-14.92
8 RRRIPKRK

1.41

-16.26

-14.85
9 RRWIPHRM

1.36

-16.2

-14.84
10 RKHIPKRK

1.34

-16.17

-14.83
11 RKRIPHRK

1.23

-15.98

-14.75
12 RRRIPHRM

1.36

-16.07

-14.71
13 RKRIPHRM

1.3

-15.99

-14.69
14 RRRIPHRH

1.96

-16.6

-14.64
15 RRRVPHRK

1.29

-15.9

-14.61
16 RKWIPKRK

1.24

-15.85

-14.61
17 RRHIPKRK

1.41

-16.0

-14.59
18 RRHIPHRM

1.35

-15.92

-14.57
19 RRHIPHRK

1.73

-16.3

-14.57
20 RKWIPGRK

1.19

-15.73

-14.54
21 RPHIPHRK

1.16

-15.7

-14.54
22 RKWIPHRK

1.52

-16.05

-14.53
23 RPWIPHRK

1.73

-16.23

-14.5
24 RRHIPGRK

1.7

-16.09

-14.39
25 RKHIPHRK

1.2

-15.58

-14.38
26 RKHIPHRM

1.22

-15.52

-14.3
27 RKRIPKRK

1.84

-16.1

-14.26
28 RKRIPGRK

1.24

-15.48

-14.24
29 RRRIPGRK

1.43

-15.46

-14.03
30 RRWVPHRK

1.39

-15.3

-13.91

 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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