Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-26.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
poly-Ala 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 9.883 ΔGbinding -1.136
TOTAL
 8.747
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.888 Torsional clash 0.438
Van der Waals -3.054 Backbone clash 0.008
Electrostatics 0.173 Helix dipole 0.000
Solvation Polar 4.120 Water bridges -0.007
Solvation Hyd -4.135 Disulfide 0.000
VdW clashes 0.215 Electrost. Kon 0.268
Entropy sc 0.375 Part.cov.bonds 0.000
Entropy mc

2.245

 ΔGstability

34.320
       

Predicted ligand sequences for model [BUD14_1CKA-26.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_1CKA-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRPMHPH 0.0
2 RRPPPMHPH 0.05
3 KRPRPMHPH 0.07
4 RKPRPMHPH 0.08
5 REPRPMHPH 0.09
6 RRPRPMHPY 0.09
7 RRPRPMHPR 0.09
8 RRPKPMHPH 0.11
9 KRPPPMHPH 0.12
10 RKPPPMHPH 0.13
11 RRPPPMHPY 0.13
12 RRMRPMHPH 0.13
13 RRPRPMGPH 0.14
14 REPPPMHPH 0.14
15 RRPPPMHPR 0.14
16 KRPRPMHPY 0.15
17 KKPRPMHPH 0.15
18 KRPRPMHPR 0.16
19 KEPRPMHPH 0.16
20 RKPRPMHPY 0.16
21 REPRPMHPY 0.17
22 RKPRPMHPR 0.17
23 REPRPMHPR 0.18
24 RRPRPWHPH 0.18
25 KRPKPMHPH 0.18
26 RRMPPMHPH 0.18
27 RKPKPMHPH 0.19
28 RRPRVMHPH 0.19
29 KKPPPMHPH 0.19
30 RRPPPMGPH 0.19
31 RRPKPMHPY 0.2
32 RRPKPMHPR 0.2
33 REPKPMHPH 0.2
34 KRMRPMHPH 0.2
35 KRPPPMHPY 0.2
36 KRPRPMGPH 0.21
37 KEPPPMHPH 0.21
38 RKMRPMHPH 0.21
39 RKPPPMHPR 0.21
40 RKPPPMHPY 0.21
41 RRMRPMHPY 0.21
42 KRPPPMHPR 0.21
43 REMRPMHPH 0.22
44 REPPPMHPY 0.22
45 RRMRPMHPR 0.22
46 RRPRMMHPH 0.22
47 RKPRPMGPH 0.22
48 RRPRPMGPY 0.23
49 RRPRPMGPR 0.23
50 REPPPMHPR 0.23
51 REPRPMGPH 0.23
52 RRPPPWHPH 0.23
53 KKPRPMHPY 0.23
54 RRPPVMHPH 0.23
55 TRPRPMHPH 0.24
56 RRMKPMHPH 0.24
57 KEPRPMHPY 0.24
58 KKPRPMHPR 0.24
59 KRMPPMHPH 0.24
60 RRPKPMGPH 0.25
61 RKMPPMHPH 0.25
62 KRPRVMHPH 0.25
63 KRPRPWHPH 0.25
64 KEPRPMHPR 0.25
65 KRPPPMGPH 0.26
66 RRMPPMHPY 0.26
67 RKPRPWHPH 0.26
68 KKPKPMHPH 0.26
69 RKPRVMHPH 0.26
70 KKMRPMHPH 0.27
71 KEPKPMHPH 0.27
72 RRPRPWHPY 0.27
73 RRPRPWHPR 0.27
74 RRPRVMHPY 0.27
75 RRPPPMGPY 0.27
76 KRPKPMHPY 0.27
77 KRPKPMHPR 0.27
78 RRMPPMHPR 0.27
79 RRPPMMHPH 0.27
80 RKPPPMGPH 0.27
81 REMPPMHPH 0.27
82 RRMRPMGPH 0.27
83 REPRPWHPH 0.27
84 RKPKPMHPR 0.28
85 RKPKPMHPY 0.28
86 RRPRVMHPR 0.28
87 KKPPPMHPY 0.28
88 KKPPPMHPR 0.28
89 RRPPPMGPR 0.28
90 REPRVMHPH 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPRPMHPR

3.23

-7.88

-4.65
2 KRPRPMHPY

3.08

-7.58

-4.5
3 RRPPPMHPR

2.94

-6.92

-3.98
4 RKPPPMHPH

3.33

-7.3

-3.97
5 RRMPPMHPH

2.95

-6.81

-3.86
6 RKPRPMHPR

3.07

-6.56

-3.49
7 RRPRPWHPH

4.37

-7.79

-3.42
8 REPRPMHPY

3.33

-6.7

-3.37
9 RRPRPMHPY

3.49

-6.85

-3.36
10 RRPRPMGPH

3.15

-6.4

-3.25
11 RRPRVMHPH

3.34

-6.5

-3.16
12 RRPRPMHPH

3.7

-6.83

-3.13
13 RRPPPMHPH

4.54

-7.53

-2.99
14 RRPPPMGPH

2.87

-5.79

-2.92
15 KRPRPMHPH

4.55

-7.47

-2.92
16 KEPRPMHPH

3.43

-6.27

-2.84
17 KRPPPMHPH

4.68

-7.36

-2.68
18 RKPKPMHPH

4.66

-7.24

-2.58
19 RRPPPMHPY

4.25

-6.47

-2.22
20 KKPPPMHPH

5.0

-7.21

-2.21
21 REPPPMHPH

4.27

-6.27

-2.0
22 REPRPMHPR

4.55

-6.49

-1.94
23 RKPRPMHPH

4.25

-6.16

-1.91
24 KKPRPMHPH

4.17

-6.04

-1.87
25 RRMRPMHPH

4.81

-6.64

-1.83
26 RKPRPMHPY

4.79

-6.26

-1.47
27 RRPKPMHPH

4.38

-5.54

-1.16
28 REPRPMHPH

4.78

-5.92

-1.14
29 KRPRPMHPR

4.43

-5.53

-1.1
30 KRPKPMHPH

4.23

-5.13

-0.9

 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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