Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-27.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 G 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 10.310 ΔGbinding 3.985
TOTAL
 14.295
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.162
Van der Waals -3.408 Backbone clash 0.063
Electrostatics -0.109 Helix dipole 0.000
Solvation Polar 4.174 Water bridges -0.002
Solvation Hyd -4.698 Disulfide 0.000
VdW clashes 7.342 Electrost. Kon -0.164
Entropy sc 1.091 Part.cov.bonds 0.000
Entropy mc

1.373

 ΔGstability

42.125
       

Predicted ligand sequences for model [BUD14_1CKB-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 YRWGMRIRR 0.0
2 YDWGMRIRR 0.07
3 YRWGMRKRR 0.1
4 RRWGMRIRR 0.15
5 YRPGMRIRR 0.15
6 YDWGMRKRR 0.17
7 YRWGMRIRK 0.21
8 RDWGMRIRR 0.22
9 YDPGMRIRR 0.23
10 YRPGMRKRR 0.25
11 RRWGMRKRR 0.25
12 YDWGMRIRK 0.28
13 KRWGMRIRR 0.29
14 YRWGMRIRH 0.29
15 RRPGMRIRR 0.3
16 YRWGMRIWR 0.31
17 YRWGMKIRR 0.31
18 YRWGMRKRK 0.31
19 RDWGMRKRR 0.32
20 YDPGMRKRR 0.33
21 YRHGMRIRR 0.35
22 RRWGMRIRK 0.35
23 KDWGMRIRR 0.36
24 YRPGMRIRK 0.36
25 YDWGMRIRH 0.37
26 RDPGMRIRR 0.37
27 YDWGMRKRK 0.38
28 YDWGMRIWR 0.39
29 YDWGMKIRR 0.39
30 YRWGMRKRH 0.39
31 KRWGMRKRR 0.39
32 RRPGMRKRR 0.4
33 YRWGMRKWR 0.41
34 YRWGMKKRR 0.42
35 YDPGMRIRK 0.43
36 YDHGMRIRR 0.43
37 RDWGMRIRK 0.43
38 RRWGMRIRH 0.44
39 YRPGMRIRH 0.44
40 KRPGMRIRR 0.44
41 YRHGMRKRR 0.45
42 YRPGMRKRK 0.46
43 RRWGMKIRR 0.46
44 RRWGMRKRK 0.46
45 RRWGMRIWR 0.46
46 YRWGMRRRR 0.46
47 YRPGMRIWR 0.46
48 KDWGMRKRR 0.47
49 YDWGMRKRH 0.47
50 RDPGMRKRR 0.47
51 YRPGMKIRR 0.47
52 YDWGMKKRR 0.49
53 YDWGMRKWR 0.49
54 RRHGMRIRR 0.5
55 YNWGMRIRR 0.5
56 KRWGMRIRK 0.5
57 RRPGMRIRK 0.51
58 RDWGMRIRH 0.51
59 KDPGMRIRR 0.52
60 YRWGMRIWK 0.52
61 YDPGMRIRH 0.52
62 YRWGMKIRK 0.52
63 RDWGMRIWR 0.53
64 RDWGMKIRR 0.53
65 YDWGMRRRR 0.53
66 YDHGMRKRR 0.53
67 RDWGMRKRK 0.53
68 YDPGMRKRK 0.53
69 YRPGMRKRH 0.54
70 RRWGMRKRH 0.54
71 YDPGMKIRR 0.54
72 YDPGMRIWR 0.54
73 KRPGMRKRR 0.54
74 RRWGMKKRR 0.56
75 YRPGMRKWR 0.56
76 YRHGMRIRK 0.56
77 RRWGMRKWR 0.56
78 RDHGMRIRR 0.57
79 YRPGMKKRR 0.57
80 KDWGMRIRK 0.57
81 KRWGMRIRH 0.58
82 RDPGMRIRK 0.58
83 YDWGMRIWK 0.59
84 RRPGMRIRH 0.59
85 YRWGMRIWH 0.6
86 YNWGMRKRR 0.6
87 YDWGMKIRK 0.6
88 RRHGMRKRR 0.6
89 KRWGMRKRK 0.6
90 RRWGMRRRR 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YRWGMRIRR

3.75

-5.88

-2.13
2 YRWGMRIRK

5.3

-7.32

-2.02
3 YDWGMKIRR

3.8

-5.81

-2.01
4 YRWGMRKRH

4.22

-6.22

-2.0
5 YDWGMRIRK

3.58

-5.49

-1.91
6 YDWGMRIRH

4.17

-5.79

-1.62
7 RRWGMRIRK

5.08

-6.45

-1.37
8 YRWGMRIWR

4.6

-5.83

-1.23
9 KDWGMRIRR

5.48

-6.71

-1.23
10 YRPGMRIRR

4.86

-5.86

-1.0
11 RRWGMRIRR

3.95

-4.93

-0.98
12 RDPGMRIRR

4.56

-5.52

-0.96
13 YDWGMRKRR

4.82

-5.74

-0.92
14 YRWGMKIRR

4.92

-5.79

-0.87
15 YRPGMRKRR

4.34

-5.18

-0.84
16 YRPGMRIRK

4.21

-5.01

-0.8
17 RDWGMRIRR

4.95

-5.66

-0.71
18 YRWGMRKRK

4.74

-5.32

-0.58
19 RDWGMRKRR

4.31

-4.81

-0.5
20 YDPGMRIRR

5.96

-6.39

-0.43
21 YDPGMRKRR

6.08

-6.44

-0.36
22 YRWGMRIRH

6.66

-7.02

-0.36
23 YDWGMRIRR

6.5

-6.67

-0.17
24 YRHGMRIRR

5.77

-5.88

-0.11
25 RRPGMRIRR

3.44

-3.52

-0.08
26 YDWGMRIWR

3.64

-3.55

0.09
27 YDWGMRKRK

6.25

-6.08

0.17
28 KRWGMRIRR

5.65

-5.44

0.21
29 YRWGMRKRR

6.05

-5.47

0.58
30 RRWGMRKRR

6.08

-5.25

0.83

 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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