Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-8.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

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 5.280 ΔGbinding -0.662
TOTAL
 4.618
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.522
Van der Waals -2.899 Backbone clash 0.054
Electrostatics 0.391 Helix dipole 0.000
Solvation Polar 2.572 Water bridges -0.105
Solvation Hyd -4.259 Disulfide 0.000
VdW clashes 0.493 Electrost. Kon 0.425
Entropy sc 0.116 Part.cov.bonds 0.000
Entropy mc

2.081

 ΔGstability

34.374
       

Predicted ligand sequences for model [BUD14_1CKB-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 WWRWLYWW 0.0
2 WWRWLFWW 0.01
3 WWRWLYPW 0.02
4 WWRWLFPW 0.03
5 WWRFLYWW 0.03
6 WWRFLFWW 0.04
7 WWRFLFPW 0.06
8 WWRFLYPW 0.06
9 EWRWLYWW 0.09
10 DWRWLYWW 0.09
11 EWRWLFWW 0.1
12 DWRWLFWW 0.1
13 EWRWLYPW 0.11
14 DWRWLYPW 0.12
15 DWRWLFPW 0.12
16 EWRWLFPW 0.12
17 EWRFLYWW 0.12
18 DWRFLYWW 0.12
19 EWRFLFWW 0.13
20 DWRFLFWW 0.13
21 EWRFLYPW 0.15
22 DWRFLYPW 0.15
23 DWRFLFPW 0.15
24 EWRFLFPW 0.15
25 WWRWLWWW 0.18
26 WWRWLWPW 0.2
27 WWRFLWWW 0.21
28 WWRFLWPW 0.24
29 WWRWMYWW 0.26
30 DWRWLWWW 0.27
31 WWRWLFEW 0.27
32 WWRYLFWW 0.27
33 EWRWLWWW 0.27
34 WWRWLYEW 0.27
35 WWRYLYWW 0.27
36 WWRWMFWW 0.27
37 WWRWMYPW 0.28
38 WWRWMFPW 0.29
39 WWRFMYWW 0.29
40 WWRYLYPW 0.29
41 WWRFMFWW 0.3
42 WWRYLFPW 0.3
43 EWRFLWWW 0.3
44 WWRFLFEW 0.3
45 EWRWLWPW 0.3
46 WWRFLYEW 0.3
47 DWRWLWPW 0.3
48 DWRFLWWW 0.31
49 WWRFMYPW 0.32
50 WWRFMFPW 0.32
51 DWRFLWPW 0.33
52 EWRFLWPW 0.33
53 WWRWIFWW 0.35
54 EWRWMYWW 0.35
55 DWRWMYWW 0.35
56 WWRWIYWW 0.35
57 EWRYLYWW 0.36
58 EWRYLFWW 0.36
59 DWRYLFWW 0.36
60 EWRWLYEW 0.36
61 DWRYLYWW 0.36
62 DWRWLYEW 0.36
63 EWRWLFEW 0.36
64 EWRWMFWW 0.36
65 DWRWLFEW 0.36
66 DWRWMFWW 0.36
67 WWRWIYPW 0.37
68 DWRYLYPW 0.38
69 WWRWIFPW 0.38
70 DWRWMFPW 0.38
71 EWRYLYPW 0.38
72 EWRFMYWW 0.38
73 DWRWMYPW 0.38
74 WWRFIYWW 0.38
75 EWRWMYPW 0.38
76 EWRWMFPW 0.38
77 EWRFMFWW 0.39
78 EWRYLFPW 0.39
79 WWRFIFWW 0.39
80 EWRFLYEW 0.39
81 DWRFMFWW 0.39
82 DWRFMYWW 0.39
83 EWRFLFEW 0.39
84 DWRYLFPW 0.39
85 DWRFLYEW 0.39
86 WWRFIYPW 0.4
87 DWRFLFEW 0.4
88 EWRFMFPW 0.41
89 DWRFMYPW 0.41
90 DWRFMFPW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EWRFLYPW

5.14

-8.13

-2.99
2 DWRFLYPW

4.32

-6.72

-2.4
3 DWRWLFPW

4.94

-7.31

-2.37
4 EWRWLYPW

4.57

-6.88

-2.31
5 DWRWLWWW

4.38

-6.62

-2.24
6 DWRWLYWW

4.43

-6.64

-2.21
7 EWRFLYWW

5.04

-7.2

-2.16
8 WWRWLFPW

5.49

-7.57

-2.08
9 WWRFLWWW

5.28

-7.18

-1.9
10 WWRWLFWW

5.16

-6.98

-1.82
11 WWRFLFPW

3.9

-5.52

-1.62
12 WWRFLYWW

4.27

-5.86

-1.59
13 EWRWLFPW

4.47

-5.87

-1.4
14 EWRFLFWW

4.98

-6.37

-1.39
15 DWRFLFWW

5.02

-6.39

-1.37
16 WWRWLYPW

4.96

-6.19

-1.23
17 DWRFLYWW

4.75

-5.95

-1.2
18 DWRWLYPW

5.2

-6.4

-1.2
19 WWRFLFWW

5.6

-6.72

-1.12
20 EWRWLFWW

4.71

-5.72

-1.01
21 DWRWLFWW

4.91

-5.85

-0.94
22 WWRFLWPW

5.46

-6.08

-0.62
23 WWRFLYPW

5.86

-6.36

-0.5
24 WWRWLYWW

5.08

-5.39

-0.31
25 EWRFLFPW

5.35

-5.53

-0.18
26 EWRWLYWW

6.15

-6.03

0.12
27 DWRFLFPW

6.37

-5.63

0.74
28 WWRWMYWW

5.19

0.96

6.15
29 WWRWLWWW

5.01

1.72

6.73
30 WWRWLWPW

5.99

1.02

7.01

 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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