Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKA-21.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 10
poly-Ala
A
A
A
A
G
G
 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 3.110 ΔGbinding -0.603
TOTAL
 2.507
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.155
Van der Waals -1.888 Backbone clash 0.067
Electrostatics -0.047 Helix dipole 0.000
Solvation Polar 1.980 Water bridges -0.156
Solvation Hyd -2.720 Disulfide 0.000
VdW clashes 0.364 Electrost. Kon 0.003
Entropy sc 0.028 Part.cov.bonds 0.000
Entropy mc

1.679

 ΔGstability

38.198
       

Predicted ligand sequences for model [BUD14_1CKA-21.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-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWIFGIPTML 0.0
2 RWFFGIPTML 0.02
3 RWIFGFPTML 0.02
4 RWQFGIPTML 0.03
5 RWFFGFPTML 0.04
6 RWIFGRPTML 0.05
7 RWQFGFPTML 0.06
8 KWIFGIPTML 0.06
9 RWIFGIPTMM 0.07
10 KWFFGIPTML 0.07
11 RWFFGRPTML 0.07
12 RWQFGRPTML 0.08
13 KWIFGFPTML 0.08
14 KWQFGIPTML 0.09
15 RWFFGIPTMM 0.09
16 HWIFGIPTML 0.09
17 RWIFGFPTMM 0.09
18 HWFFGIPTML 0.1
19 KWFFGFPTML 0.1
20 RWQFGIPTMM 0.1
21 RWIWGIPTML 0.1
22 KWIFGRPTML 0.11
23 RWFWGIPTML 0.11
24 HWIFGFPTML 0.11
25 RWFFGFPTMM 0.11
26 KWQFGFPTML 0.11
27 RWIFGRPTMM 0.12
28 RWIWGFPTML 0.12
29 HWQFGIPTML 0.12
30 RWIFGIPTMT 0.13
31 RWQFGFPTMM 0.13
32 RWFWGFPTML 0.13
33 HWFFGFPTML 0.13
34 RWQWGIPTML 0.13
35 KWFFGRPTML 0.13
36 KWIFGIPTMM 0.13
37 RWFFGIPTMT 0.14
38 KWQFGRPTML 0.14
39 HWQFGFPTML 0.14
40 RWFFGRPTMM 0.14
41 HWIFGRPTML 0.14
42 KWIWGIPTML 0.15
43 RWIWGRPTML 0.15
44 KWFFGIPTMM 0.15
45 RWQWGFPTML 0.15
46 KWIFGFPTMM 0.15
47 RWIFGFPTMT 0.15
48 RWQFGRPTMM 0.16
49 KWQFGIPTMM 0.16
50 HWIFGIPTMM 0.16
51 HWFFGRPTML 0.16
52 RWFWGRPTML 0.16
53 RWQFGIPTMT 0.16
54 HWFFGIPTMM 0.17
55 KWFFGFPTMM 0.17
56 KWFWGIPTML 0.17
57 HWQFGRPTML 0.17
58 RWFFGFPTMT 0.17
59 RWIWGIPTMM 0.17
60 RWIFGRPTMT 0.18
61 RWQFGFPTMT 0.18
62 RWQWGRPTML 0.18
63 KWIFGRPTMM 0.18
64 RWFWGIPTMM 0.18
65 HWIWGIPTML 0.18
66 HWIFGFPTMM 0.18
67 KWIWGFPTML 0.18
68 RWIWGFPTMM 0.19
69 KWQWGIPTML 0.19
70 KWQFGFPTMM 0.19
71 KWFWGFPTML 0.19
72 KWIFGIPTMT 0.19
73 HWQFGIPTMM 0.19
74 KWFFGIPTMT 0.2
75 HWFWGIPTML 0.2
76 RWFFGRPTMT 0.2
77 HWFFGFPTMM 0.2
78 RWQWGIPTMM 0.2
79 KWFFGRPTMM 0.2
80 RWQFGRPTMT 0.21
81 KWQFGRPTMM 0.21
82 KWQWGFPTML 0.21
83 HWQFGFPTMM 0.21
84 HWIWGFPTML 0.21
85 KWIFGFPTMT 0.21
86 RWFWGFPTMM 0.21
87 KWIWGRPTML 0.21
88 HWIFGRPTMM 0.21
89 KWQFGIPTMT 0.22
90 KWIWGIPTMM 0.22
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HWIFGIPTML

4.37

-6.53

-2.16
2 HWIFGFPTML

4.36

-6.44

-2.08
3 HWFFGIPTML

4.33

-6.22

-1.89
4 HWQFGIPTML

4.19

-5.98

-1.79
5 RWFFGFPTMM

4.99

-6.21

-1.22
6 RWIFGIPTMT

5.11

-6.2

-1.09
7 RWFFGIPTML

5.63

-6.57

-0.94
8 KWIFGRPTML

4.94

-5.77

-0.83
9 RWQFGRPTML

5.17

-5.98

-0.81
10 RWQFGIPTMM

4.95

-5.71

-0.76
11 KWQFGFPTML

5.98

-6.47

-0.49
12 RWIFGRPTMM

4.92

-5.37

-0.45
13 RWIFGIPTMM

5.11

-5.5

-0.39
14 KWFFGFPTML

5.28

-5.65

-0.37
15 RWIFGIPTML

4.96

-5.25

-0.29
16 RWIWGIPTML

4.91

-5.14

-0.23
17 RWQFGIPTML

5.03

-5.25

-0.22
18 RWIFGRPTML

5.02

-5.18

-0.16
19 RWQFGFPTML

5.11

-5.22

-0.11
20 RWIFGFPTMM

4.89

-4.97

-0.08
21 RWFFGFPTML

5.14

-5.13

0.01
22 KWIFGFPTML

5.06

-4.97

0.09
23 RWFFGRPTML

5.23

-5.08

0.15
24 KWIFGIPTML

5.21

-5.02

0.19
25 KWQFGIPTML

5.28

-5.07

0.21
26 RWIFGFPTML

5.1

-4.87

0.23
27 KWFFGIPTML

4.96

-4.71

0.25
28 RWFFGIPTMM

5.71

-5.06

0.65
29 RWIWGFPTML

5.03

-4.34

0.69
30 RWFWGIPTML

5.11

-4.3

0.81

 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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