Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-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 3.027 ΔGbinding -0.564
TOTAL
 2.463
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.161
Van der Waals -2.091 Backbone clash 0.088
Electrostatics 0.009 Helix dipole 0.000
Solvation Polar 2.352 Water bridges -0.077
Solvation Hyd -3.050 Disulfide 0.000
VdW clashes 0.424 Electrost. Kon 0.095
Entropy sc 0.266 Part.cov.bonds 0.000
Entropy mc

2.623

 ΔGstability

54.518
       

Predicted ligand sequences for model [BUD14_1SEM-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_1SEM-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWRPGRPTMM 0.0
2 EWRPGRPTMT 0.03
3 EWKPGRPTMM 0.08
4 EWKPGRPTMT 0.11
5 EWIPGRPTMM 0.12
6 EWIPGRPTMT 0.15
7 EWRPGRPTTM 0.16
8 EWRPGRPTTT 0.19
9 EWKPGRPTTM 0.23
10 EWIPGRPTTM 0.27
11 EWKPGRPTTT 0.27
12 EWIPGRPTTT 0.3
13 EWRIGRPTMM 0.3
14 EWRIGRPTMT 0.33
15 EWRPGRPTRM 0.33
16 EWRPGRTTMM 0.35
17 EWRPGRPTMQ 0.36
18 EWRPGRPTRT 0.36
19 EWKIGRPTMM 0.38
20 EWRPGRTTMT 0.39
21 EWRPGRETMM 0.39
22 EWRPGHPTMM 0.4
23 EWKPGRPTRM 0.4
24 EWKIGRPTMT 0.41
25 EWIIGRPTMM 0.41
26 EWRPGRETMT 0.42
27 EWRPGHPTMT 0.43
28 EWKPGRTTMM 0.43
29 EWKPGRPTMQ 0.43
30 EWKPGRPTRT 0.43
31 EWIPGRPTRM 0.44
32 EWIIGRPTMT 0.45
33 EWKPGRTTMT 0.46
34 EWRIGRPTTM 0.46
35 EWIPGRTTMM 0.47
36 EWIPGRPTRT 0.47
37 EWIPGRPTMQ 0.47
38 EWKPGRETMM 0.47
39 EWKPGHPTMM 0.48
40 EWRIGRPTTT 0.49
41 EWKPGRETMT 0.5
42 EWIPGRTTMT 0.5
43 EWRPGRTTTM 0.51
44 EWIPGRETMM 0.51
45 EWKPGHPTMT 0.51
46 EWIPGHPTMM 0.52
47 EWRPGRPTTQ 0.52
48 EWKIGRPTTM 0.53
49 EWRPGRTTTT 0.54
50 EWIPGRETMT 0.54
51 EWRPGRETTM 0.55
52 EWIPGHPTMT 0.55
53 EWRPGHPTTM 0.56
54 EWKIGRPTTT 0.57
55 EWIIGRPTTM 0.57
56 EWRPGRETTT 0.58
57 EWRPGHPTTT 0.59
58 EWKPGRTTTM 0.59
59 EWKPGRPTTQ 0.59
60 EWIIGRPTTT 0.6
61 EWKPGRTTTT 0.62
62 EWRIGRPTRM 0.63
63 EWIPGRPTTQ 0.63
64 EWKPGRETTM 0.63
65 EWIPGRTTTM 0.63
66 EWKPGHPTTM 0.64
67 EWRIGRTTMM 0.65
68 EWRIGRPTRT 0.66
69 EWRIGRPTMQ 0.66
70 EWIPGRTTTT 0.66
71 EWKPGRETTT 0.66
72 EWKPGHPTTT 0.67
73 EWIPGRETTM 0.67
74 EWRPGRTTRM 0.68
75 EWIPGHPTTM 0.68
76 EWRIGRTTMT 0.68
77 EWRPGRPTRQ 0.68
78 EWRIGRETMM 0.69
79 EWKIGRPTRM 0.7
80 EWIPGRETTT 0.7
81 EWRIGHPTMM 0.7
82 EWIPGHPTTT 0.71
83 EWRPGRTTRT 0.71
84 EWRPGRTTMQ 0.71
85 EWRPGRETRM 0.72
86 EWRIGRETMT 0.72
87 EWKIGRPTRT 0.73
88 EWRPGHPTRM 0.73
89 EWKIGRTTMM 0.73
90 EWKIGRPTMQ 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EWKIGRPTMM

2.21

-8.6

-6.39
2 EWRIGRPTMT

2.09

-8.22

-6.13
3 EWIIGRPTMM

3.2

-8.22

-5.02
4 EWRIGRPTMM

3.4

-8.11

-4.71
5 EWKIGRPTMT

3.38

-7.83

-4.45
6 EWRPGHPTMM

2.75

-7.01

-4.26
7 EWKPGRTTMM

2.72

-6.48

-3.76
8 EWKPGRPTMM

2.68

-6.42

-3.74
9 EWIPGRPTMM

2.7

-6.36

-3.66
10 EWRPGRETMM

2.86

-6.52

-3.66
11 EWRPGRPTMM

3.18

-6.71

-3.53
12 EWKPGRPTMQ

2.44

-5.96

-3.52
13 EWKPGRPTMT

2.67

-6.06

-3.39
14 EWRPGRTTMT

2.72

-5.99

-3.27
15 EWRPGRETMT

2.67

-5.93

-3.26
16 EWIPGRPTMT

2.44

-5.62

-3.18
17 EWRPGRPTRM

3.15

-6.28

-3.13
18 EWKPGRPTRM

2.99

-6.09

-3.1
19 EWRPGHPTMT

2.64

-5.72

-3.08
20 EWRPGRTTMM

3.34

-6.41

-3.07
21 EWRPGRPTMT

3.32

-6.38

-3.06
22 EWRPGRPTRT

2.85

-5.69

-2.84
23 EWKPGRPTRT

2.93

-5.18

-2.25
24 EWRPGRPTMQ

3.75

-5.42

-1.67
25 EWKPGRPTTM

3.43

-4.13

-0.7
26 EWIPGRPTTM

3.27

-3.91

-0.64
27 EWRPGRPTTT

3.4

-3.79

-0.39
28 EWRPGRPTTM

3.81

-4.19

-0.38
29 EWKPGRPTTT

3.24

-3.46

-0.22
30 EWIPGRPTTT

3.06

-3.12

-0.06

 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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