Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-14.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 1.824 ΔGbinding -0.829
TOTAL
 0.995
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.081
Van der Waals -3.013 Backbone clash 0.109
Electrostatics 0.277 Helix dipole 0.000
Solvation Polar 3.081 Water bridges 0.000
Solvation Hyd -4.607 Disulfide 0.000
VdW clashes 0.135 Electrost. Kon 0.430
Entropy sc 0.336 Part.cov.bonds 0.000
Entropy mc

3.725

 ΔGstability

27.967
       

Predicted ligand sequences for model [BUD14_1GCQ-14.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_1GCQ-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 MWPIMNWIR 0.0
2 MWPIMNWWR 0.02
3 MWPIINWIR 0.02
4 MWPIINWWR 0.04
5 MWFIMNWIR 0.04
6 MWPIMNWVR 0.06
7 MWFIINWIR 0.06
8 MWFIMNWWR 0.06
9 MWPIINWVR 0.08
10 MWFIINWWR 0.09
11 MWYIMNWIR 0.09
12 MWFIMNWVR 0.1
13 MWYIMNWWR 0.11
14 MWYIINWIR 0.11
15 MWPIKNWIR 0.12
16 MWPIMNRIR 0.12
17 MWYIINWWR 0.13
18 MWFIINWVR 0.13
19 MWPIINRIR 0.14
20 MWPIKNWWR 0.14
21 MWPIMNRWR 0.14
22 MWYIMNWVR 0.15
23 IWPIMNWIR 0.15
24 MWPIINRWR 0.16
25 MWFIKNWIR 0.16
26 MWFIMNRIR 0.16
27 IWPIMNWWR 0.17
28 IWPIINWIR 0.17
29 MWYIINWVR 0.17
30 MWPIMNRVR 0.18
31 MWFIMNRWR 0.18
32 MWFIINRIR 0.18
33 MWPIKNWVR 0.18
34 MWFIKNWWR 0.19
35 MWPIMNWIM 0.2
36 MWFIINRWR 0.2
37 IWPIINWWR 0.2
38 IWFIMNWIR 0.2
39 MWPIINRVR 0.2
40 MWYIMNRIR 0.2
41 MWYIKNWIR 0.21
42 IWPIMNWVR 0.21
43 MWPIMNWWM 0.22
44 MWYIINRIR 0.22
45 MWFIMNRVR 0.22
46 MWPIINWIM 0.22
47 IWFIINWIR 0.22
48 IWFIMNWWR 0.22
49 MWYIMNRWR 0.23
50 MWFIKNWVR 0.23
51 MWYIKNWWR 0.23
52 IWYIMNWIR 0.24
53 MWPIINWWM 0.24
54 IWFIINWWR 0.24
55 MWFIINRVR 0.24
56 IWPIINWVR 0.24
57 MWFIMNWIM 0.24
58 MWPIKNRIR 0.24
59 MWYIINRWR 0.25
60 IWYIMNWWR 0.26
61 IWYIINWIR 0.26
62 IWFIMNWVR 0.26
63 MWPIMNWVM 0.26
64 MWFIINWIM 0.26
65 MWFIMNWWM 0.26
66 MWPIKNRWR 0.26
67 MWYIKNWVR 0.27
68 MWYIMNRVR 0.27
69 IWPIMNRIR 0.27
70 MWFIKNRIR 0.28
71 IWPIKNWIR 0.28
72 MWPIINWVM 0.28
73 IWYIINWWR 0.28
74 IWFIINWVR 0.28
75 MWYIINRVR 0.29
76 IWPIMNRWR 0.29
77 IWPIINRIR 0.29
78 MWFIINWWM 0.29
79 MWYIMNWIM 0.29
80 MWFIMNWVM 0.3
81 MWFIKNRWR 0.3
82 MWPIKNRVR 0.3
83 IWYIMNWVR 0.3
84 IWPIKNWWR 0.3
85 MWPIMNIIR 0.31
86 IWFIMNRIR 0.31
87 IWPIINRWR 0.31
88 MWYIMNWWM 0.31
89 MWYIINWIM 0.31
90 IWFIKNWIR 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MWPIMNRIR

2.93

-10.53

-7.6
2 MWFIINWWR

2.34

-8.83

-6.49
3 MWPIMNWVR

2.62

-8.89

-6.27
4 MWYIMNWIR

2.77

-8.98

-6.21
5 MWFIINWVR

3.03

-9.18

-6.15
6 MWPIINWWR

2.68

-8.59

-5.91
7 MWFIMNRIR

2.26

-8.06

-5.8
8 MWYIMNWWR

2.61

-8.16

-5.55
9 MWPIKNWWR

2.93

-8.46

-5.53
10 MWYIINWIR

3.44

-8.33

-4.89
11 MWYIINWWR

3.47

-8.32

-4.85
12 MWPIMNRWR

2.8

-7.49

-4.69
13 MWPIINRWR

3.06

-7.45

-4.39
14 MWPIKNWIR

3.29

-7.68

-4.39
15 MWFIMNWWR

2.35

-6.66

-4.31
16 MWFIKNWIR

3.23

-7.54

-4.31
17 IWPIMNWWR

2.18

-6.48

-4.3
18 MWPIMNWWR

2.75

-6.86

-4.11
19 MWYIINWVR

4.33

-8.05

-3.72
20 MWFIMNWIR

4.19

-7.8

-3.61
21 MWFIMNWVR

3.46

-6.85

-3.39
22 IWPIMNWIR

4.68

-8.05

-3.37
23 MWPIINRIR

4.65

-7.88

-3.23
24 MWYIMNWVR

3.9

-7.04

-3.14
25 MWPIMNWIR

4.12

-7.0

-2.88
26 MWPIMNRVR

3.15

-5.82

-2.67
27 MWPIINWVR

4.57

-6.98

-2.41
28 IWPIINWIR

3.84

-5.77

-1.93
29 MWPIINWIR

5.13

-7.06

-1.93
30 MWFIINWIR

4.12

-5.72

-1.6

 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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