Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-16.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
G
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 4.253 ΔGbinding 6.096
TOTAL
 10.349
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.293
Van der Waals -3.899 Backbone clash 0.359
Electrostatics 0.251 Helix dipole 0.000
Solvation Polar 4.638 Water bridges -0.090
Solvation Hyd -5.601 Disulfide 0.000
VdW clashes 6.451 Electrost. Kon 0.432
Entropy sc 0.274 Part.cov.bonds 0.000
Entropy mc

3.348

 ΔGstability

35.042
       

Predicted ligand sequences for model [BUD14_1GCQ-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPWRSEQW 0.0
2 MRPWRSEQW 0.04
3 RRPWKSEQW 0.04
4 RRPWPSEQW 0.06
5 MRPWKSEQW 0.08
6 RHPWRSEQW 0.09
7 MRPWPSEQW 0.1
8 MHPWRSEQW 0.13
9 RHPWKSEQW 0.13
10 RRQWRSEQW 0.14
11 RRFWRSEQW 0.15
12 RFPWRSEQW 0.15
13 RHPWPSEQW 0.15
14 MHPWKSEQW 0.17
15 RRQWKSEQW 0.18
16 MRQWRSEQW 0.18
17 MHPWPSEQW 0.19
18 RRFWKSEQW 0.19
19 RFPWKSEQW 0.19
20 MFPWRSEQW 0.2
21 RRQWPSEQW 0.2
22 MRFWRSEQW 0.2
23 RRFWPSEQW 0.21
24 RFPWPSEQW 0.21
25 MRQWKSEQW 0.22
26 MRFWKSEQW 0.23
27 MFPWKSEQW 0.23
28 RHQWRSEQW 0.23
29 MRQWPSEQW 0.24
30 RHFWRSEQW 0.25
31 MRFWPSEQW 0.25
32 MFPWPSEQW 0.25
33 RRPMRSEQW 0.26
34 RHQWKSEQW 0.27
35 MHQWRSEQW 0.28
36 RHFWKSEQW 0.28
37 RRPMKSEQW 0.29
38 MHFWRSEQW 0.29
39 RHQWPSEQW 0.29
40 RHFWPSEQW 0.3
41 RFQWRSEQW 0.3
42 MRPMRSEQW 0.3
43 RFFWRSEQW 0.31
44 MHQWKSEQW 0.31
45 MHFWKSEQW 0.32
46 RRPMPSEQW 0.32
47 MHQWPSEQW 0.33
48 MRPMKSEQW 0.33
49 RFQWKSEQW 0.33
50 RFFWKSEQW 0.34
51 MFQWRSEQW 0.34
52 RFQWPSEQW 0.35
53 RHPMRSEQW 0.35
54 MHFWPSEQW 0.35
55 MFFWRSEQW 0.35
56 MRPMPSEQW 0.36
57 RRPWRGEQW 0.37
58 MFQWKSEQW 0.37
59 RFFWPSEQW 0.37
60 MHPMRSEQW 0.39
61 RHPMKSEQW 0.39
62 MFFWKSEQW 0.39
63 MFQWPSEQW 0.4
64 RRQMRSEQW 0.4
65 RRPWKGEQW 0.41
66 RRFMRSEQW 0.41
67 RHPMPSEQW 0.41
68 RFPMRSEQW 0.41
69 MFFWPSEQW 0.41
70 MRPWRGEQW 0.41
71 RRQMKSEQW 0.43
72 RRPWPGEQW 0.43
73 MHPMKSEQW 0.43
74 MRQMRSEQW 0.44
75 MRFMRSEQW 0.45
76 RFPMKSEQW 0.45
77 RRFMKSEQW 0.45
78 MRPWKGEQW 0.45
79 MFPMRSEQW 0.45
80 MHPMPSEQW 0.45
81 RRPFRSEQW 0.45
82 RRQMPSEQW 0.46
83 RHPWRGEQW 0.46
84 FRPWRSEQW 0.47
85 RFPMPSEQW 0.47
86 MRQMKSEQW 0.47
87 MRPWPGEQW 0.47
88 RRFMPSEQW 0.47
89 RRPFKSEQW 0.48
90 RHQMRSEQW 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MHPWPSEQW

4.95

0.33

5.28
2 RRPWPSEQW

5.18

0.36

5.54
3 MHPWRSEQW

4.75

1.3

6.05
4 RRFWRSEQW

5.59

1.44

7.03
5 MRQWPSEQW

6.16

1.27

7.43
6 RRFWPSEQW

4.87

2.62

7.49
7 MRFWRSEQW

6.06

1.47

7.53
8 RRPWRSEQW

4.77

2.83

7.6
9 RHQWRSEQW

4.22

3.61

7.83
10 MRQWRSEQW

4.28

3.71

7.99
11 MRPWPSEQW

4.97

3.06

8.03
12 MRQWKSEQW

5.81

2.23

8.04
13 RFPWPSEQW

4.21

3.86

8.07
14 MFPWKSEQW

4.96

3.55

8.51
15 MFPWRSEQW

5.79

3.1

8.89
16 RFPWRSEQW

5.42

3.69

9.11
17 RRQWPSEQW

5.43

3.84

9.27
18 MRPWKSEQW

4.75

4.54

9.29
19 RFPWKSEQW

4.88

4.51

9.39
20 RHPWKSEQW

4.26

5.2

9.46
21 RRFWKSEQW

4.16

5.31

9.47
22 RRQWRSEQW

4.32

5.29

9.61
23 MRPWRSEQW

6.25

3.39

9.64
24 RRPWKSEQW

5.67

4.16

9.83
25 RRQWKSEQW

5.77

4.49

10.26
26 RHPWRSEQW

5.38

5.01

10.39
27 RHFWRSEQW

4.56

6.06

10.62
28 RHPWPSEQW

5.35

5.65

11.0
29 MRFWKSEQW

7.42

3.62

11.04
30 MHPWKSEQW

5.52

5.92

11.44

 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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