Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-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 11.403 ΔGbinding 0.757
TOTAL
 12.160
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.392
Van der Waals -4.022 Backbone clash 0.341
Electrostatics 0.575 Helix dipole 0.000
Solvation Polar 3.283 Water bridges 0.000
Solvation Hyd -6.415 Disulfide 0.000
VdW clashes 2.733 Electrost. Kon 0.718
Entropy sc 0.320 Part.cov.bonds 0.000
Entropy mc

3.172

 ΔGstability

76.422
       

Predicted ligand sequences for model [BBC1_1FYN-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).
 
  BBC1_1FYN-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPPRRSRHG 0.0
2 FPPRKSRHG 0.23
3 FPFRRSRHG 0.23
4 FPYRRSRHG 0.24
5 FPLRRSRHG 0.24
6 FPMRRSRHG 0.24
7 FPPRPSRHG 0.36
8 FPPRRGRHG 0.41
9 FPFRKSRHG 0.46
10 FPMRKSRHG 0.47
11 FPYRKSRHG 0.47
12 FPLRKSRHG 0.48
13 FPPRRSNHG 0.55
14 FPFRPSRHG 0.58
15 FPLRPSRHG 0.6
16 FPYRPSRHG 0.6
17 FPMRPSRHG 0.6
18 FPFRRGRHG 0.63
19 FPYRRGRHG 0.64
20 FPPRKGRHG 0.64
21 FPLRRGRHG 0.65
22 FPMRRGRHG 0.65
23 WPPRRSRHG 0.66
24 FPPRPGRHG 0.76
25 FPPRKSNHG 0.78
26 FPFRRSNHG 0.78
27 FPYRRSNHG 0.79
28 FPMRRSNHG 0.79
29 FPLRRSNHG 0.79
30 FPFRKGRHG 0.86
31 FPLRKGRHG 0.88
32 FPYRKGRHG 0.88
33 FPMRKGRHG 0.88
34 WPFRRSRHG 0.89
35 WPPRKSRHG 0.89
36 WPLRRSRHG 0.9
37 WPMRRSRHG 0.9
38 WPYRRSRHG 0.9
39 FPPRPSNHG 0.91
40 FPPRRGNHG 0.96
41 FPFRPGRHG 0.99
42 FPYRPGRHG 1.0
43 FPMRPGRHG 1.0
44 FPFRKSNHG 1.01
45 FPLRPGRHG 1.01
46 FPMRKSNHG 1.02
47 WPPRPSRHG 1.02
48 FPYRKSNHG 1.02
49 FPLRKSNHG 1.03
50 WPPRRGRHG 1.06
51 WPFRKSRHG 1.12
52 FPFRPSNHG 1.13
53 WPMRKSRHG 1.13
54 WPYRKSRHG 1.13
55 WPLRKSRHG 1.14
56 FPMRPSNHG 1.15
57 FPLRPSNHG 1.15
58 FPYRPSNHG 1.15
59 FPFRRGNHG 1.18
60 FPPRKGNHG 1.19
61 FPYRRGNHG 1.19
62 FPMRRGNHG 1.2
63 FPLRRGNHG 1.2
64 WPPRRSNHG 1.21
65 WPFRPSRHG 1.24
66 WPMRPSRHG 1.26
67 WPLRPSRHG 1.26
68 WPYRPSRHG 1.26
69 WPFRRGRHG 1.29
70 WPYRRGRHG 1.3
71 WPPRKGRHG 1.3
72 WPMRRGRHG 1.31
73 FPPRPGNHG 1.31
74 WPLRRGRHG 1.31
75 FPFRKGNHG 1.41
76 WPPRPGRHG 1.42
77 FPYRKGNHG 1.43
78 FPLRKGNHG 1.43
79 FPMRKGNHG 1.43
80 WPFRRSNHG 1.44
81 WPPRKSNHG 1.44
82 WPLRRSNHG 1.45
83 WPMRRSNHG 1.45
84 WPYRRSNHG 1.45
85 WPFRKGRHG 1.52
86 WPMRKGRHG 1.54
87 FPFRPGNHG 1.54
88 WPLRKGRHG 1.54
89 WPYRKGRHG 1.54
90 FPYRPGNHG 1.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPRRGRHG

6.0

-10.16

-4.16
2 FPPRKGRHG

6.06

-9.69

-3.63
3 FPYRRGRHG

6.44

-9.59

-3.15
4 FPFRRGRHG

6.7

-9.77

-3.07
5 FPLRRGRHG

5.94

-8.64

-2.7
6 FPLRKSRHG

6.89

-9.59

-2.7
7 FPPRKSRHG

6.68

-8.95

-2.27
8 FPPRPGRHG

7.6

-9.75

-2.15
9 FPMRRGRHG

6.79

-8.89

-2.1
10 FPFRKGRHG

6.79

-8.87

-2.08
11 FPYRRSRHG

7.78

-9.62

-1.84
12 FPFRRSRHG

7.79

-9.59

-1.8
13 FPPRKSNHG

6.4

-8.19

-1.79
14 FPFRRSNHG

6.36

-8.14

-1.78
15 FPMRRSRHG

7.84

-9.61

-1.77
16 FPPRPSRHG

8.02

-9.63

-1.61
17 FPMRPSRHG

7.39

-8.99

-1.6
18 FPFRKSRHG

7.48

-9.04

-1.56
19 FPLRRSRHG

8.22

-9.59

-1.37
20 FPYRKSRHG

7.75

-9.01

-1.26
21 FPLRPSRHG

7.78

-8.88

-1.1
22 FPYRPSRHG

7.01

-7.72

-0.71
23 WPPRRSRHG

8.65

-9.34

-0.69
24 FPMRKSRHG

7.95

-8.58

-0.63
25 FPPRRSNHG

8.7

-8.96

-0.26
26 FPFRPSRHG

7.51

-7.3

0.21
27 FPPRRSRHG

8.07

-7.73

0.34
28 FPMRRSNHG

7.79

-7.09

0.7
29 FPYRRSNHG

7.88

-7.11

0.77
30 FPLRRSNHG

8.39

-7.33

1.06

 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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